#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nit s ALA 3 N 0.00 2.48 -0.73 5.13 0.00 -1.26 -5.00 121.76 122.38 1nit s ALA 3 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1nit s ALA 3 Cb 0.00 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.97 1nit s ALA 3 CO 0.00 -1.23 0.66 1.63 0.00 0.00 0.00 175.76 176.82 1nit n LYS 4 N -2.13 2.29 -3.88 0.00 5.02 -1.26 -4.94 118.16 113.25 1nit n LYS 4 Ca 0.11 -4.56 -0.36 0.00 -2.02 0.00 0.00 58.31 51.49 1nit n LYS 4 Cb 0.51 -2.31 -0.12 0.00 -0.02 0.00 0.00 35.03 33.10 1nit n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nit s VAL 5 N -1.85 4.41 0.57 -0.18 1.01 -1.26 -5.03 120.40 118.06 1nit s VAL 5 Ca 0.31 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1nit s VAL 5 Cb 0.02 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1nit s VAL 5 CO -0.10 0.38 1.11 0.00 0.00 0.00 0.00 175.10 176.49 1nit s ALA 6 N 1.20 2.65 0.33 5.51 0.00 -1.26 -0.88 121.76 129.31 1nit s ALA 6 Ca 0.04 0.71 0.20 0.00 0.00 0.00 0.00 51.96 52.92 1nit s ALA 6 Cb -0.14 -3.33 0.99 0.00 0.00 0.00 0.00 23.12 20.63 1nit s ALA 6 CO 0.03 -0.87 1.90 0.52 0.00 0.00 0.00 175.76 177.34 1nit h MET 7 N 0.88 0.00 -2.75 0.00 2.86 -0.73 -3.43 114.93 111.75 1nit h MET 7 Ca -0.49 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.24 1nit h MET 7 Cb 1.25 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.87 1nit h MET 7 CO 0.56 0.27 0.36 -1.54 1.06 0.00 0.00 176.91 177.62 1nit s SER 8 N -6.51 -0.14 0.27 1.22 1.04 -1.26 -4.78 113.70 103.54 1nit s SER 8 Ca -0.02 -0.68 0.24 0.00 0.48 0.00 0.00 55.95 55.97 1nit s SER 8 Cb 0.13 0.66 0.99 0.00 0.10 0.00 0.00 66.02 67.90 1nit s SER 8 CO 0.66 -1.26 1.73 1.41 0.98 0.00 0.00 173.24 176.76 1nit n HIS 9 N -0.51 0.86 0.94 5.02 -0.00 -1.26 -2.96 115.22 117.31 1nit n HIS 9 Ca -0.05 0.33 0.10 0.00 -0.00 0.00 0.00 57.72 58.10 1nit n HIS 9 Cb 0.60 -1.04 -0.09 0.00 -0.00 0.00 0.00 29.99 29.46 1nit n HIS 9 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1nit n PHE 10 N -2.28 0.01 -3.53 4.41 3.72 -1.26 -4.57 117.46 113.96 1nit n PHE 10 Ca 0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.16 1nit n PHE 10 Cb 0.24 -0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1nit n PHE 10 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nit n GLU 11 N -1.55 1.57 0.06 -1.08 1.02 -1.15 -4.96 120.64 114.54 1nit n GLU 11 Ca 0.04 -4.09 0.08 0.00 -0.02 0.00 0.00 57.16 53.16 1nit n GLU 11 Cb 0.35 -1.98 0.34 0.00 -0.02 0.00 0.00 31.44 30.13 1nit n GLU 11 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1nit n PRO 12 N 1.66 0.07 -0.00 3.49 -0.04 -1.26 -1.94 135.00 136.97 1nit n PRO 12 Ca 0.25 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 64.19 1nit n PRO 12 Cb 0.42 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 1nit n PRO 12 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1nit n HIS 13 N -1.80 0.00 -3.28 0.54 1.44 -1.26 -4.67 115.22 106.19 1nit n HIS 13 Ca 0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.30 1nit n HIS 13 Cb 0.14 -0.18 -0.08 0.00 0.12 0.00 0.00 29.99 29.99 1nit n HIS 13 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1nit s GLU 14 N -3.00 3.11 0.13 -1.40 0.41 -0.82 -5.05 118.70 112.08 1nit s GLU 14 Ca 0.01 -0.80 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 1nit s GLU 14 Cb 0.13 -4.01 -0.06 0.00 -1.78 0.00 0.00 34.13 28.41 1nit s GLU 14 CO 0.78 -0.95 0.49 0.71 -0.49 0.00 0.00 175.26 175.80 1nit s TYR 15 N 2.25 3.59 0.26 1.61 2.02 -1.26 -0.19 117.35 125.62 1nit s TYR 15 Ca 0.13 0.94 -0.30 0.00 -0.37 0.00 0.00 57.07 57.47 1nit s TYR 15 Cb -0.18 -2.28 -0.10 0.00 -0.40 0.00 0.00 41.96 39.00 1nit s TYR 15 CO 0.13 0.45 1.39 0.42 -1.57 0.00 0.00 175.55 176.37 1nit s ILE 16 N -1.46 2.77 -0.76 2.71 1.01 -0.06 -4.79 121.20 120.62 1nit s ILE 16 Ca 0.37 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.71 1nit s ILE 16 Cb -0.14 -3.43 0.29 0.00 0.01 0.00 0.00 42.46 39.19 1nit s ILE 16 CO 0.19 0.12 1.08 0.54 0.00 0.00 0.00 174.94 176.87 1nit n ARG 17 N 2.03 3.48 0.24 2.79 5.12 -1.26 -4.78 116.66 124.28 1nit n ARG 17 Ca 0.05 -4.71 0.12 0.00 -1.93 0.00 0.00 57.85 51.38 1nit n ARG 17 Cb 0.41 -2.33 0.58 0.00 -1.16 0.00 0.00 32.46 29.96 1nit n ARG 17 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1nit h TYR 18 N 4.10 0.00 -0.48 -1.55 0.05 -1.98 -2.18 116.97 114.93 1nit h TYR 18 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1nit h TYR 18 Cb 0.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1nit h TYR 18 CO 0.89 0.17 0.26 0.38 -1.05 0.00 0.00 178.16 178.81 1nit h ASP 19 N 0.00 0.60 -0.21 3.88 2.03 -1.99 0.75 116.42 121.48 1nit h ASP 19 Ca -0.00 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.19 1nit h ASP 19 Cb 0.59 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 1nit h ASP 19 CO 0.02 0.52 0.07 -0.07 -1.03 0.00 0.00 179.24 178.75 1nit h LEU 20 N 0.63 0.30 -0.51 0.15 -0.00 -1.88 -0.80 115.31 113.20 1nit h LEU 20 Ca 0.17 -0.19 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 1nit h LEU 20 Cb 0.05 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 1nit h LEU 20 CO -0.03 0.41 0.25 0.25 -0.00 0.00 0.00 178.44 179.32 1nit h LEU 21 N 0.18 0.34 -0.15 1.67 5.85 -1.07 -0.75 115.31 121.37 1nit h LEU 21 Ca 0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1nit h LEU 21 Cb 0.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1nit h LEU 21 CO -0.00 0.23 0.05 -0.08 -0.34 0.00 0.00 178.44 178.30 1nit h GLU 22 N 0.48 0.24 -0.60 1.25 4.81 -0.69 -1.46 114.58 118.61 1nit h GLU 22 Ca 0.23 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1nit h GLU 22 Cb 0.16 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1nit h GLU 22 CO -0.17 0.36 0.27 -0.22 -0.73 0.00 0.00 179.01 178.52 1nit h LYS 23 N 0.07 0.48 -0.28 1.92 3.64 -0.95 -0.93 116.57 120.52 1nit h LYS 23 Ca 0.05 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1nit h LYS 23 Cb 0.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1nit h LYS 23 CO -0.00 0.32 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.17 1nit h ASN 24 N 0.49 0.73 -0.65 4.20 2.35 -0.89 -2.24 115.58 119.56 1nit h ASN 24 Ca 0.29 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1nit h ASN 24 Cb 0.28 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1nit h ASN 24 CO -0.24 1.05 0.41 0.40 -1.65 0.00 0.00 177.43 177.40 1nit h ILE 25 N 0.55 1.18 -0.35 2.81 2.04 -0.79 -1.91 117.51 121.05 1nit h ILE 25 Ca 0.04 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.37 1nit h ILE 25 Cb 0.95 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1nit h ILE 25 CO 0.09 0.18 -0.43 0.44 0.00 0.00 0.00 178.15 178.43 1nit h ASP 26 N 0.89 0.95 -0.58 1.72 3.32 -1.16 0.88 116.42 122.44 1nit h ASP 26 Ca 0.24 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1nit h ASP 26 Cb -0.06 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 1nit h ASP 26 CO -0.05 1.24 0.31 0.40 -1.72 0.00 0.00 179.24 179.42 1nit h ILE 27 N 0.71 0.96 -0.25 0.35 2.04 -1.17 -2.83 117.51 117.32 1nit h ILE 27 Ca 0.05 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1nit h ILE 27 Cb 1.02 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1nit h ILE 27 CO 0.10 0.11 -0.35 0.58 0.00 0.00 0.00 178.15 178.58 1nit h VAL 28 N 0.58 1.31 0.00 1.67 2.07 -1.14 -2.96 116.25 117.78 1nit h VAL 28 Ca 0.26 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1nit h VAL 28 Cb 0.16 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1nit h VAL 28 CO -0.17 0.49 0.00 0.08 0.02 0.00 0.00 177.57 177.99 1nit h ARG 29 N 0.41 0.00 0.00 1.57 0.11 -0.82 -0.67 114.38 114.98 1nit h ARG 29 Ca 0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 1nit h ARG 29 Cb 0.94 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 1nit h ARG 29 CO 0.08 0.00 -0.05 0.87 0.10 0.00 0.00 179.97 180.98 1nit h LYS 30 N 0.00 0.00 0.18 0.08 6.56 -1.34 -0.57 116.57 121.47 1nit h LYS 30 Ca 0.00 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.25 1nit h LYS 30 Cb 0.66 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.32 1nit h LYS 30 CO 0.00 0.05 -1.72 0.00 -2.06 0.00 0.00 179.45 175.72 1nit h ARG 31 N 0.00 0.38 0.00 3.15 3.08 -1.08 -3.39 114.38 116.51 1nit h ARG 31 Ca -0.00 -0.64 -0.16 0.00 0.07 0.00 0.00 59.98 59.24 1nit h ARG 31 Cb 0.81 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1nit h ARG 31 CO 0.01 1.31 -1.49 1.28 -1.07 0.00 0.00 179.97 180.01 1nit n LEU 32 N -3.64 0.76 -4.06 3.04 4.77 -0.38 -4.96 117.00 112.53 1nit n LEU 32 Ca -0.25 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 1nit n LEU 32 Cb 1.05 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 42.20 1nit n LEU 32 CO 0.50 0.14 -0.22 0.59 -1.33 0.00 0.00 177.39 177.07 1nit n ASN 33 N -2.84 -0.76 -3.80 -1.43 3.02 -0.23 -4.96 115.26 104.25 1nit n ASN 33 Ca -0.10 -1.04 -0.10 0.00 -0.03 0.00 0.00 54.58 53.30 1nit n ASN 33 Cb 0.83 -2.80 -0.07 0.00 -0.61 0.00 0.00 39.78 37.13 1nit n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nit s ARG 34 N -6.74 0.83 0.53 3.52 1.70 -1.26 -5.13 118.95 112.40 1nit s ARG 34 Ca 0.16 -0.75 -0.22 0.00 -0.47 0.00 0.00 55.73 54.44 1nit s ARG 34 Cb -0.09 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 1nit s ARG 34 CO 0.91 -0.27 1.35 -2.14 -1.08 0.00 0.00 175.30 174.07 1nit s PRO 35 N -3.27 3.23 -0.10 3.89 0.02 -1.26 -4.96 135.00 132.54 1nit s PRO 35 Ca 0.00 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 1nit s PRO 35 Cb 0.02 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 1nit s PRO 35 CO -0.08 -1.11 -0.04 -0.51 -0.33 0.00 0.00 177.00 174.93 1nit s LEU 36 N -3.42 3.31 1.05 -5.54 1.43 -1.26 -4.54 118.68 109.71 1nit s LEU 36 Ca 0.70 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1nit s LEU 36 Cb -0.40 -1.76 0.22 0.00 0.03 0.00 0.00 46.19 44.28 1nit s LEU 36 CO 0.47 0.30 1.08 0.42 0.23 0.00 0.00 176.35 178.85 1nit s THR 37 N -0.43 2.03 0.25 5.49 -4.23 -1.26 -1.82 115.64 115.66 1nit s THR 37 Ca 0.07 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1nit s THR 37 Cb -0.12 -2.39 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1nit s THR 37 CO 0.02 -0.01 1.87 0.25 -0.54 0.00 0.00 174.62 176.21 1nit h LEU 38 N -2.11 0.96 -0.75 4.79 5.85 -1.90 -1.29 115.31 120.86 1nit h LEU 38 Ca -0.57 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.03 1nit h LEU 38 Cb 1.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1nit h LEU 38 CO 0.56 0.62 -0.51 0.77 -0.34 0.00 0.00 178.44 179.54 1nit h SER 39 N 1.10 0.31 -0.47 1.25 4.64 -1.96 -2.13 113.55 116.29 1nit h SER 39 Ca 0.40 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1nit h SER 39 Cb 0.14 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1nit h SER 39 CO -0.16 0.77 0.11 -0.33 -0.87 0.00 0.00 176.83 176.35 1nit h GLU 40 N 0.23 0.76 -0.72 4.77 5.08 -1.86 0.12 114.58 122.95 1nit h GLU 40 Ca 0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1nit h GLU 40 Cb 0.98 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1nit h GLU 40 CO 0.08 0.75 0.47 0.87 -1.00 0.00 0.00 179.01 180.18 1nit h LYS 41 N 0.64 0.96 0.08 2.33 1.57 -0.69 0.85 116.57 122.31 1nit h LYS 41 Ca 0.15 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 1nit h LYS 41 Cb 0.33 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.46 1nit h LYS 41 CO 0.00 0.65 -0.99 0.82 -0.57 0.00 0.00 179.45 179.36 1nit h ILE 42 N 0.98 1.36 0.13 1.86 2.04 -1.23 -0.31 117.51 122.33 1nit h ILE 42 Ca 0.26 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 1nit h ILE 42 Cb -0.09 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1nit h ILE 42 CO -0.06 0.70 -0.06 0.58 0.00 0.00 0.00 178.15 179.31 1nit h VAL 43 N 0.08 1.04 0.00 1.67 2.07 -0.93 -2.87 116.25 117.31 1nit h VAL 43 Ca -0.15 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1nit h VAL 43 Cb 1.70 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1nit h VAL 43 CO 0.19 0.21 -0.12 1.88 0.02 0.00 0.00 177.57 179.76 1nit h TYR 44 N -0.64 0.00 0.00 1.57 0.05 -0.92 -1.06 116.97 115.98 1nit h TYR 44 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1nit h TYR 44 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1nit h TYR 44 CO 0.07 0.12 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 1nit n GLY 45 N -0.04 -1.19 0.95 3.88 0.00 -0.13 -2.09 105.19 106.56 1nit n GLY 45 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nit n GLY 45 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nit n HIS 46 N -1.97 0.85 -1.97 1.61 8.25 -0.40 -4.42 115.22 117.16 1nit n HIS 46 Ca 0.03 -0.64 -0.39 0.00 -0.26 0.00 0.00 57.72 56.46 1nit n HIS 46 Cb 0.21 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1nit n HIS 46 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nit s LEU 47 N -1.73 4.16 0.18 2.41 1.43 -0.89 -0.81 118.68 123.42 1nit s LEU 47 Ca 0.36 2.72 -0.08 0.00 -1.03 0.00 0.00 54.13 56.10 1nit s LEU 47 Cb 0.24 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 42.58 1nit s LEU 47 CO 0.16 -0.99 1.58 -0.78 0.23 0.00 0.00 176.35 176.56 1nit h ASP 48 N 2.48 0.95 -2.52 2.29 3.58 -1.30 -3.39 116.42 118.50 1nit h ASP 48 Ca -0.50 -0.35 -0.59 0.00 0.42 0.00 0.00 57.03 56.01 1nit h ASP 48 Cb 1.25 -0.26 -0.39 0.00 1.72 0.00 0.00 39.33 41.66 1nit h ASP 48 CO 0.62 1.12 -0.91 -0.62 -2.88 0.00 0.00 179.24 176.57 1nit s ASP 49 N -6.72 2.10 0.50 2.28 2.15 -1.26 -4.98 116.67 110.74 1nit s ASP 49 Ca -0.11 -2.94 0.27 0.00 0.43 0.00 0.00 52.55 50.20 1nit s ASP 49 Cb 0.13 -0.56 1.33 0.00 -0.30 0.00 0.00 42.92 43.52 1nit s ASP 49 CO 0.86 -0.19 2.01 1.55 -0.17 0.00 0.00 175.17 179.23 1nit h PRO 50 N 5.94 0.00 -0.07 4.34 0.13 -1.91 -0.53 132.00 139.89 1nit h PRO 50 Ca 0.20 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.17 1nit h PRO 50 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1nit h PRO 50 CO 0.38 0.14 -0.66 0.00 -0.23 0.00 0.00 178.00 177.63 1nit h ALA 51 N 1.86 0.73 0.00 -0.56 0.00 -1.94 -3.38 119.26 115.98 1nit h ALA 51 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nit h ALA 51 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nit h ALA 51 CO 0.02 0.76 -0.98 0.09 0.00 0.00 0.00 179.25 179.14 1nit n ASN 52 N -3.84 2.56 -4.62 0.00 3.02 -1.01 -5.01 115.26 106.36 1nit n ASN 52 Ca -0.03 -0.20 -0.51 0.00 -0.03 0.00 0.00 54.58 53.81 1nit n ASN 52 Cb 0.66 1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 40.97 1nit n ASN 52 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1nit n GLN 53 N -1.54 1.38 -2.52 3.52 -0.06 -0.24 -4.93 117.38 113.00 1nit n GLN 53 Ca -0.00 0.50 -0.42 0.00 -2.00 0.00 0.00 57.00 55.07 1nit n GLN 53 Cb 0.14 -2.18 -0.03 0.00 -4.06 0.00 0.00 30.24 24.12 1nit n GLN 53 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1nit s GLU 54 N 0.98 4.36 -0.29 3.69 2.02 -1.26 -5.01 118.70 123.18 1nit s GLU 54 Ca 0.85 1.60 0.02 0.00 0.02 0.00 0.00 54.97 57.46 1nit s GLU 54 Cb -0.90 -3.57 0.07 0.00 0.10 0.00 0.00 34.13 29.82 1nit s GLU 54 CO 0.47 -0.44 -0.05 0.42 0.02 0.00 0.00 175.26 175.67 1nit s ILE 55 N 2.30 2.39 -0.09 -1.63 1.01 -1.26 -4.75 121.20 119.17 1nit s ILE 55 Ca 0.54 -1.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1nit s ILE 55 Cb -0.23 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.82 1nit s ILE 55 CO 0.20 -0.16 0.17 -1.61 0.00 0.00 0.00 174.94 173.54 1nit s GLU 56 N 1.10 0.06 0.25 2.79 2.02 -1.26 -5.01 118.70 118.65 1nit s GLU 56 Ca -0.05 0.56 -0.31 0.00 0.02 0.00 0.00 54.97 55.19 1nit s GLU 56 Cb -0.20 -0.22 -0.12 0.00 0.10 0.00 0.00 34.13 33.68 1nit s GLU 56 CO -0.05 -0.28 1.59 0.54 0.02 0.00 0.00 175.26 177.08 1nit n ARG 57 N 5.13 2.54 -0.56 1.61 1.74 -1.26 -0.89 116.66 124.96 1nit n ARG 57 Ca -0.09 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1nit n ARG 57 Cb 0.50 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 1nit n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nit n GLY 58 N 2.74 1.62 0.46 -0.13 0.00 0.10 -4.80 105.19 105.18 1nit n GLY 58 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1nit n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nit n LYS 59 N -2.00 0.00 -3.38 1.61 5.02 -0.07 -4.90 118.16 114.44 1nit n LYS 59 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1nit n LYS 59 Cb 0.00 -0.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 1nit n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1nit s THR 60 N -1.75 5.07 -0.21 -0.18 -4.23 -0.95 -4.86 115.64 108.53 1nit s THR 60 Ca 0.00 -0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.22 1nit s THR 60 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1nit s THR 60 CO 0.00 -0.38 0.33 -0.31 -0.54 0.00 0.00 174.62 173.72 1nit s TYR 61 N -2.14 3.36 0.08 3.99 2.02 -1.26 -0.07 117.35 123.33 1nit s TYR 61 Ca 0.42 0.51 -0.15 0.00 -0.37 0.00 0.00 57.07 57.49 1nit s TYR 61 Cb -0.10 -2.45 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1nit s TYR 61 CO 0.32 0.02 0.50 -0.51 -1.57 0.00 0.00 175.55 174.30 1nit s LEU 62 N 1.22 4.42 -0.27 -1.29 1.43 0.73 -4.86 118.68 120.05 1nit s LEU 62 Ca 0.16 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.25 1nit s LEU 62 Cb -0.14 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 1nit s LEU 62 CO 0.07 0.21 0.07 -0.13 0.23 0.00 0.00 176.35 176.79 1nit s ARG 63 N -1.54 3.32 0.20 1.70 0.52 -1.26 -0.94 118.95 120.96 1nit s ARG 63 Ca 0.32 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 54.92 1nit s ARG 63 Cb -0.16 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1nit s ARG 63 CO 0.18 -0.33 -0.17 -0.51 0.02 0.00 0.00 175.30 174.48 1nit s LEU 64 N 1.54 2.51 -0.60 2.53 1.43 0.13 -0.87 118.68 125.34 1nit s LEU 64 Ca 0.04 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1nit s LEU 64 Cb -0.16 -0.83 0.15 0.00 0.03 0.00 0.00 46.19 45.38 1nit s LEU 64 CO 0.02 -0.07 0.37 -0.13 0.23 0.00 0.00 176.35 176.77 1nit s ARG 65 N -3.22 2.18 0.69 1.70 1.81 0.01 -1.22 118.95 120.89 1nit s ARG 65 Ca 0.21 -2.94 -0.17 0.00 -1.72 0.00 0.00 55.73 51.11 1nit s ARG 65 Cb -0.04 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.13 1nit s ARG 65 CO 0.08 -1.19 1.15 -2.30 -0.68 0.00 0.00 175.30 172.36 1nit n PRO 66 N 2.60 0.78 0.05 3.54 -0.02 -1.26 -4.92 135.00 135.77 1nit n PRO 66 Ca 0.12 0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 1nit n PRO 66 Cb 0.33 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 1nit n PRO 66 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nit h ASP 67 N 0.10 0.09 -4.94 2.55 3.32 -1.08 -3.49 116.42 112.98 1nit h ASP 67 Ca -0.49 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1nit h ASP 67 Cb 1.34 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.73 1nit h ASP 67 CO 0.50 1.09 0.25 0.00 -1.72 0.00 0.00 179.24 179.37 1nit s ARG 68 N -2.67 1.20 -0.05 3.56 1.70 -1.24 -4.24 118.95 117.21 1nit s ARG 68 Ca -0.02 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.87 1nit s ARG 68 Cb 0.09 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 35.01 1nit s ARG 68 CO 0.83 -0.52 -0.25 0.08 -1.08 0.00 0.00 175.30 174.36 1nit s VAL 69 N -3.59 2.10 -0.03 4.99 1.01 -0.39 -2.28 120.40 122.23 1nit s VAL 69 Ca 0.01 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1nit s VAL 69 Cb -0.01 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1nit s VAL 69 CO -0.12 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 1nit s ALA 70 N -0.22 1.21 0.00 5.51 0.00 -0.77 -1.56 121.76 125.95 1nit s ALA 70 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1nit s ALA 70 Cb -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1nit s ALA 70 CO 0.03 0.25 -0.14 -1.64 0.00 0.00 0.00 175.76 174.26 1nit s MET 71 N -0.07 1.08 0.23 0.00 -1.94 0.26 -1.93 119.30 116.93 1nit s MET 71 Ca 0.00 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.45 1nit s MET 71 Cb -0.08 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.66 1nit s MET 71 CO 0.01 0.28 0.28 1.14 -0.01 0.00 0.00 175.02 176.71 1nit s GLN 72 N -0.58 3.22 0.10 2.03 1.03 -1.26 -0.36 119.66 123.84 1nit s GLN 72 Ca 0.04 -0.85 0.18 0.00 0.04 0.00 0.00 55.36 54.77 1nit s GLN 72 Cb -0.06 -2.77 0.75 0.00 0.03 0.00 0.00 33.01 30.96 1nit s GLN 72 CO 0.00 0.44 1.55 -0.40 -2.54 0.00 0.00 175.29 174.33 1nit n ASP 73 N -1.13 0.27 0.10 12.60 5.75 0.49 -0.42 116.55 134.20 1nit n ASP 73 Ca -0.08 0.57 0.13 0.00 -0.01 0.00 0.00 54.79 55.39 1nit n ASP 73 Cb 0.57 -0.62 0.35 0.00 -1.03 0.00 0.00 41.12 40.38 1nit n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nit n ALA 74 N -1.61 2.42 0.00 2.12 0.00 -1.26 -3.94 120.51 118.24 1nit n ALA 74 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nit n ALA 74 Cb 0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 1nit n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nit n THR 75 N -2.25 0.00 0.20 0.00 -2.24 -0.81 -4.63 114.28 104.55 1nit n THR 75 Ca 0.05 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1nit n THR 75 Cb 0.43 0.72 0.44 0.00 -2.10 0.00 0.00 70.33 69.82 1nit n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nit h ALA 76 N 0.00 1.30 -0.28 6.98 0.00 -0.86 -2.74 119.26 123.67 1nit h ALA 76 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1nit h ALA 76 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nit h ALA 76 CO 0.00 0.39 0.01 1.96 0.00 0.00 0.00 179.25 181.61 1nit h GLN 77 N 0.00 0.48 0.00 0.00 4.20 -1.82 0.73 115.11 118.70 1nit h GLN 77 Ca -0.00 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 1nit h GLN 77 Cb 0.63 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1nit h GLN 77 CO 0.04 0.63 -0.75 1.98 -0.67 0.00 0.00 178.83 180.05 1nit h MET 78 N 0.27 0.00 -0.34 1.46 4.05 -1.73 -0.14 114.93 118.50 1nit h MET 78 Ca 0.08 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1nit h MET 78 Cb 0.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1nit h MET 78 CO 0.01 0.75 -0.12 0.00 0.23 0.00 0.00 176.91 177.79 1nit h ALA 79 N 1.25 0.47 -0.12 0.39 0.00 -1.27 -1.18 119.26 118.79 1nit h ALA 79 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1nit h ALA 79 Cb 1.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1nit h ALA 79 CO 0.10 0.35 -0.56 0.52 0.00 0.00 0.00 179.25 179.65 1nit h MET 80 N 0.46 0.38 -0.59 0.00 2.07 -0.71 -0.24 114.93 116.29 1nit h MET 80 Ca 0.08 -0.24 -0.06 0.00 -2.07 0.00 0.00 59.70 57.41 1nit h MET 80 Cb 0.64 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.37 1nit h MET 80 CO 0.04 0.84 0.12 -0.07 1.07 0.00 0.00 176.91 178.91 1nit h LEU 81 N 0.29 0.89 -0.61 1.22 3.38 -0.89 0.47 115.31 120.05 1nit h LEU 81 Ca 0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1nit h LEU 81 Cb 1.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1nit h LEU 81 CO 0.10 0.88 -0.51 1.56 0.09 0.00 0.00 178.44 180.55 1nit h GLN 82 N 0.90 0.48 -0.58 1.13 4.20 -1.01 -1.65 115.11 118.57 1nit h GLN 82 Ca 0.19 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1nit h GLN 82 Cb 0.36 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1nit h GLN 82 CO 0.00 0.88 0.03 0.35 -0.67 0.00 0.00 178.83 179.42 1nit h PHE 83 N 0.37 1.10 -0.59 2.96 3.57 -0.63 -2.08 116.94 121.65 1nit h PHE 83 Ca 0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1nit h PHE 83 Cb 1.03 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1nit h PHE 83 CO 0.04 0.97 0.37 0.82 -2.23 0.00 0.00 178.31 178.28 1nit h ILE 84 N 0.91 1.17 0.00 1.41 2.04 -0.88 -1.43 117.51 120.72 1nit h ILE 84 Ca 0.17 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1nit h ILE 84 Cb 0.52 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1nit h ILE 84 CO 0.02 0.17 -0.04 0.28 0.00 0.00 0.00 178.15 178.58 1nit h SER 85 N 0.80 0.00 0.40 1.72 0.02 -0.85 -2.67 113.55 112.96 1nit h SER 85 Ca 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1nit h SER 85 Cb -0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1nit h SER 85 CO -0.04 0.04 -0.25 0.77 -1.14 0.00 0.00 176.83 176.21 1nit h SER 86 N 0.00 0.00 0.00 3.07 4.64 -0.58 -3.46 113.55 117.22 1nit h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nit h SER 86 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nit h SER 86 CO 0.01 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1nit n GLY 87 N -0.55 1.17 3.77 -0.77 0.00 -1.01 -4.93 105.19 102.87 1nit n GLY 87 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1nit n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nit s LEU 88 N 0.00 4.36 0.34 0.99 1.43 -1.26 -4.98 118.68 119.56 1nit s LEU 88 Ca 0.00 2.40 0.21 0.00 -1.03 0.00 0.00 54.13 55.71 1nit s LEU 88 Cb 0.00 -3.81 0.19 0.00 0.03 0.00 0.00 46.19 42.59 1nit s LEU 88 CO 0.00 -0.47 1.41 1.55 0.23 0.00 0.00 176.35 179.07 1nit h PRO 89 N 3.18 0.00 -2.13 1.29 0.13 -1.96 -3.47 132.00 129.04 1nit h PRO 89 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1nit h PRO 89 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1nit h PRO 89 CO 0.65 0.12 0.18 0.21 -0.23 0.00 0.00 178.00 178.92 1nit s LYS 90 N -3.18 1.07 0.45 0.86 2.47 -1.26 -4.59 119.74 115.56 1nit s LYS 90 Ca 0.04 0.17 -0.22 0.00 -1.56 0.00 0.00 55.97 54.40 1nit s LYS 90 Cb 0.07 0.50 -0.08 0.00 -1.46 0.00 0.00 37.83 36.86 1nit s LYS 90 CO 0.72 -0.35 1.06 0.14 0.16 0.00 0.00 175.35 177.08 1nit s VAL 91 N -1.45 3.64 -0.55 4.02 -7.23 -0.37 -4.87 120.40 113.59 1nit s VAL 91 Ca -0.10 1.15 0.23 0.00 -1.81 0.00 0.00 61.98 61.45 1nit s VAL 91 Cb -0.00 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1nit s VAL 91 CO 0.08 -0.10 1.17 0.00 -0.31 0.00 0.00 175.10 175.93 1nit n ALA 92 N -0.55 2.99 -2.33 1.32 0.00 0.46 -4.91 120.51 117.49 1nit n ALA 92 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1nit n ALA 92 Cb 0.51 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1nit n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1nit s VAL 93 N -3.22 1.24 -0.18 0.00 -7.23 -1.26 -4.98 120.40 104.77 1nit s VAL 93 Ca 0.04 -1.97 -0.40 0.00 -1.81 0.00 0.00 61.98 57.84 1nit s VAL 93 Cb 0.13 -1.76 -0.17 0.00 0.56 0.00 0.00 36.38 35.14 1nit s VAL 93 CO 0.76 -0.65 1.56 -2.65 -0.31 0.00 0.00 175.10 173.81 1nit n PRO 94 N -0.01 0.92 -3.92 4.82 -0.02 -1.26 -4.82 135.00 130.70 1nit n PRO 94 Ca -0.11 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1nit n PRO 94 Cb 0.60 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 1nit n PRO 94 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1nit s SER 95 N 2.33 0.12 0.07 2.55 0.01 -1.26 -1.26 113.70 116.28 1nit s SER 95 Ca 0.95 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 58.04 1nit s SER 95 Cb -1.11 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1nit s SER 95 CO 0.62 -0.12 -0.10 0.42 0.41 0.00 0.00 173.24 174.48 1nit s THR 96 N -0.58 0.79 -0.06 1.44 -4.23 -0.60 -1.69 115.64 110.71 1nit s THR 96 Ca -0.06 -1.38 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1nit s THR 96 Cb -0.04 -1.03 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1nit s THR 96 CO -0.00 -0.45 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.85 1nit s ILE 97 N -1.89 3.05 -0.14 2.99 1.01 0.56 -0.57 121.20 126.21 1nit s ILE 97 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1nit s ILE 97 Cb -0.06 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1nit s ILE 97 CO 0.00 0.58 -0.18 -1.00 0.00 0.00 0.00 174.94 174.34 1nit s HIS 98 N -0.54 2.40 -0.83 3.97 3.76 0.51 -0.62 115.29 123.94 1nit s HIS 98 Ca 0.08 -1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 53.60 1nit s HIS 98 Cb -0.12 -1.68 0.21 0.00 1.11 0.00 0.00 32.58 32.10 1nit s HIS 98 CO 0.01 -0.61 0.79 0.00 -0.85 0.00 0.00 174.74 174.09 1nit n ASP 100 N 4.27 0.28 -0.20 0.00 5.75 -1.26 -4.08 116.55 121.31 1nit n ASP 100 Ca 0.14 -0.16 0.11 0.00 -0.01 0.00 0.00 54.79 54.86 1nit n ASP 100 Cb 0.47 0.38 0.05 0.00 -1.03 0.00 0.00 41.12 40.99 1nit n ASP 100 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1nit n HIS 101 N -0.41 0.00 -0.41 2.11 8.25 -1.26 -1.46 115.22 122.04 1nit n HIS 101 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1nit n HIS 101 Cb 0.00 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.15 1nit n HIS 101 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nit n LEU 102 N -0.88 2.53 -4.44 2.41 4.77 -1.26 -4.82 117.00 115.32 1nit n LEU 102 Ca 0.07 -2.37 -0.44 0.00 -0.03 0.00 0.00 56.01 53.24 1nit n LEU 102 Cb 0.38 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1nit n LEU 102 CO 0.34 0.62 0.02 -0.63 -1.33 0.00 0.00 177.39 176.42 1nit s ILE 103 N -1.66 5.20 0.05 -0.08 1.01 -1.26 -4.89 121.20 119.58 1nit s ILE 103 Ca 0.18 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1nit s ILE 103 Cb 0.13 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1nit s ILE 103 CO 0.05 -0.46 1.02 -0.70 0.00 0.00 0.00 174.94 174.85 1nit s GLU 104 N 1.80 4.58 -0.12 2.79 2.12 -1.26 -4.03 118.70 124.57 1nit s GLU 104 Ca 0.06 1.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.61 1nit s GLU 104 Cb -0.21 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 1nit s GLU 104 CO 0.09 -0.00 1.08 0.00 -0.54 0.00 0.00 175.26 175.89 1nit s ALA 105 N 0.64 3.50 0.38 6.30 0.00 0.20 -4.79 121.76 127.99 1nit s ALA 105 Ca 0.52 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1nit s ALA 105 Cb -0.24 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1nit s ALA 105 CO 0.29 -0.77 0.00 0.94 0.00 0.00 0.00 175.76 176.22 1nit n GLN 106 N 5.44 0.00 0.00 0.00 7.27 -1.26 -0.96 117.38 127.86 1nit n GLN 106 Ca 0.10 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.25 1nit n GLN 106 Cb 0.47 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.05 1nit n GLN 106 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1nit n LEU 107 N -3.50 0.88 0.00 1.69 4.32 -1.26 -4.99 117.00 114.14 1nit n LEU 107 Ca 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.44 1nit n LEU 107 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1nit n LEU 107 CO 0.00 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 1nit n GLY 108 N 1.31 0.45 0.00 -0.72 0.00 -1.26 -4.85 105.19 100.12 1nit n GLY 108 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1nit n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nit n GLY 109 N 0.59 0.00 0.37 -0.02 0.00 0.13 -1.98 105.19 104.27 1nit n GLY 109 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1nit n GLY 109 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nit h GLU 110 N 0.00 1.26 -0.19 1.61 4.11 -1.93 -1.19 114.58 118.25 1nit h GLU 110 Ca 0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1nit h GLU 110 Cb 0.00 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1nit h GLU 110 CO 0.00 0.88 0.06 0.87 0.07 0.00 0.00 179.01 180.89 1nit h LYS 111 N 1.28 0.30 -0.21 1.06 1.57 -1.86 -1.64 116.57 117.07 1nit h LYS 111 Ca 0.33 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1nit h LYS 111 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nit h LYS 111 CO -0.06 0.41 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.60 1nit h ASP 112 N 0.13 0.35 -0.14 0.86 3.32 -1.07 -2.10 116.42 117.78 1nit h ASP 112 Ca 0.06 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1nit h ASP 112 Cb 0.23 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nit h ASP 112 CO -0.00 0.55 -0.15 0.25 -1.72 0.00 0.00 179.24 178.17 1nit h LEU 113 N 0.33 0.37 -0.72 1.55 5.85 -1.09 -0.44 115.31 121.16 1nit h LEU 113 Ca 0.06 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1nit h LEU 113 Cb 0.52 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1nit h LEU 113 CO 0.03 0.79 0.39 0.03 -0.34 0.00 0.00 178.44 179.35 1nit h ARG 114 N -0.04 0.68 -0.38 1.25 3.08 -1.22 -1.25 114.38 116.50 1nit h ARG 114 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1nit h ARG 114 Cb 0.69 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1nit h ARG 114 CO 0.04 0.45 0.13 -0.09 -1.07 0.00 0.00 179.97 179.42 1nit h ARG 115 N 0.70 0.58 -0.89 0.04 2.43 -1.27 -2.85 114.38 113.11 1nit h ARG 115 Ca 0.34 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1nit h ARG 115 Cb 0.27 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1nit h ARG 115 CO -0.22 0.58 0.56 0.00 -1.51 0.00 0.00 179.97 179.38 1nit h ALA 116 N 0.97 1.32 0.00 2.80 0.00 -0.75 -0.30 119.26 123.31 1nit h ALA 116 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nit h ALA 116 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nit h ALA 116 CO -0.01 0.61 -0.27 0.87 0.00 0.00 0.00 179.25 180.45 1nit h LYS 117 N 1.21 0.00 0.00 0.00 1.57 -1.13 0.10 116.57 118.33 1nit h LYS 117 Ca 0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1nit h LYS 117 Cb -0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1nit h LYS 117 CO -0.07 0.27 -0.15 0.22 -0.57 0.00 0.00 179.45 179.15 1nit h ASP 118 N 0.00 0.00 -0.96 0.86 3.58 -1.20 -3.06 116.42 115.64 1nit h ASP 118 Ca -0.00 -0.35 0.15 0.00 0.42 0.00 0.00 57.03 57.24 1nit h ASP 118 Cb 0.55 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.51 1nit h ASP 118 CO 0.04 0.76 0.61 0.40 -2.88 0.00 0.00 179.24 178.16 1nit h ILE 119 N -1.00 0.84 -0.42 2.25 2.04 -1.01 -2.79 117.51 117.43 1nit h ILE 119 Ca -0.03 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1nit h ILE 119 Cb 0.47 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1nit h ILE 119 CO -0.02 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.87 1nit n ASN 120 N -4.62 4.05 -0.34 1.72 3.02 0.35 -4.65 115.26 114.79 1nit n ASN 120 Ca 0.19 -2.59 0.17 0.00 -0.03 0.00 0.00 54.58 52.33 1nit n ASN 120 Cb 0.45 -0.49 0.40 0.00 -0.61 0.00 0.00 39.78 39.54 1nit n ASN 120 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1nit h GLN 121 N 2.69 0.57 -0.40 3.52 4.15 -1.38 -0.21 115.11 124.05 1nit h GLN 121 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1nit h GLN 121 Cb 1.31 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1nit h GLN 121 CO 0.19 0.38 0.13 1.49 -1.93 0.00 0.00 178.83 179.09 1nit h GLU 122 N 0.59 0.61 -0.19 1.69 4.81 -1.86 -1.03 114.58 119.19 1nit h GLU 122 Ca 0.60 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 1nit h GLU 122 Cb 1.18 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1nit h GLU 122 CO -0.38 0.60 -0.32 0.28 -0.73 0.00 0.00 179.01 178.46 1nit h VAL 123 N 0.50 1.34 -0.34 0.32 2.07 -1.43 -1.42 116.25 117.28 1nit h VAL 123 Ca 0.13 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1nit h VAL 123 Cb 0.24 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1nit h VAL 123 CO -0.01 0.47 0.02 1.88 0.02 0.00 0.00 177.57 179.95 1nit h TYR 124 N 0.22 0.54 -0.21 1.57 0.05 -1.21 -0.25 116.97 117.68 1nit h TYR 124 Ca 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1nit h TYR 124 Cb 0.90 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1nit h TYR 124 CO 0.09 0.52 0.09 -0.97 -1.05 0.00 0.00 178.16 176.84 1nit h ASN 125 N 0.50 0.28 0.03 3.88 -1.24 -1.12 -0.82 115.58 117.09 1nit h ASN 125 Ca 0.11 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1nit h ASN 125 Cb 0.30 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 1nit h ASN 125 CO 0.01 0.34 -0.02 0.15 -1.29 0.00 0.00 177.43 176.62 1nit h PHE 126 N 0.20 -0.05 -0.54 0.67 3.57 -0.61 -0.81 116.94 119.36 1nit h PHE 126 Ca 0.07 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1nit h PHE 126 Cb 0.14 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1nit h PHE 126 CO -0.02 -0.03 0.07 -0.07 -2.23 0.00 0.00 178.31 176.03 1nit h LEU 127 N -0.05 0.88 -0.97 0.59 3.38 -0.88 0.40 115.31 118.66 1nit h LEU 127 Ca -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1nit h LEU 127 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1nit h LEU 127 CO 0.00 0.93 0.26 0.00 0.09 0.00 0.00 178.44 179.72 1nit h ALA 128 N 0.98 1.18 -0.10 1.53 0.00 -1.08 0.94 119.26 122.71 1nit h ALA 128 Ca 0.16 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1nit h ALA 128 Cb 0.43 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nit h ALA 128 CO 0.01 0.59 -0.77 1.15 0.00 0.00 0.00 179.25 180.24 1nit h THR 129 N 0.99 1.31 -0.13 0.00 2.02 -0.84 -1.02 112.91 115.23 1nit h THR 129 Ca 0.23 -2.01 -0.12 0.00 0.77 0.00 0.00 66.41 65.28 1nit h THR 129 Cb 0.20 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1nit h THR 129 CO -0.02 0.62 -0.43 0.00 0.37 0.00 0.00 175.52 176.07 1nit h ALA 130 N 0.48 1.02 -0.20 6.16 0.00 -0.78 -1.98 119.26 123.97 1nit h ALA 130 Ca -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1nit h ALA 130 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nit h ALA 130 CO 0.16 0.62 0.09 0.78 0.00 0.00 0.00 179.25 180.89 1nit h GLY 131 N 1.21 0.31 1.49 0.00 0.00 -0.68 -0.62 103.07 104.78 1nit h GLY 131 Ca 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1nit h GLY 131 CO 0.07 0.15 0.02 0.00 0.00 0.00 0.00 176.54 176.78 1nit h ALA 132 N 0.95 1.28 -0.04 3.60 0.00 -1.01 0.11 119.26 124.15 1nit h ALA 132 Ca 0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1nit h ALA 132 Cb 0.14 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nit h ALA 132 CO -0.01 0.49 -0.49 -0.22 0.00 0.00 0.00 179.25 179.02 1nit h LYS 133 N 0.60 0.40 -0.30 0.00 3.64 -1.02 -3.31 116.57 116.59 1nit h LYS 133 Ca 0.13 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1nit h LYS 133 Cb 0.35 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1nit h LYS 133 CO 0.01 1.03 0.00 0.66 -2.27 0.00 0.00 179.45 178.88 1nit n TYR 134 N -4.29 0.38 -2.49 1.91 4.01 -0.27 -4.85 117.16 111.56 1nit n TYR 134 Ca -0.09 -0.19 -0.02 0.00 -0.16 0.00 0.00 57.90 57.44 1nit n TYR 134 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.64 1nit n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nit n GLY 135 N 1.40 0.76 3.51 2.72 0.00 -0.61 -1.24 105.19 111.73 1nit n GLY 135 Ca 0.18 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1nit n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nit s VAL 136 N -3.02 4.07 0.49 1.61 1.01 0.29 -4.73 120.40 120.12 1nit s VAL 136 Ca 0.04 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1nit s VAL 136 Cb -0.02 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 1nit s VAL 136 CO 0.05 0.47 1.19 -0.83 0.00 0.00 0.00 175.10 175.98 1nit s GLY 137 N 0.56 2.77 -0.12 4.51 0.00 -0.68 -4.31 107.32 110.05 1nit s GLY 137 Ca -0.01 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 1nit s GLY 137 CO 0.02 1.42 -0.10 -0.12 0.00 0.00 0.00 173.10 174.33 1nit s PHE 138 N -1.55 1.66 -0.30 1.90 5.36 -0.86 -0.32 117.98 123.87 1nit s PHE 138 Ca 0.67 -0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1nit s PHE 138 Cb -0.30 -1.32 -0.04 0.00 -0.34 0.00 0.00 43.02 41.03 1nit s PHE 138 CO 0.35 -0.54 0.19 -1.58 -1.46 0.00 0.00 175.22 172.19 1nit s TRP 139 N 1.59 3.21 0.86 10.12 0.52 0.21 -0.32 118.94 135.12 1nit s TRP 139 Ca 0.04 -0.07 -0.10 0.00 0.02 0.00 0.00 56.10 55.98 1nit s TRP 139 Cb -0.13 -2.40 0.11 0.00 -1.15 0.00 0.00 33.47 29.90 1nit s TRP 139 CO -0.08 -0.26 1.12 1.03 0.02 0.00 0.00 176.95 178.78 1nit s ARG 140 N 1.73 1.53 0.22 4.98 0.52 -0.24 -2.63 118.95 125.06 1nit s ARG 140 Ca 0.06 1.36 -0.32 0.00 -0.52 0.00 0.00 55.73 56.32 1nit s ARG 140 Cb -0.16 -1.80 -0.14 0.00 0.52 0.00 0.00 34.95 33.37 1nit s ARG 140 CO 0.10 -2.21 1.38 -0.35 0.02 0.00 0.00 175.30 174.23 1nit n PRO 141 N -3.93 1.90 0.00 3.54 -0.04 -1.26 -1.55 135.00 133.65 1nit n PRO 141 Ca 0.10 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1nit n PRO 141 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1nit n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nit n GLY 142 N 2.20 2.95 0.36 0.55 0.00 -1.26 -4.94 105.19 105.06 1nit n GLY 142 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1nit n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nit h SER 143 N 0.14 0.66 -4.07 1.61 4.64 -1.54 -3.40 113.55 111.59 1nit h SER 143 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1nit h SER 143 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1nit h SER 143 CO 0.00 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1nit n GLY 144 N -1.44 2.86 3.74 -0.77 0.00 -1.23 -1.46 105.19 106.88 1nit n GLY 144 Ca 0.13 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1nit n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nit s ILE 145 N -1.85 4.21 0.26 -0.61 1.01 0.23 -4.53 121.20 119.92 1nit s ILE 145 Ca 0.00 2.01 -0.11 0.00 0.00 0.00 0.00 60.65 62.56 1nit s ILE 145 Cb 0.00 -4.28 0.38 0.00 0.01 0.00 0.00 42.46 38.57 1nit s ILE 145 CO 0.00 0.39 1.57 -0.29 0.00 0.00 0.00 174.94 176.61 1nit h ILE 146 N 3.59 0.06 0.00 2.92 2.10 -1.91 -1.79 117.51 122.48 1nit h ILE 146 Ca -0.44 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.37 1nit h ILE 146 Cb 1.21 0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 1nit h ILE 146 CO 0.70 0.00 -0.61 0.45 -1.08 0.00 0.00 178.15 177.61 1nit h HIS 147 N -0.01 0.00 -0.17 2.19 3.86 -1.92 -1.47 115.15 117.62 1nit h HIS 147 Ca 0.42 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.47 1nit h HIS 147 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1nit h HIS 147 CO -0.75 0.61 -0.53 0.37 0.86 0.00 0.00 177.93 178.49 1nit h GLN 148 N 0.00 0.67 -0.78 2.45 5.75 -1.62 -0.95 115.11 120.62 1nit h GLN 148 Ca -0.01 -0.48 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 1nit h GLN 148 Cb 1.25 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.84 1nit h GLN 148 CO 0.08 1.10 0.37 0.82 -2.65 0.00 0.00 178.83 178.55 1nit h ILE 149 N 0.35 1.25 -0.19 2.39 1.08 -1.23 -1.69 117.51 119.47 1nit h ILE 149 Ca -0.02 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1nit h ILE 149 Cb 1.15 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1nit h ILE 149 CO 0.11 0.30 0.01 0.40 -0.69 0.00 0.00 178.15 178.28 1nit h ILE 150 N 1.10 1.25 -0.47 -0.67 2.04 -1.18 -1.56 117.51 118.03 1nit h ILE 150 Ca 0.27 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1nit h ILE 150 Cb 0.13 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1nit h ILE 150 CO -0.03 0.26 0.25 0.25 0.00 0.00 0.00 178.15 178.87 1nit h LEU 151 N 0.10 0.57 0.00 1.44 5.85 -0.95 0.21 115.31 122.53 1nit h LEU 151 Ca 0.05 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1nit h LEU 151 Cb 0.38 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1nit h LEU 151 CO 0.01 0.46 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.08 1nit h GLU 152 N 0.65 0.00 0.00 1.25 5.08 -1.17 -3.40 114.58 116.99 1nit h GLU 152 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nit h GLU 152 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nit h GLU 152 CO -0.03 0.00 -0.26 0.09 -1.00 0.00 0.00 179.01 177.81 1nit n ASN 153 N -2.81 1.29 0.00 1.42 3.02 -0.60 -4.94 115.26 112.65 1nit n ASN 153 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1nit n ASN 153 Cb 0.51 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1nit n ASN 153 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nit n TYR 154 N -0.64 0.00 -2.76 3.10 4.01 0.66 -4.61 117.16 116.92 1nit n TYR 154 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1nit n TYR 154 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 1nit n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nit s ALA 155 N -1.70 3.33 0.14 -0.72 0.00 -0.66 -4.97 121.76 117.17 1nit s ALA 155 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1nit s ALA 155 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1nit s ALA 155 CO 0.00 0.18 0.33 1.52 0.00 0.00 0.00 175.76 177.79 1nit s TYR 156 N -1.02 0.12 0.09 0.00 -0.85 -1.26 -4.94 117.35 109.48 1nit s TYR 156 Ca 0.42 -0.49 -0.34 0.00 -0.52 0.00 0.00 57.07 56.14 1nit s TYR 156 Cb -0.26 0.09 -0.14 0.00 0.38 0.00 0.00 41.96 42.04 1nit s TYR 156 CO 0.31 -0.71 1.61 -2.30 -1.52 0.00 0.00 175.55 172.95 1nit n PRO 157 N -0.20 2.01 -0.47 -3.49 -0.02 -0.75 -2.53 135.00 129.55 1nit n PRO 157 Ca -0.12 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1nit n PRO 157 Cb 0.63 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1nit n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nit n GLY 158 N 3.52 0.99 3.78 -1.23 0.00 -0.04 -4.87 105.19 107.34 1nit n GLY 158 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1nit n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nit s VAL 159 N -3.06 3.39 -0.31 1.61 0.11 -1.05 -4.83 120.40 116.26 1nit s VAL 159 Ca 0.00 0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 59.96 1nit s VAL 159 Cb 0.00 -3.44 0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1nit s VAL 159 CO 0.00 -0.10 0.04 -0.22 -3.33 0.00 0.00 175.10 171.48 1nit s LEU 160 N -3.29 3.94 -0.06 2.54 2.96 -1.26 -1.11 118.68 122.40 1nit s LEU 160 Ca 0.66 -1.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1nit s LEU 160 Cb -0.23 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1nit s LEU 160 CO 0.28 -0.26 -0.24 -0.22 -1.32 0.00 0.00 176.35 174.59 1nit s LEU 161 N 1.34 2.14 0.03 -0.68 0.20 0.24 -0.33 118.68 121.62 1nit s LEU 161 Ca -0.02 -0.49 0.05 0.00 0.69 0.00 0.00 54.13 54.36 1nit s LEU 161 Cb -0.19 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1nit s LEU 161 CO 0.00 0.24 -0.12 0.27 -0.29 0.00 0.00 176.35 176.45 1nit s ILE 162 N -0.14 3.22 0.01 6.68 -4.36 -0.96 -1.11 121.20 124.53 1nit s ILE 162 Ca -0.04 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 1nit s ILE 162 Cb -0.14 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1nit s ILE 162 CO 0.04 0.33 -0.02 -0.83 0.24 0.00 0.00 174.94 174.70 1nit s GLY 163 N -1.52 0.16 -1.48 6.27 0.00 -0.69 -1.84 107.32 108.23 1nit s GLY 163 Ca 0.16 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 1nit s GLY 163 CO 0.07 -0.31 2.41 -1.30 0.00 0.00 0.00 173.10 173.97 1nit n THR 164 N 2.46 3.95 -3.64 0.90 -2.24 -0.81 -1.46 114.28 113.44 1nit n THR 164 Ca -0.17 -3.16 -0.09 0.00 -2.27 0.00 0.00 64.05 58.36 1nit n THR 164 Cb 0.58 -2.54 -0.07 0.00 -2.10 0.00 0.00 70.33 66.20 1nit n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nit s ASP 165 N 2.39 -0.47 0.23 3.42 -1.08 -1.25 -4.51 116.67 115.41 1nit s ASP 165 Ca 0.53 0.89 0.26 0.00 -0.52 0.00 0.00 52.55 53.71 1nit s ASP 165 Cb 0.15 0.92 0.85 0.00 -1.46 0.00 0.00 42.92 43.38 1nit s ASP 165 CO -0.07 -0.15 1.76 -1.54 0.52 0.00 0.00 175.17 175.69 1nit n SER 166 N 2.30 0.80 -1.25 -0.34 3.41 -1.26 -2.85 113.62 114.43 1nit n SER 166 Ca -0.13 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1nit n SER 166 Cb 0.56 -0.81 0.24 0.00 -0.26 0.00 0.00 64.21 63.94 1nit n SER 166 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nit n HIS 167 N -2.29 1.15 -0.13 7.33 8.25 -1.26 -4.48 115.22 123.79 1nit n HIS 167 Ca 0.05 -0.42 0.24 0.00 -0.26 0.00 0.00 57.72 57.33 1nit n HIS 167 Cb 0.38 -0.28 0.68 0.00 1.12 0.00 0.00 29.99 31.89 1nit n HIS 167 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1nit h THR 168 N 2.53 0.63 0.00 1.59 2.02 -1.84 -2.70 112.91 115.14 1nit h THR 168 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1nit h THR 168 Cb 1.24 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1nit h THR 168 CO 0.24 0.01 0.46 -0.65 0.37 0.00 0.00 175.52 175.95 1nit h PRO 169 N 0.07 0.00 -1.01 6.66 0.11 -1.75 -2.44 132.00 133.65 1nit h PRO 169 Ca 0.38 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.72 1nit h PRO 169 Cb 1.39 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.40 1nit h PRO 169 CO -0.03 0.00 0.63 -0.97 -0.21 0.00 0.00 178.00 177.41 1nit h ASN 170 N 0.00 0.61 0.34 -2.05 -1.24 -1.66 0.63 115.58 112.22 1nit h ASN 170 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1nit h ASN 170 Cb 0.92 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1nit h ASN 170 CO 0.00 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 1nit n GLY 171 N -1.39 -0.85 0.31 1.57 0.00 -0.92 -2.10 105.19 101.81 1nit n GLY 171 Ca 0.24 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.43 1nit n GLY 171 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nit h GLY 172 N 1.71 0.00 2.00 -0.02 0.00 -0.98 -2.03 103.07 103.76 1nit h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nit h GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nit n GLY 173 N -0.68 -0.93 0.61 4.60 0.00 -0.89 -1.82 105.19 106.09 1nit n GLY 173 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1nit n GLY 173 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nit n LEU 174 N -1.58 2.67 -0.08 0.99 7.94 -0.76 -4.54 117.00 121.63 1nit n LEU 174 Ca 0.03 -3.86 -0.01 0.00 -1.11 0.00 0.00 56.01 51.06 1nit n LEU 174 Cb 0.14 -0.52 -0.00 0.00 0.53 0.00 0.00 43.42 43.57 1nit n LEU 174 CO 0.11 1.38 -0.01 0.61 -1.11 0.00 0.00 177.39 178.37 1nit n GLY 175 N -1.09 0.50 3.86 -3.96 0.00 -0.75 -1.80 105.19 101.95 1nit n GLY 175 Ca 0.19 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1nit n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nit s GLY 176 N -2.45 1.47 -0.36 -0.02 0.00 -1.24 -0.86 107.32 103.86 1nit s GLY 176 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.15 1nit s GLY 176 CO 0.00 -1.45 0.24 -0.42 0.00 0.00 0.00 173.10 171.47 1nit s ILE 177 N -2.15 5.01 -0.18 0.90 -1.09 -0.27 -3.89 121.20 119.53 1nit s ILE 177 Ca 0.36 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1nit s ILE 177 Cb -0.08 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1nit s ILE 177 CO 0.26 -0.14 -0.12 0.00 -1.23 0.00 0.00 174.94 173.72 1nit s ILE 179 N 1.44 1.51 0.14 0.00 1.01 -0.27 -2.82 121.20 122.21 1nit s ILE 179 Ca 0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1nit s ILE 179 Cb -0.15 -1.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 1nit s ILE 179 CO -0.09 0.43 1.15 -0.83 0.00 0.00 0.00 174.94 175.60 1nit s GLY 180 N 0.19 2.67 0.19 6.18 0.00 -1.26 -1.70 107.32 113.59 1nit s GLY 180 Ca -0.08 0.85 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1nit s GLY 180 CO 0.04 1.82 0.11 -1.34 0.00 0.00 0.00 173.10 173.73 1nit s VAL 181 N 0.23 0.10 0.62 1.40 -7.23 -0.53 -4.91 120.40 110.08 1nit s VAL 181 Ca 0.53 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 1nit s VAL 181 Cb -0.30 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1nit s VAL 181 CO 0.33 -0.12 0.99 -0.83 -0.31 0.00 0.00 175.10 175.17 1nit s GLY 182 N -3.15 1.62 0.44 2.32 0.00 -1.26 -3.77 107.32 103.51 1nit s GLY 182 Ca 0.35 -0.35 0.19 0.00 0.00 0.00 0.00 44.72 44.91 1nit s GLY 182 CO 0.10 -0.06 1.88 -1.33 0.00 0.00 0.00 173.10 173.69 1nit h GLY 183 N -0.33 0.68 2.00 0.20 0.00 -1.87 -2.00 103.07 101.75 1nit h GLY 183 Ca -0.45 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1nit h GLY 183 CO 0.62 0.01 -0.39 0.00 0.00 0.00 0.00 176.54 176.78 1nit h ALA 184 N 1.62 0.96 -0.24 3.60 0.00 -1.93 -1.85 119.26 121.42 1nit h ALA 184 Ca 0.43 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1nit h ALA 184 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nit h ALA 184 CO -0.13 0.49 -0.57 -0.44 0.00 0.00 0.00 179.25 178.60 1nit h ASP 185 N 0.00 0.84 -0.28 0.00 5.19 -1.74 -2.87 116.42 117.55 1nit h ASP 185 Ca -0.00 -0.46 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 1nit h ASP 185 Cb 0.95 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 1nit h ASP 185 CO 0.05 1.23 0.04 0.00 -3.12 0.00 0.00 179.24 177.43 1nit h ALA 186 N 0.79 1.37 -0.54 3.45 0.00 -1.32 -2.59 119.26 120.42 1nit h ALA 186 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1nit h ALA 186 Cb 1.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1nit h ALA 186 CO 0.12 0.44 0.17 0.28 0.00 0.00 0.00 179.25 180.26 1nit h VAL 187 N 0.55 1.23 -0.62 0.00 2.07 -1.21 -0.23 116.25 118.04 1nit h VAL 187 Ca 0.12 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 66.99 1nit h VAL 187 Cb 0.29 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 1nit h VAL 187 CO 0.01 0.29 0.13 0.44 0.02 0.00 0.00 177.57 178.45 1nit h ASP 188 N 0.74 -0.00 0.12 0.57 3.32 -1.25 0.14 116.42 120.05 1nit h ASP 188 Ca 0.17 0.12 -0.26 0.00 0.02 0.00 0.00 57.03 57.08 1nit h ASP 188 Cb 0.27 0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.00 1nit h ASP 188 CO -0.01 0.00 -1.07 0.58 -1.72 0.00 0.00 179.24 177.03 1nit h VAL 189 N 0.26 1.31 0.00 -1.35 2.07 -1.30 -0.85 116.25 116.38 1nit h VAL 189 Ca 0.33 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1nit h VAL 189 Cb 0.50 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1nit h VAL 189 CO -0.42 0.72 -0.11 0.24 0.02 0.00 0.00 177.57 178.02 1nit h MET 190 N 0.33 0.00 0.00 1.57 2.86 -0.75 -1.61 114.93 117.34 1nit h MET 190 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1nit h MET 190 Cb 1.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1nit h MET 190 CO 0.20 0.11 -0.31 0.00 1.06 0.00 0.00 176.91 177.98 1nit n ALA 191 N -2.30 3.01 -0.50 6.32 0.00 0.47 -0.40 120.51 127.12 1nit n ALA 191 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1nit n ALA 191 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1nit n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nit n GLY 192 N 1.48 0.73 3.79 0.00 0.00 -0.61 -4.88 105.19 105.70 1nit n GLY 192 Ca 0.06 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1nit n GLY 192 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nit s ILE 193 N -2.00 4.65 0.24 -0.61 -4.36 -0.41 -5.02 121.20 113.69 1nit s ILE 193 Ca 0.00 -0.66 -0.31 0.00 -0.26 0.00 0.00 60.65 59.42 1nit s ILE 193 Cb 0.00 -3.22 -0.14 0.00 1.25 0.00 0.00 42.46 40.35 1nit s ILE 193 CO 0.00 0.17 1.29 -2.65 0.24 0.00 0.00 174.94 173.99 1nit n PRO 194 N 0.58 1.75 -3.35 0.37 -0.02 -1.26 -4.22 135.00 128.85 1nit n PRO 194 Ca -0.09 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.63 1nit n PRO 194 Cb 0.52 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1nit n PRO 194 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1nit s TRP 195 N -0.29 3.78 -0.12 6.00 -0.00 -0.36 -4.82 118.94 123.13 1nit s TRP 195 Ca 0.67 1.18 -0.05 0.00 -0.00 0.00 0.00 56.10 57.91 1nit s TRP 195 Cb -0.70 -2.43 -0.04 0.00 -0.00 0.00 0.00 33.47 30.31 1nit s TRP 195 CO 0.53 0.60 0.05 -1.21 -0.00 0.00 0.00 176.95 176.92 1nit s GLU 196 N -1.08 3.41 -0.05 5.86 2.02 -1.26 -0.69 118.70 126.91 1nit s GLU 196 Ca 0.27 -0.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.91 1nit s GLU 196 Cb -0.19 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.07 1nit s GLU 196 CO 0.17 0.57 0.10 -1.17 0.02 0.00 0.00 175.26 174.95 1nit s LEU 197 N -0.48 0.99 0.13 1.80 2.96 -0.12 -4.94 118.68 119.03 1nit s LEU 197 Ca 0.10 0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.90 1nit s LEU 197 Cb -0.12 0.23 -0.10 0.00 0.50 0.00 0.00 46.19 46.70 1nit s LEU 197 CO 0.02 -0.12 1.73 -0.75 -1.32 0.00 0.00 176.35 175.91 1nit s LYS 198 N 0.94 4.16 -0.17 1.98 2.47 -1.26 -0.19 119.74 127.66 1nit s LYS 198 Ca -0.07 2.50 -0.36 0.00 -1.56 0.00 0.00 55.97 56.48 1nit s LYS 198 Cb -0.10 -3.43 -0.13 0.00 -1.46 0.00 0.00 37.83 32.72 1nit s LYS 198 CO -0.04 -0.76 1.88 0.00 0.16 0.00 0.00 175.35 176.58 1nit s PRO 200 N 4.16 3.99 0.93 0.00 0.04 -1.26 0.00 135.00 142.86 1nit s PRO 200 Ca 0.96 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1nit s PRO 200 Cb -0.81 -2.17 0.15 0.00 0.04 0.00 0.00 34.50 31.71 1nit s PRO 200 CO 0.56 -0.26 1.10 0.15 0.04 0.00 0.00 177.00 178.58 1nit s LYS 201 N -3.14 1.01 -0.14 4.56 -0.14 -0.20 -4.12 119.74 117.57 1nit s LYS 201 Ca 0.65 0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 55.88 1nit s LYS 201 Cb -0.14 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1nit s LYS 201 CO 0.18 -2.36 -0.06 0.08 -0.76 0.00 0.00 175.35 172.42 1nit s VAL 202 N -3.00 1.05 -0.22 3.17 1.01 -1.26 -0.91 120.40 120.23 1nit s VAL 202 Ca 0.64 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1nit s VAL 202 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1nit s VAL 202 CO 0.57 0.24 0.30 -0.63 0.00 0.00 0.00 175.10 175.57 1nit s ILE 203 N 1.68 5.27 -0.00 2.22 1.01 -0.30 -0.60 121.20 130.47 1nit s ILE 203 Ca 0.03 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 1nit s ILE 203 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1nit s ILE 203 CO -0.08 0.29 0.36 -0.83 0.00 0.00 0.00 174.94 174.68 1nit s GLY 204 N 1.03 2.40 -0.23 6.18 0.00 0.20 -1.26 107.32 115.63 1nit s GLY 204 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1nit s GLY 204 CO 0.06 -0.01 -0.07 0.14 0.00 0.00 0.00 173.10 173.23 1nit s VAL 205 N -1.14 1.63 -0.17 1.40 1.01 -0.67 -0.88 120.40 121.58 1nit s VAL 205 Ca 0.24 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 1nit s VAL 205 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1nit s VAL 205 CO 0.13 -0.07 0.60 -0.75 0.00 0.00 0.00 175.10 175.01 1nit s LYS 206 N 1.35 4.26 -0.13 2.72 2.20 0.29 -1.17 119.74 129.27 1nit s LYS 206 Ca -0.06 0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1nit s LYS 206 Cb -0.19 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1nit s LYS 206 CO -0.06 -0.12 0.04 -0.51 -0.36 0.00 0.00 175.35 174.33 1nit s LEU 207 N 1.51 3.74 0.18 5.43 1.43 0.57 -0.74 118.68 130.82 1nit s LEU 207 Ca 0.29 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1nit s LEU 207 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1nit s LEU 207 CO 0.11 0.29 -0.17 -0.89 0.23 0.00 0.00 176.35 175.92 1nit s THR 208 N -0.33 1.78 0.00 5.49 2.01 0.50 -1.05 115.64 124.04 1nit s THR 208 Ca 0.08 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.06 1nit s THR 208 Cb -0.12 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1nit s THR 208 CO 0.02 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 1nit n GLY 209 N 0.06 -0.05 3.38 4.40 0.00 -1.26 -0.04 105.19 111.67 1nit n GLY 209 Ca -0.11 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 1nit n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nit s SER 210 N -4.00 -0.42 0.49 1.61 1.04 -1.26 -4.15 113.70 107.00 1nit s SER 210 Ca 0.00 0.38 -0.23 0.00 0.48 0.00 0.00 55.95 56.58 1nit s SER 210 Cb 0.00 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1nit s SER 210 CO 0.00 -0.54 1.25 -0.76 0.98 0.00 0.00 173.24 174.17 1nit s LEU 211 N -1.33 3.96 -0.03 2.42 1.43 -1.26 -2.67 118.68 121.20 1nit s LEU 211 Ca -0.12 2.51 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 1nit s LEU 211 Cb -0.02 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 41.97 1nit s LEU 211 CO 0.06 -1.17 0.10 -0.94 0.23 0.00 0.00 176.35 174.63 1nit s SER 212 N -1.16 -0.09 1.90 2.29 1.04 -1.26 -5.02 113.70 111.40 1nit s SER 212 Ca 0.66 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1nit s SER 212 Cb -0.34 0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1nit s SER 212 CO 0.41 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1nit n GLY 213 N 2.97 3.94 0.19 7.32 0.00 -1.26 -2.50 105.19 115.85 1nit n GLY 213 Ca -0.13 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1nit n GLY 213 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nit h TRP 214 N 0.00 0.00 -3.00 1.61 4.06 -1.94 -3.42 115.95 113.26 1nit h TRP 214 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1nit h TRP 214 Cb 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1nit h TRP 214 CO 0.00 0.33 0.83 0.99 -3.56 0.00 0.00 178.44 177.03 1nit s THR 215 N -3.45 2.70 0.33 1.49 2.01 -1.04 -4.84 115.64 112.84 1nit s THR 215 Ca 0.02 0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1nit s THR 215 Cb 0.10 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 1nit s THR 215 CO 0.68 0.05 0.07 -0.94 -0.69 0.00 0.00 174.62 173.80 1nit s SER 216 N 0.91 2.26 0.42 3.53 1.04 -1.26 -4.41 113.70 116.20 1nit s SER 216 Ca 0.66 -1.43 0.16 0.00 0.48 0.00 0.00 55.95 55.83 1nit s SER 216 Cb -0.43 0.05 1.06 0.00 0.10 0.00 0.00 66.02 66.80 1nit s SER 216 CO 0.35 -0.68 1.89 -0.65 0.98 0.00 0.00 173.24 175.13 1nit h PRO 217 N 2.10 0.41 -0.71 4.02 0.11 -1.95 -1.52 132.00 134.46 1nit h PRO 217 Ca -0.40 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.83 1nit h PRO 217 Cb 1.25 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1nit h PRO 217 CO 0.66 0.27 0.48 -0.22 -0.21 0.00 0.00 178.00 178.99 1nit h LYS 218 N 0.42 0.35 -0.21 1.05 1.63 -1.93 -2.35 116.57 115.53 1nit h LYS 218 Ca 0.42 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.11 1nit h LYS 218 Cb 0.99 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1nit h LYS 218 CO -0.15 0.23 -0.26 -0.44 -3.45 0.00 0.00 179.45 175.38 1nit h ASP 219 N 0.36 0.39 -0.20 4.20 3.32 -1.64 -0.35 116.42 122.50 1nit h ASP 219 Ca 0.35 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1nit h ASP 219 Cb 0.85 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1nit h ASP 219 CO -0.10 0.65 0.07 0.58 -1.72 0.00 0.00 179.24 178.73 1nit h VAL 220 N 0.35 0.96 0.00 -1.35 2.07 -1.54 -0.02 116.25 116.72 1nit h VAL 220 Ca 0.05 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1nit h VAL 220 Cb 0.65 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1nit h VAL 220 CO 0.05 0.03 -0.48 -0.29 0.02 0.00 0.00 177.57 176.90 1nit h ILE 221 N 0.17 0.56 -0.40 4.57 6.09 -1.56 -1.12 117.51 125.82 1nit h ILE 221 Ca 0.08 -1.82 -0.09 0.00 -1.37 0.00 0.00 64.86 61.67 1nit h ILE 221 Cb 0.05 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.55 1nit h ILE 221 CO -0.08 0.32 -0.12 -0.07 -3.07 0.00 0.00 178.15 175.13 1nit h LEU 222 N 0.00 0.71 -0.14 2.19 3.38 -0.76 -0.57 115.31 120.12 1nit h LEU 222 Ca -0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1nit h LEU 222 Cb 1.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nit h LEU 222 CO 0.04 0.85 -0.12 0.50 0.09 0.00 0.00 178.44 179.80 1nit h LYS 223 N 0.65 0.34 -0.57 1.13 1.63 -0.89 -2.73 116.57 116.13 1nit h LYS 223 Ca 0.11 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1nit h LYS 223 Cb 0.58 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1nit h LYS 223 CO 0.04 0.71 0.37 0.28 -3.45 0.00 0.00 179.45 177.40 1nit h VAL 224 N -0.03 1.15 -0.51 2.00 2.07 -1.07 -1.62 116.25 118.24 1nit h VAL 224 Ca 0.03 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1nit h VAL 224 Cb 0.64 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1nit h VAL 224 CO 0.03 0.15 0.24 0.00 0.02 0.00 0.00 177.57 178.01 1nit h ALA 225 N 1.20 1.46 -0.33 1.67 0.00 -1.10 0.81 119.26 122.96 1nit h ALA 225 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1nit h ALA 225 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1nit h ALA 225 CO -0.04 0.43 -0.20 0.78 0.00 0.00 0.00 179.25 180.22 1nit h GLY 226 N 0.83 0.79 0.77 0.00 0.00 -1.12 0.06 103.07 104.40 1nit h GLY 226 Ca 0.18 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1nit h GLY 226 CO -0.02 0.66 -0.14 -2.22 0.00 0.00 0.00 176.54 174.82 1nit h ILE 227 N 0.50 0.74 0.00 2.60 2.04 -0.73 -3.35 117.51 119.31 1nit h ILE 227 Ca 0.07 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 1nit h ILE 227 Cb 0.74 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1nit h ILE 227 CO 0.06 0.09 -0.62 -0.07 0.00 0.00 0.00 178.15 177.61 1nit h LEU 228 N -0.63 0.00 -0.21 1.44 4.07 -0.87 -3.50 115.31 115.61 1nit h LEU 228 Ca -0.04 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.09 1nit h LEU 228 Cb 0.45 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.12 1nit h LEU 228 CO 0.07 0.62 -0.43 0.35 -1.08 0.00 0.00 178.44 177.96 1nit n THR 229 N -3.27 -0.02 0.28 0.22 -2.24 0.00 -2.68 114.28 106.57 1nit n THR 229 Ca 0.01 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 1nit n THR 229 Cb 0.78 -0.47 0.48 0.00 -2.10 0.00 0.00 70.33 69.02 1nit n THR 229 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1nit n VAL 230 N -3.34 1.02 -0.04 2.28 0.24 -1.26 -1.67 118.33 115.55 1nit n VAL 230 Ca -0.02 0.46 0.05 0.00 -2.04 0.00 0.00 64.34 62.79 1nit n VAL 230 Cb 0.32 -1.41 0.12 0.00 -1.47 0.00 0.00 33.84 31.39 1nit n VAL 230 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1nit n LYS 231 N -2.14 2.39 0.24 7.34 2.85 -1.26 -3.54 118.16 124.04 1nit n LYS 231 Ca 0.01 -1.81 0.14 0.00 -1.05 0.00 0.00 58.31 55.59 1nit n LYS 231 Cb 0.13 -1.23 0.37 0.00 -0.65 0.00 0.00 35.03 33.65 1nit n LYS 231 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1nit h GLY 232 N 1.83 0.00 -1.85 2.58 0.00 -1.09 -3.23 103.07 101.30 1nit h GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nit h GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nit n GLY 233 N 0.67 1.17 3.63 4.60 0.00 0.76 -4.98 105.19 111.04 1nit n GLY 233 Ca 0.03 -0.62 -0.48 0.00 0.00 0.00 0.00 46.02 44.94 1nit n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nit n THR 234 N 1.22 0.11 -0.98 2.61 -1.04 -1.21 -1.97 114.28 113.03 1nit n THR 234 Ca 0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1nit n THR 234 Cb 0.53 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1nit n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nit n GLY 235 N 2.91 0.40 3.26 3.41 0.00 -1.26 -4.96 105.19 108.96 1nit n GLY 235 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1nit n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nit s ALA 236 N -1.91 1.70 -0.04 4.61 0.00 -0.83 -1.03 121.76 124.26 1nit s ALA 236 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1nit s ALA 236 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1nit s ALA 236 CO 0.00 0.34 0.42 0.42 0.00 0.00 0.00 175.76 176.94 1nit s ILE 237 N -1.10 5.08 -0.21 0.00 1.01 -0.09 -0.21 121.20 125.67 1nit s ILE 237 Ca 0.05 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.40 1nit s ILE 237 Cb -0.10 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1nit s ILE 237 CO 0.03 0.50 0.43 -0.69 0.00 0.00 0.00 174.94 175.21 1nit s VAL 238 N -0.52 5.17 -0.28 2.92 1.01 -0.36 -1.15 120.40 127.19 1nit s VAL 238 Ca 0.24 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.01 1nit s VAL 238 Cb -0.16 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1nit s VAL 238 CO 0.12 0.21 -0.07 -0.70 0.00 0.00 0.00 175.10 174.66 1nit s GLU 239 N 1.54 2.11 0.14 2.72 2.12 -0.39 -1.06 118.70 125.88 1nit s GLU 239 Ca 0.20 -1.45 -0.30 0.00 0.36 0.00 0.00 54.97 53.78 1nit s GLU 239 Cb -0.15 -2.97 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 1nit s GLU 239 CO 0.09 -0.65 0.97 0.71 -0.54 0.00 0.00 175.26 175.84 1nit s TYR 240 N 1.07 3.82 0.11 5.30 1.51 -0.61 -1.66 117.35 126.90 1nit s TYR 240 Ca -0.05 1.80 -0.01 0.00 -1.01 0.00 0.00 57.07 57.80 1nit s TYR 240 Cb -0.20 -3.07 0.01 0.00 -0.11 0.00 0.00 41.96 38.59 1nit s TYR 240 CO -0.05 0.16 0.17 -2.39 -1.11 0.00 0.00 175.55 172.33 1nit n HIS 241 N 2.48 -0.87 0.00 2.71 1.44 -0.31 -4.22 115.22 116.44 1nit n HIS 241 Ca 0.01 -0.71 0.00 0.00 -2.01 0.00 0.00 57.72 55.02 1nit n HIS 241 Cb 0.48 0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.79 1nit n HIS 241 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nit n GLY 242 N -0.18 2.25 0.34 -1.39 0.00 -1.26 -0.31 105.19 104.64 1nit n GLY 242 Ca -0.00 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.27 1nit n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nit h PRO 243 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.21 132.00 129.59 1nit h PRO 243 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nit h PRO 243 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nit h PRO 243 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1nit n GLY 244 N -1.41 -1.38 0.33 1.56 0.00 -0.21 -3.37 105.19 100.70 1nit n GLY 244 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1nit n GLY 244 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nit h VAL 245 N 0.00 1.14 0.00 1.61 2.07 -1.60 -2.59 116.25 116.88 1nit h VAL 245 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1nit h VAL 245 Cb 0.46 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1nit h VAL 245 CO 0.00 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.20 1nit n ASP 246 N -4.45 0.39 0.13 0.57 9.92 -1.22 -1.55 116.55 120.34 1nit n ASP 246 Ca 0.05 0.60 0.13 0.00 -0.53 0.00 0.00 54.79 55.04 1nit n ASP 246 Cb 0.05 -0.68 0.39 0.00 -0.64 0.00 0.00 41.12 40.23 1nit n ASP 246 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1nit h SER 247 N 0.00 0.00 -3.24 -2.24 0.87 -1.69 -3.46 113.55 103.80 1nit h SER 247 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1nit h SER 247 Cb 0.32 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.12 1nit h SER 247 CO 0.00 0.00 -0.58 -0.63 -0.53 0.00 0.00 176.83 175.09 1nit s ILE 248 N -3.15 4.67 0.85 2.23 1.01 -0.59 -4.77 121.20 121.44 1nit s ILE 248 Ca 0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1nit s ILE 248 Cb 0.11 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.62 1nit s ILE 248 CO 0.59 0.50 1.12 -0.94 0.00 0.00 0.00 174.94 176.21 1nit s SER 249 N 0.04 3.65 0.25 3.58 1.04 -1.26 -4.82 113.70 116.18 1nit s SER 249 Ca 0.05 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.42 1nit s SER 249 Cb -0.12 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.78 1nit s SER 249 CO 0.01 -2.61 1.88 0.00 0.98 0.00 0.00 173.24 173.50 1nit h THR 251 N 1.11 0.83 -0.50 0.00 1.35 -1.92 -1.92 112.91 111.85 1nit h THR 251 Ca 0.38 -1.52 -0.11 0.00 -0.55 0.00 0.00 66.41 64.61 1nit h THR 251 Cb 0.08 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1nit h THR 251 CO -0.14 0.36 -0.12 1.23 -0.25 0.00 0.00 175.52 176.59 1nit h GLY 252 N 2.20 1.02 1.38 5.82 0.00 -1.54 -1.06 103.07 110.89 1nit h GLY 252 Ca -0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 1nit h GLY 252 CO 0.05 0.75 -0.19 -0.33 0.00 0.00 0.00 176.54 176.81 1nit h MET 253 N 0.84 0.72 -0.76 4.80 0.00 -0.69 -1.87 114.93 117.97 1nit h MET 253 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 59.70 59.52 1nit h MET 253 Cb 0.66 -0.04 -0.03 0.00 0.00 0.00 0.00 31.60 32.18 1nit h MET 253 CO 0.05 0.86 0.31 0.00 0.00 0.00 0.00 176.91 178.12 1nit h ALA 254 N 1.15 1.11 -0.16 6.32 0.00 -0.97 -0.57 119.26 126.14 1nit h ALA 254 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nit h ALA 254 Cb 0.68 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nit h ALA 254 CO 0.05 0.64 0.11 1.15 0.00 0.00 0.00 179.25 181.19 1nit h THR 255 N 1.10 1.04 -0.25 0.00 2.02 -0.50 0.22 112.91 116.55 1nit h THR 255 Ca 0.25 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1nit h THR 255 Cb 0.20 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1nit h THR 255 CO -0.02 0.04 0.09 0.40 0.37 0.00 0.00 175.52 176.40 1nit h ILE 256 N 0.22 1.18 -0.48 3.11 2.04 -1.10 -2.81 117.51 119.67 1nit h ILE 256 Ca 0.06 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1nit h ILE 256 Cb -0.02 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1nit h ILE 256 CO -0.01 0.19 0.15 0.00 0.00 0.00 0.00 178.15 178.48 1nit h ASN 258 N 0.69 -0.62 -0.01 0.00 -0.73 -0.32 -3.01 115.58 111.59 1nit h ASN 258 Ca 0.16 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1nit h ASN 258 Cb 0.20 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1nit h ASN 258 CO -0.01 -0.34 0.00 0.80 -0.37 0.00 0.00 177.43 177.51 1nit n MET 259 N -5.36 1.13 0.12 6.67 1.56 -1.09 -2.19 117.12 117.96 1nit n MET 259 Ca -0.08 -0.19 0.10 0.00 -0.27 0.00 0.00 57.70 57.26 1nit n MET 259 Cb 0.27 -1.45 0.46 0.00 2.15 0.00 0.00 33.22 34.64 1nit n MET 259 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1nit n GLY 260 N 0.99 -1.01 0.26 -5.12 0.00 -1.14 -0.86 105.19 98.31 1nit n GLY 260 Ca 0.21 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.44 1nit n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nit h ALA 261 N 2.16 1.56 0.00 4.61 0.00 -1.62 -2.59 119.26 123.38 1nit h ALA 261 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nit h ALA 261 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nit h ALA 261 CO 0.00 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1nit n GLU 262 N -4.00 0.78 -0.14 0.00 4.71 -0.04 -2.19 120.64 119.75 1nit n GLU 262 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.18 1nit n GLU 262 Cb 0.17 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.23 1nit n GLU 262 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1nit n ILE 263 N -1.11 0.88 -0.75 -3.67 -5.35 -0.98 -4.19 119.36 104.19 1nit n ILE 263 Ca 0.20 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1nit n ILE 263 Cb 0.16 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 1nit n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nit n GLY 264 N 0.45 0.68 3.70 3.28 0.00 -0.93 -0.17 105.19 112.20 1nit n GLY 264 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1nit n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nit n ALA 265 N 0.26 1.18 -0.17 4.61 0.00 -1.17 -3.34 120.51 121.88 1nit n ALA 265 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nit n ALA 265 Cb 0.00 -2.26 0.26 0.00 0.00 0.00 0.00 19.45 17.45 1nit n ALA 265 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nit h THR 266 N 1.75 1.19 -2.09 0.00 2.02 -0.74 -3.45 112.91 111.58 1nit h THR 266 Ca -0.48 -0.42 0.31 0.00 0.77 0.00 0.00 66.41 66.59 1nit h THR 266 Cb 1.31 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1nit h THR 266 CO 0.58 0.20 0.84 0.28 0.37 0.00 0.00 175.52 177.79 1nit s THR 267 N -5.67 0.00 0.11 3.16 -1.32 -1.26 -4.50 115.64 106.17 1nit s THR 267 Ca -0.10 -0.24 0.04 0.00 -1.21 0.00 0.00 61.69 60.18 1nit s THR 267 Cb 0.17 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1nit s THR 267 CO 0.78 0.00 -0.11 -0.44 -2.21 0.00 0.00 174.62 172.64 1nit s SER 268 N -3.63 1.60 -0.04 8.08 0.01 -1.26 -1.22 113.70 117.24 1nit s SER 268 Ca 0.26 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 1nit s SER 268 Cb -0.00 -0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.26 1nit s SER 268 CO -0.00 -0.27 0.37 0.54 0.41 0.00 0.00 173.24 174.29 1nit s VAL 269 N -2.64 0.04 0.10 3.43 0.11 -0.22 -4.27 120.40 116.95 1nit s VAL 269 Ca 0.09 -0.34 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1nit s VAL 269 Cb -0.02 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1nit s VAL 269 CO 0.00 -0.19 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.10 1nit s PHE 270 N -1.05 2.67 0.37 1.54 0.40 -1.05 -1.57 117.98 119.29 1nit s PHE 270 Ca -0.11 -0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 55.77 1nit s PHE 270 Cb -0.04 -1.42 -0.09 0.00 0.51 0.00 0.00 43.02 41.98 1nit s PHE 270 CO 0.04 0.40 1.13 -1.25 0.70 0.00 0.00 175.22 176.24 1nit s PRO 271 N -2.09 4.21 0.21 0.24 0.04 -1.26 -3.96 135.00 132.38 1nit s PRO 271 Ca 0.20 1.76 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 1nit s PRO 271 Cb -0.11 -2.76 -0.13 0.00 0.04 0.00 0.00 34.50 31.54 1nit s PRO 271 CO 0.12 -0.16 1.54 0.98 0.04 0.00 0.00 177.00 179.52 1nit n TYR 272 N 0.29 2.36 -3.91 0.56 9.36 -0.88 -4.89 117.16 120.04 1nit n TYR 272 Ca 0.03 0.29 -0.11 0.00 3.32 0.00 0.00 57.90 61.44 1nit n TYR 272 Cb 0.47 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.62 1nit n TYR 272 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1nit n ASN 273 N 2.91 -1.18 0.24 2.98 0.23 -1.26 -4.87 115.26 114.31 1nit n ASN 273 Ca 0.14 -2.47 0.12 0.00 -0.53 0.00 0.00 54.58 51.84 1nit n ASN 273 Cb 0.31 2.16 0.57 0.00 -2.08 0.00 0.00 39.78 40.74 1nit n ASN 273 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1nit h HIS 274 N 1.80 0.00 -0.40 -2.53 2.07 -1.99 -2.34 115.15 111.76 1nit h HIS 274 Ca -0.22 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.20 1nit h HIS 274 Cb 0.95 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.91 1nit h HIS 274 CO 0.00 0.17 -0.15 0.00 -3.07 0.00 0.00 177.93 174.87 1nit h ARG 275 N 0.00 0.74 -0.31 5.12 2.47 -1.92 -1.79 114.38 118.69 1nit h ARG 275 Ca -0.00 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 1nit h ARG 275 Cb 0.60 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1nit h ARG 275 CO 0.02 0.85 -0.20 0.52 0.56 0.00 0.00 179.97 181.72 1nit h MET 276 N 0.66 0.68 -0.82 0.04 2.86 -1.82 -2.11 114.93 114.42 1nit h MET 276 Ca 0.11 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1nit h MET 276 Cb 0.63 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1nit h MET 276 CO 0.04 0.92 0.52 -0.22 1.06 0.00 0.00 176.91 179.24 1nit h LYS 277 N 0.43 0.97 -0.37 1.72 3.64 -1.33 0.39 116.57 122.03 1nit h LYS 277 Ca 0.06 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1nit h LYS 277 Cb 0.75 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1nit h LYS 277 CO 0.06 0.64 0.15 -0.22 -2.27 0.00 0.00 179.45 177.81 1nit h LYS 278 N 1.00 0.54 -0.52 1.90 3.64 -1.27 -1.13 116.57 120.73 1nit h LYS 278 Ca 0.33 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1nit h LYS 278 Cb 0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1nit h LYS 278 CO -0.13 0.52 0.25 -0.92 -2.27 0.00 0.00 179.45 176.90 1nit h TYR 279 N 0.45 0.75 -0.52 1.91 3.20 -0.64 -1.68 116.97 120.44 1nit h TYR 279 Ca 0.12 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nit h TYR 279 Cb 0.17 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1nit h TYR 279 CO -0.01 0.59 0.33 -0.07 -1.64 0.00 0.00 178.16 177.36 1nit h LEU 280 N 0.69 0.55 -0.66 2.82 3.38 -0.76 -1.41 115.31 119.92 1nit h LEU 280 Ca 0.18 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1nit h LEU 280 Cb 0.12 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nit h LEU 280 CO -0.02 0.39 0.22 0.28 0.09 0.00 0.00 178.44 179.40 1nit h SER 281 N 0.66 0.94 0.84 -0.43 0.02 -1.03 0.40 113.55 114.95 1nit h SER 281 Ca 0.20 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nit h SER 281 Cb -0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1nit h SER 281 CO -0.07 0.89 0.00 1.17 -1.14 0.00 0.00 176.83 177.68 1nit n LYS 282 N -4.36 0.13 -1.05 3.45 3.00 -0.65 -2.87 118.16 115.81 1nit n LYS 282 Ca 0.04 0.29 -0.14 0.00 -0.00 0.00 0.00 58.31 58.50 1nit n LYS 282 Cb 0.20 -1.72 0.18 0.00 0.00 0.00 0.00 35.03 33.70 1nit n LYS 282 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1nit n THR 283 N -1.96 2.86 -1.11 3.15 -2.24 -0.56 -4.61 114.28 109.82 1nit n THR 283 Ca 0.04 -2.54 -0.04 0.00 -2.27 0.00 0.00 64.05 59.23 1nit n THR 283 Cb 0.26 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1nit n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nit n GLY 284 N -1.11 0.67 2.42 3.38 0.00 -1.14 -4.94 105.19 104.47 1nit n GLY 284 Ca 0.45 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1nit n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nit n ARG 285 N -2.71 2.74 0.03 1.61 1.74 0.14 -4.81 116.66 115.39 1nit n ARG 285 Ca -0.04 -3.93 0.06 0.00 -0.77 0.00 0.00 57.85 53.17 1nit n ARG 285 Cb 0.15 -1.95 0.47 0.00 -1.02 0.00 0.00 32.46 30.10 1nit n ARG 285 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nit h ALA 286 N 2.48 1.79 -0.22 7.54 0.00 -1.79 -1.81 119.26 127.25 1nit h ALA 286 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nit h ALA 286 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1nit h ALA 286 CO 0.58 0.17 -0.08 0.38 0.00 0.00 0.00 179.25 180.30 1nit h ASP 287 N 0.46 0.33 0.04 0.00 2.03 -1.93 0.29 116.42 117.64 1nit h ASP 287 Ca 0.15 -0.07 -0.26 0.00 -0.73 0.00 0.00 57.03 56.12 1nit h ASP 287 Cb 0.03 -0.09 0.02 0.00 -0.83 0.00 0.00 39.33 38.47 1nit h ASP 287 CO -0.03 0.46 -1.04 0.40 -1.03 0.00 0.00 179.24 177.99 1nit h ILE 288 N 0.33 1.31 -0.57 4.15 2.04 -1.77 -0.49 117.51 122.51 1nit h ILE 288 Ca 0.07 -2.29 -0.02 0.00 1.00 0.00 0.00 64.86 63.61 1nit h ILE 288 Cb 0.36 2.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1nit h ILE 288 CO 0.02 0.70 0.25 0.00 0.00 0.00 0.00 178.15 179.12 1nit h ALA 289 N 0.34 1.38 -0.34 1.87 0.00 -0.84 -0.58 119.26 121.09 1nit h ALA 289 Ca -0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1nit h ALA 289 Cb 1.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1nit h ALA 289 CO 0.20 0.48 -0.29 -0.91 0.00 0.00 0.00 179.25 178.73 1nit h ASN 290 N 0.80 0.84 -0.42 0.00 2.35 -0.80 -1.04 115.58 117.32 1nit h ASN 290 Ca 0.20 -0.46 -0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1nit h ASN 290 Cb 0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1nit h ASN 290 CO -0.02 1.12 0.12 0.25 -1.65 0.00 0.00 177.43 177.25 1nit h LEU 291 N 0.58 0.62 -1.27 1.61 5.85 -0.69 -2.83 115.31 119.18 1nit h LEU 291 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1nit h LEU 291 Cb 0.87 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1nit h LEU 291 CO 0.08 0.67 0.34 0.00 -0.34 0.00 0.00 178.44 179.18 1nit h ALA 292 N 0.97 1.45 -0.85 1.25 0.00 -1.03 -1.37 119.26 119.69 1nit h ALA 292 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1nit h ALA 292 Cb 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1nit h ALA 292 CO -0.00 0.46 0.55 -0.44 0.00 0.00 0.00 179.25 179.82 1nit h ASP 293 N 0.84 0.84 0.86 0.00 3.32 -0.94 -0.29 116.42 121.04 1nit h ASP 293 Ca 0.22 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1nit h ASP 293 Cb 0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1nit h ASP 293 CO -0.04 0.55 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.42 1nit h GLU 294 N 0.96 0.00 -0.32 3.56 5.08 -1.11 -3.16 114.58 119.59 1nit h GLU 294 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1nit h GLU 294 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1nit h GLU 294 CO -0.13 0.28 0.01 1.19 -1.00 0.00 0.00 179.01 179.36 1nit n PHE 295 N -3.47 1.09 -0.26 4.33 3.01 -0.46 -4.78 117.46 116.93 1nit n PHE 295 Ca -0.00 -1.11 0.19 0.00 1.01 0.00 0.00 57.45 57.54 1nit n PHE 295 Cb 0.45 -0.39 0.51 0.00 -0.01 0.00 0.00 39.48 40.03 1nit n PHE 295 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1nit h LYS 296 N 1.58 0.40 -0.39 -1.08 1.63 -1.07 -0.27 116.57 117.37 1nit h LYS 296 Ca 0.09 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1nit h LYS 296 Cb 1.58 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 33.10 1nit h LYS 296 CO 0.31 0.27 0.16 -0.44 -3.45 0.00 0.00 179.45 176.30 1nit h ASP 297 N 0.41 0.49 0.47 4.20 3.32 -1.87 -0.51 116.42 122.93 1nit h ASP 297 Ca 0.49 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1nit h ASP 297 Cb 1.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1nit h ASP 297 CO -0.19 0.44 0.00 1.41 -1.72 0.00 0.00 179.24 179.17 1nit n HIS 298 N -4.39 0.00 -0.31 4.55 8.25 -0.11 -3.86 115.22 119.35 1nit n HIS 298 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 1nit n HIS 298 Cb 0.13 -0.23 0.14 0.00 1.12 0.00 0.00 29.99 31.15 1nit n HIS 298 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nit n LEU 299 N -1.23 2.84 -4.27 2.41 4.77 -0.21 -4.78 117.00 116.53 1nit n LEU 299 Ca 0.16 -2.21 -0.15 0.00 -0.03 0.00 0.00 56.01 53.78 1nit n LEU 299 Cb 0.22 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1nit n LEU 299 CO 0.22 0.67 -0.41 0.68 -1.33 0.00 0.00 177.39 177.23 1nit s VAL 300 N -1.37 1.21 0.70 4.08 -7.23 -1.18 -2.08 120.40 114.53 1nit s VAL 300 Ca 0.21 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 1nit s VAL 300 Cb 0.14 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1nit s VAL 300 CO 0.11 -0.70 1.12 -2.16 -0.31 0.00 0.00 175.10 173.16 1nit s PRO 301 N -3.75 2.52 0.50 4.82 0.04 -1.26 -4.58 135.00 133.29 1nit s PRO 301 Ca 0.18 1.40 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 1nit s PRO 301 Cb 0.03 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1nit s PRO 301 CO 0.02 -1.47 1.08 -0.51 0.04 0.00 0.00 177.00 176.15 1nit s ASP 302 N -2.69 6.12 0.24 6.66 1.01 -0.76 -4.89 116.67 122.36 1nit s ASP 302 Ca 0.67 2.04 -0.31 0.00 0.71 0.00 0.00 52.55 55.66 1nit s ASP 302 Cb -0.21 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.04 1nit s ASP 302 CO 0.46 -0.94 1.60 -0.55 0.21 0.00 0.00 175.17 175.95 1nit s SER 303 N -1.86 6.45 -1.10 0.27 0.15 -1.26 -2.16 113.70 114.18 1nit s SER 303 Ca 0.69 2.83 0.00 0.00 0.70 0.00 0.00 55.95 60.17 1nit s SER 303 Cb -0.20 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1nit s SER 303 CO 0.23 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1nit n GLY 304 N 2.94 0.45 3.78 9.45 0.00 -1.26 -4.80 105.19 115.75 1nit n GLY 304 Ca 0.11 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1nit n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nit s HIS 306 N -2.24 3.35 -0.02 0.00 5.65 -1.26 -4.98 115.29 115.79 1nit s HIS 306 Ca 0.67 0.27 -0.10 0.00 0.25 0.00 0.00 55.06 56.16 1nit s HIS 306 Cb -0.20 -2.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.92 1nit s HIS 306 CO 0.37 0.15 0.30 0.71 -0.65 0.00 0.00 174.74 175.61 1nit s TYR 307 N 0.80 3.63 -0.32 3.88 2.02 -1.26 -4.87 117.35 121.22 1nit s TYR 307 Ca 0.08 0.73 0.27 0.00 -0.37 0.00 0.00 57.07 57.77 1nit s TYR 307 Cb -0.13 -2.09 0.81 0.00 -0.40 0.00 0.00 41.96 40.15 1nit s TYR 307 CO 0.02 0.65 1.77 -0.44 -1.57 0.00 0.00 175.55 175.97 1nit h ASP 308 N 4.45 0.00 -3.88 2.29 3.32 -1.24 -3.44 116.42 117.93 1nit h ASP 308 Ca -0.52 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 1nit h ASP 308 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 1nit h ASP 308 CO 0.62 0.00 -0.23 -1.58 -1.72 0.00 0.00 179.24 176.33 1nit s GLN 309 N -3.35 0.48 -0.05 3.56 0.74 -1.24 -5.03 119.66 114.78 1nit s GLN 309 Ca 0.05 0.58 0.06 0.00 0.05 0.00 0.00 55.36 56.10 1nit s GLN 309 Cb 0.08 0.23 -0.01 0.00 1.10 0.00 0.00 33.01 34.41 1nit s GLN 309 CO 0.59 -0.06 -0.25 -1.17 -0.55 0.00 0.00 175.29 173.85 1nit s LEU 310 N 0.23 2.05 0.00 3.68 1.98 -1.26 -0.63 118.68 124.74 1nit s LEU 310 Ca -0.00 -0.49 0.06 0.00 -2.89 0.00 0.00 54.13 50.81 1nit s LEU 310 Cb -0.03 -1.32 -0.02 0.00 0.66 0.00 0.00 46.19 45.48 1nit s LEU 310 CO 0.00 0.25 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.90 1nit s ILE 311 N -0.26 1.52 -0.10 6.68 1.01 -0.06 -4.96 121.20 125.03 1nit s ILE 311 Ca -0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1nit s ILE 311 Cb -0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1nit s ILE 311 CO 0.02 0.35 -0.19 -0.70 0.00 0.00 0.00 174.94 174.42 1nit s GLU 312 N -0.65 3.08 -0.09 2.79 2.12 -1.26 -0.54 118.70 124.13 1nit s GLU 312 Ca 0.07 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1nit s GLU 312 Cb -0.08 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.91 1nit s GLU 312 CO -0.00 0.25 -0.14 0.42 -0.54 0.00 0.00 175.26 175.25 1nit s ILE 313 N 0.20 1.37 -0.49 -3.70 1.01 0.08 -4.95 121.20 114.72 1nit s ILE 313 Ca -0.11 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1nit s ILE 313 Cb -0.16 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.11 1nit s ILE 313 CO 0.06 0.41 0.58 0.21 0.00 0.00 0.00 174.94 176.21 1nit s ASN 314 N 0.89 6.22 0.48 3.58 2.47 -1.26 -0.37 114.94 126.95 1nit s ASN 314 Ca -0.09 -0.91 0.16 0.00 0.42 0.00 0.00 52.86 52.44 1nit s ASN 314 Cb -0.15 -2.27 1.17 0.00 -1.45 0.00 0.00 41.25 38.54 1nit s ASN 314 CO 0.00 -0.83 2.05 -0.07 -3.72 0.00 0.00 177.10 174.53 1nit h LEU 315 N 9.54 0.18 -0.97 3.21 4.07 -0.73 -2.28 115.31 128.32 1nit h LEU 315 Ca -0.27 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.59 1nit h LEU 315 Cb 1.10 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1nit h LEU 315 CO 0.94 0.11 -0.48 0.28 -1.08 0.00 0.00 178.44 178.21 1nit h SER 316 N 0.20 0.00 0.52 -0.43 0.02 -1.66 -2.86 113.55 109.34 1nit h SER 316 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1nit h SER 316 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1nit h SER 316 CO -0.03 0.48 -0.60 -0.62 -1.14 0.00 0.00 176.83 174.92 1nit n GLU 317 N -3.81 0.08 -2.24 3.45 4.71 -0.89 -4.88 120.64 117.05 1nit n GLU 317 Ca -0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 1nit n GLU 317 Cb 0.52 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 1nit n GLU 317 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1nit s LEU 318 N -3.29 4.42 0.27 -4.62 2.96 -1.03 -5.03 118.68 112.36 1nit s LEU 318 Ca 0.09 2.38 0.09 0.00 -0.22 0.00 0.00 54.13 56.48 1nit s LEU 318 Cb 0.16 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1nit s LEU 318 CO 0.72 -0.50 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.58 1nit s LYS 319 N -0.20 1.56 0.26 1.98 3.01 -1.26 -4.79 119.74 120.30 1nit s LYS 319 Ca 0.56 -1.74 -0.29 0.00 -1.01 0.00 0.00 55.97 53.48 1nit s LYS 319 Cb -0.36 -1.43 -0.14 0.00 -1.01 0.00 0.00 37.83 34.89 1nit s LYS 319 CO 0.38 0.20 1.08 -2.30 0.51 0.00 0.00 175.35 175.22 1nit n PRO 320 N -0.56 1.37 -4.44 -1.68 -0.02 -1.26 -4.92 135.00 123.49 1nit n PRO 320 Ca -0.06 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.68 1nit n PRO 320 Cb 0.61 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1nit n PRO 320 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1nit s HIS 321 N -0.76 2.06 -0.08 6.00 3.76 -1.26 -1.65 115.29 123.36 1nit s HIS 321 Ca 0.63 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.94 1nit s HIS 321 Cb -0.73 -1.08 0.04 0.00 1.11 0.00 0.00 32.58 31.91 1nit s HIS 321 CO 0.57 0.44 0.18 -1.50 -0.85 0.00 0.00 174.74 173.58 1nit s ILE 322 N -2.83 -0.04 0.09 0.60 2.07 0.08 -4.56 121.20 116.61 1nit s ILE 322 Ca 0.29 0.15 0.10 0.00 -1.41 0.00 0.00 60.65 59.78 1nit s ILE 322 Cb 0.01 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1nit s ILE 322 CO 0.12 0.06 -0.24 0.20 -1.91 0.00 0.00 174.94 173.18 1nit s ASN 323 N 1.09 3.43 0.00 4.50 -0.87 0.06 -1.24 114.94 121.90 1nit s ASN 323 Ca -0.08 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 50.58 1nit s ASN 323 Cb -0.10 -0.35 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 1nit s ASN 323 CO -0.06 0.22 0.00 0.61 -2.57 0.00 0.00 177.10 175.29 1nit n GLY 324 N 1.26 0.66 0.01 0.66 0.00 -0.22 -0.49 105.19 107.07 1nit n GLY 324 Ca -0.17 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 43.72 1nit n GLY 324 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nit n PRO 325 N -0.64 0.25 0.00 1.61 -0.04 -1.26 -4.86 135.00 130.06 1nit n PRO 325 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1nit n PRO 325 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1nit n PRO 325 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nit n PHE 326 N -1.82 0.00 -3.96 0.54 3.01 -1.26 -3.75 117.46 110.22 1nit n PHE 326 Ca 0.01 -0.30 -0.10 0.00 1.01 0.00 0.00 57.45 58.08 1nit n PHE 326 Cb 0.42 -0.03 -0.12 0.00 -0.01 0.00 0.00 39.48 39.75 1nit n PHE 326 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1nit s THR 327 N -0.59 0.09 -0.83 4.37 -4.23 -1.26 -4.05 115.64 109.14 1nit s THR 327 Ca 0.00 -0.74 0.25 0.00 -1.18 0.00 0.00 61.69 60.02 1nit s THR 327 Cb 0.00 -0.21 0.24 0.00 1.34 0.00 0.00 72.50 73.87 1nit s THR 327 CO 0.00 -0.41 1.78 -0.81 -0.54 0.00 0.00 174.62 174.64 1nit n PRO 328 N 1.87 0.12 0.00 3.99 -0.04 -1.26 -3.52 135.00 136.16 1nit n PRO 328 Ca -0.22 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1nit n PRO 328 Cb 0.56 -1.66 0.25 0.00 -0.04 0.00 0.00 33.50 32.61 1nit n PRO 328 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nit n ASP 329 N -1.87 1.76 -4.56 3.54 5.68 -1.26 -4.70 116.55 115.14 1nit n ASP 329 Ca 0.05 -1.39 -0.40 0.00 -0.50 0.00 0.00 54.79 52.55 1nit n ASP 329 Cb 0.33 0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1nit n ASP 329 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1nit s LEU 330 N -2.30 3.37 0.04 -2.12 0.20 -1.25 -4.01 118.68 112.60 1nit s LEU 330 Ca 0.26 -1.03 -0.09 0.00 0.69 0.00 0.00 54.13 53.95 1nit s LEU 330 Cb 0.19 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.34 1nit s LEU 330 CO 0.46 -1.74 0.35 0.00 -0.29 0.00 0.00 176.35 175.12 1nit s ALA 331 N 5.79 3.77 -0.02 5.97 0.00 -1.26 -1.06 121.76 134.95 1nit s ALA 331 Ca 0.46 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1nit s ALA 331 Cb -0.03 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1nit s ALA 331 CO -0.01 0.58 0.06 -1.01 0.00 0.00 0.00 175.76 175.39 1nit s HIS 332 N -1.31 -0.01 0.62 0.00 3.76 -0.37 -4.98 115.29 113.00 1nit s HIS 332 Ca 0.29 0.04 -0.18 0.00 -0.15 0.00 0.00 55.06 55.06 1nit s HIS 332 Cb -0.14 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 1nit s HIS 332 CO 0.16 -0.09 1.22 -2.14 -0.85 0.00 0.00 174.74 173.04 1nit s PRO 333 N -0.38 2.80 0.13 8.40 0.02 -1.26 -0.74 135.00 143.96 1nit s PRO 333 Ca -0.04 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 62.65 1nit s PRO 333 Cb -0.03 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1nit s PRO 333 CO 0.00 -1.35 1.73 0.28 -0.33 0.00 0.00 177.00 177.33 1nit h VAL 334 N 0.67 1.13 -1.61 3.83 2.07 -1.59 -1.43 116.25 119.32 1nit h VAL 334 Ca -0.50 -0.35 0.47 0.00 0.82 0.00 0.00 66.70 67.14 1nit h VAL 334 Cb 1.30 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1nit h VAL 334 CO 0.54 0.14 1.30 0.00 0.02 0.00 0.00 177.57 179.57 1nit h ALA 335 N 1.05 3.52 -0.00 1.67 0.00 -1.90 -1.19 119.26 122.41 1nit h ALA 335 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nit h ALA 335 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nit h ALA 335 CO -0.02 -2.13 -0.07 0.39 0.00 0.00 0.00 179.25 177.42 1nit n GLU 336 N -3.75 3.92 0.17 0.00 1.02 -0.61 -4.60 120.64 116.78 1nit n GLU 336 Ca 0.36 -0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 1nit n GLU 336 Cb 1.79 -0.76 0.49 0.00 -0.02 0.00 0.00 31.44 32.94 1nit n GLU 336 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1nit h VAL 337 N 0.18 1.11 -0.82 2.62 3.04 -0.43 -1.72 116.25 120.23 1nit h VAL 337 Ca 0.00 -0.49 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1nit h VAL 337 Cb 0.07 1.13 -0.04 0.00 -2.01 0.00 0.00 31.29 30.44 1nit h VAL 337 CO 0.00 0.15 0.40 1.23 -1.01 0.00 0.00 177.57 178.34 1nit h GLY 338 N 0.49 1.26 1.72 3.17 0.00 -1.72 0.71 103.07 108.69 1nit h GLY 338 Ca 0.03 -0.61 -0.22 0.00 0.00 0.00 0.00 47.33 46.53 1nit h GLY 338 CO 0.01 0.58 -0.96 1.76 0.00 0.00 0.00 176.54 177.93 1nit h SER 339 N 1.16 0.33 0.30 0.19 0.02 -1.74 -3.05 113.55 110.76 1nit h SER 339 Ca 0.28 -0.28 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1nit h SER 339 Cb 0.11 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1nit h SER 339 CO -0.04 1.11 -0.75 0.58 -1.14 0.00 0.00 176.83 176.60 1nit h VAL 340 N 0.12 1.39 0.01 2.27 2.07 -0.62 -2.18 116.25 119.31 1nit h VAL 340 Ca -0.06 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 1nit h VAL 340 Cb 1.62 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1nit h VAL 340 CO 0.15 0.66 -0.00 0.00 0.02 0.00 0.00 177.57 178.40 1nit h ALA 341 N 0.94 -0.01 -0.26 1.67 0.00 -0.97 0.12 119.26 120.75 1nit h ALA 341 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nit h ALA 341 Cb 1.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1nit h ALA 341 CO 0.13 -0.44 -0.16 1.49 0.00 0.00 0.00 179.25 180.26 1nit h GLU 342 N -0.14 -0.14 -0.47 0.00 4.81 -1.50 0.21 114.58 117.35 1nit h GLU 342 Ca -0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1nit h GLU 342 Cb 0.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nit h GLU 342 CO 0.00 -0.09 0.30 -0.22 -0.73 0.00 0.00 179.01 178.27 1nit h LYS 343 N -0.14 0.64 -0.00 1.92 3.64 -1.21 -3.14 116.57 118.27 1nit h LYS 343 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1nit h LYS 343 Cb 0.35 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1nit h LYS 343 CO -0.35 0.45 -0.24 -1.91 -2.27 0.00 0.00 179.45 175.14 1nit n GLU 344 N -4.73 0.40 -2.50 1.90 4.07 0.40 -4.93 120.64 115.25 1nit n GLU 344 Ca 0.02 -0.18 -0.02 0.00 -0.06 0.00 0.00 57.16 56.93 1nit n GLU 344 Cb 0.04 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 29.93 1nit n GLU 344 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nit n GLY 345 N 1.39 0.79 3.77 8.31 0.00 0.61 -5.05 105.19 115.01 1nit n GLY 345 Ca 0.10 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1nit n GLY 345 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nit s TRP 346 N -3.02 3.43 0.05 1.61 0.51 -0.37 -5.04 118.94 116.12 1nit s TRP 346 Ca 0.03 0.35 -0.34 0.00 -2.12 0.00 0.00 56.10 54.02 1nit s TRP 346 Cb -0.01 -2.03 -0.13 0.00 -0.81 0.00 0.00 33.47 30.49 1nit s TRP 346 CO 0.05 0.46 1.70 -2.30 -0.51 0.00 0.00 176.95 176.35 1nit n PRO 347 N 2.79 2.14 0.19 4.98 -0.02 -1.26 -4.42 135.00 139.40 1nit n PRO 347 Ca -0.18 0.78 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1nit n PRO 347 Cb 0.53 -2.58 0.17 0.00 -0.02 0.00 0.00 33.50 31.61 1nit n PRO 347 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nit h LEU 348 N 7.30 0.00 -9.47 2.45 -0.00 -1.96 -3.43 115.31 110.21 1nit h LEU 348 Ca -0.46 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 56.82 1nit h LEU 348 Cb 1.26 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.85 1nit h LEU 348 CO 0.91 0.24 -0.22 1.51 -0.00 0.00 0.00 178.44 180.88 1nit s ASP 349 N -6.28 6.66 -0.33 -0.43 -4.77 -1.26 -0.83 116.67 109.42 1nit s ASP 349 Ca 0.05 0.78 -0.14 0.00 -3.30 0.00 0.00 52.55 49.94 1nit s ASP 349 Cb 0.07 -2.24 -0.02 0.00 -1.09 0.00 0.00 42.92 39.64 1nit s ASP 349 CO 0.69 0.17 0.32 -0.63 0.70 0.00 0.00 175.17 176.42 1nit s ILE 350 N -0.14 5.20 -0.10 2.11 1.01 -0.18 -3.90 121.20 125.21 1nit s ILE 350 Ca 0.22 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 1nit s ILE 350 Cb -0.15 -3.76 -0.24 0.00 0.01 0.00 0.00 42.46 38.32 1nit s ILE 350 CO 0.10 -0.01 0.93 0.03 0.00 0.00 0.00 174.94 175.98 1nit h ARG 351 N 8.42 -0.00 -4.71 2.79 2.47 -1.23 -3.40 114.38 118.73 1nit h ARG 351 Ca -0.31 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 57.96 1nit h ARG 351 Cb 1.15 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 29.16 1nit h ARG 351 CO 0.66 0.82 -0.80 0.08 0.56 0.00 0.00 179.97 181.30 1nit s VAL 352 N -2.89 0.90 -0.19 2.04 1.01 -1.25 -0.72 120.40 119.30 1nit s VAL 352 Ca -0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1nit s VAL 352 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1nit s VAL 352 CO 0.68 0.28 -0.02 -0.83 0.00 0.00 0.00 175.10 175.20 1nit s GLY 353 N 0.18 1.69 -0.19 4.51 0.00 0.11 -1.93 107.32 111.69 1nit s GLY 353 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1nit s GLY 353 CO 0.01 0.15 -0.14 1.08 0.00 0.00 0.00 173.10 174.19 1nit s LEU 354 N 0.84 2.20 0.32 0.66 1.02 -0.31 -1.18 118.68 122.23 1nit s LEU 354 Ca -0.00 -0.76 0.08 0.00 0.02 0.00 0.00 54.13 53.46 1nit s LEU 354 Cb -0.14 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 1nit s LEU 354 CO 0.02 -0.08 0.15 0.27 0.02 0.00 0.00 176.35 176.73 1nit s ILE 355 N 1.36 3.37 0.00 -0.59 -4.36 -0.59 -1.50 121.20 118.89 1nit s ILE 355 Ca 0.01 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1nit s ILE 355 Cb -0.15 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.51 1nit s ILE 355 CO -0.10 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.46 1nit n GLY 356 N -1.16 0.62 0.66 6.27 0.00 -1.19 -0.94 105.19 109.46 1nit n GLY 356 Ca -0.04 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1nit n GLY 356 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nit n SER 357 N 0.00 -3.96 0.24 1.61 3.41 -1.23 -3.42 113.62 110.28 1nit n SER 357 Ca 0.00 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1nit n SER 357 Cb 0.00 -2.10 0.61 0.00 -0.26 0.00 0.00 64.21 62.46 1nit n SER 357 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nit h THR 359 N 0.00 1.20 -0.46 0.00 2.02 -1.87 -3.37 112.91 110.43 1nit h THR 359 Ca -0.00 -0.85 -0.29 0.00 0.77 0.00 0.00 66.41 66.03 1nit h THR 359 Cb 0.48 1.08 -0.22 0.00 -1.74 0.00 0.00 68.15 67.74 1nit h THR 359 CO 0.02 0.28 -0.62 0.59 0.37 0.00 0.00 175.52 176.16 1nit n ASN 360 N -4.25 -1.37 -1.10 4.18 5.03 -0.51 -4.54 115.26 112.69 1nit n ASN 360 Ca 0.01 -3.25 0.04 0.00 0.87 0.00 0.00 54.58 52.25 1nit n ASN 360 Cb 0.27 1.08 0.11 0.00 -1.02 0.00 0.00 39.78 40.23 1nit n ASN 360 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nit n SER 361 N 0.12 1.44 -4.48 6.41 3.41 -0.97 -3.14 113.62 116.42 1nit n SER 361 Ca 0.08 -2.97 -0.29 0.00 -0.26 0.00 0.00 58.87 55.43 1nit n SER 361 Cb 0.73 -0.42 0.15 0.00 -0.26 0.00 0.00 64.21 64.42 1nit n SER 361 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nit s SER 362 N -2.67 3.29 0.18 4.04 1.04 -1.26 -3.65 113.70 114.66 1nit s SER 362 Ca 0.36 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 1nit s SER 362 Cb 0.38 -1.00 0.08 0.00 0.10 0.00 0.00 66.02 65.58 1nit s SER 362 CO -0.11 -2.66 1.71 0.22 0.98 0.00 0.00 173.24 173.38 1nit h TYR 363 N -1.58 0.98 -0.40 5.02 3.20 -1.96 -1.03 116.97 121.21 1nit h TYR 363 Ca -0.47 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.23 1nit h TYR 363 Cb 1.30 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1nit h TYR 363 CO -0.48 0.80 -0.08 1.49 -1.64 0.00 0.00 178.16 178.26 1nit h GLU 364 N 0.88 0.67 -0.35 1.82 4.81 -1.74 -0.14 114.58 120.53 1nit h GLU 364 Ca 0.20 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1nit h GLU 364 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1nit h GLU 364 CO -0.01 0.74 -0.23 -0.44 -0.73 0.00 0.00 179.01 178.34 1nit h ASP 365 N 0.62 0.81 -0.18 1.04 3.32 -1.74 -0.57 116.42 119.73 1nit h ASP 365 Ca 0.12 -0.43 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 1nit h ASP 365 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1nit h ASP 365 CO 0.03 1.07 -0.35 0.24 -1.72 0.00 0.00 179.24 178.50 1nit h MET 366 N 0.56 0.69 -0.66 3.56 2.86 -1.10 -1.96 114.93 118.88 1nit h MET 366 Ca 0.07 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.30 1nit h MET 366 Cb 0.79 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1nit h MET 366 CO 0.06 0.94 0.10 0.78 1.06 0.00 0.00 176.91 179.86 1nit h GLY 367 N 0.97 1.18 0.93 8.32 0.00 -0.72 -0.86 103.07 112.89 1nit h GLY 367 Ca 0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.49 1nit h GLY 367 CO 0.08 0.73 -0.30 3.21 0.00 0.00 0.00 176.54 180.26 1nit h ARG 368 N 1.02 0.63 -0.67 4.80 3.08 -0.93 -1.11 114.38 121.20 1nit h ARG 368 Ca 0.20 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1nit h ARG 368 Cb 0.44 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1nit h ARG 368 CO 0.01 0.96 0.33 0.77 -1.07 0.00 0.00 179.97 180.97 1nit h SER 369 N 0.34 0.87 0.15 7.04 0.02 -1.31 -2.05 113.55 118.60 1nit h SER 369 Ca 0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1nit h SER 369 Cb 0.87 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1nit h SER 369 CO 0.07 0.75 -0.16 0.00 -1.14 0.00 0.00 176.83 176.35 1nit h ALA 370 N 1.15 1.69 -0.10 3.77 0.00 -1.06 -1.05 119.26 123.66 1nit h ALA 370 Ca 0.23 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1nit h ALA 370 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nit h ALA 370 CO -0.03 0.24 -0.56 0.00 0.00 0.00 0.00 179.25 178.90 1nit h ALA 371 N 1.80 0.87 -0.04 0.00 0.00 -0.50 0.14 119.26 121.54 1nit h ALA 371 Ca 0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1nit h ALA 371 Cb 0.31 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nit h ALA 371 CO 0.02 0.70 -0.40 0.28 0.00 0.00 0.00 179.25 179.85 1nit h VAL 372 N 0.22 1.45 -0.82 0.00 2.07 -1.04 -3.28 116.25 114.85 1nit h VAL 372 Ca 0.00 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 65.65 1nit h VAL 372 Cb 1.05 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 1nit h VAL 372 CO 0.09 0.54 0.54 0.00 0.02 0.00 0.00 177.57 178.75 1nit h ALA 373 N 0.36 1.40 0.00 1.67 0.00 -1.07 -2.56 119.26 119.07 1nit h ALA 373 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1nit h ALA 373 Cb 1.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1nit h ALA 373 CO 0.08 0.55 -0.23 1.57 0.00 0.00 0.00 179.25 181.22 1nit h LYS 374 N 1.11 0.00 -0.25 0.00 5.09 -0.78 -2.26 116.57 119.48 1nit h LYS 374 Ca 0.30 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.92 1nit h LYS 374 Cb -0.12 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.21 1nit h LYS 374 CO -0.06 0.23 -0.31 1.96 -2.09 0.00 0.00 179.45 179.18 1nit h GLN 375 N 0.00 0.65 -0.70 0.07 4.20 -1.54 -1.54 115.11 116.24 1nit h GLN 375 Ca -0.00 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 1nit h GLN 375 Cb 0.54 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1nit h GLN 375 CO 0.03 0.97 0.26 0.00 -0.67 0.00 0.00 178.83 179.42 1nit h ALA 376 N 0.66 0.92 -0.86 3.87 0.00 -1.33 -2.51 119.26 120.01 1nit h ALA 376 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1nit h ALA 376 Cb 0.88 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1nit h ALA 376 CO 0.07 0.56 0.45 -0.07 0.00 0.00 0.00 179.25 180.26 1nit h LEU 377 N 1.02 1.10 -1.16 0.00 3.38 -1.39 0.19 115.31 118.45 1nit h LEU 377 Ca 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nit h LEU 377 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1nit h LEU 377 CO -0.01 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.42 1nit h ALA 378 N 1.24 1.00 -0.37 1.53 0.00 -0.83 -1.13 119.26 120.69 1nit h ALA 378 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nit h ALA 378 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nit h ALA 378 CO -0.04 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.93 1nit n HIS 379 N -2.32 0.97 -1.77 0.00 8.25 -0.44 -4.97 115.22 114.94 1nit n HIS 379 Ca 0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 57.72 56.67 1nit n HIS 379 Cb 0.14 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1nit n HIS 379 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nit n GLY 380 N 0.13 0.43 3.82 -1.41 0.00 -0.43 -0.55 105.19 107.18 1nit n GLY 380 Ca 0.20 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1nit n GLY 380 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nit s LEU 381 N -2.06 3.80 0.30 0.99 1.43 -0.07 -4.58 118.68 118.49 1nit s LEU 381 Ca 0.00 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1nit s LEU 381 Cb 0.00 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1nit s LEU 381 CO 0.00 -0.03 0.15 -0.54 0.23 0.00 0.00 176.35 176.16 1nit s LYS 382 N -3.81 1.60 0.32 1.70 1.02 -1.26 -3.90 119.74 115.40 1nit s LYS 382 Ca 0.33 -1.91 -0.29 0.00 0.02 0.00 0.00 55.97 54.12 1nit s LYS 382 Cb -0.08 -0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 36.99 1nit s LYS 382 CO 0.25 -0.44 1.49 0.00 -0.92 0.00 0.00 175.35 175.73 1nit h LYS 384 N 4.08 0.31 -7.41 0.00 3.11 -1.11 -3.46 116.57 112.08 1nit h LYS 384 Ca -0.48 -0.53 -0.50 0.00 -2.81 0.00 0.00 60.65 56.33 1nit h LYS 384 Cb 1.23 0.20 0.07 0.00 -1.00 0.00 0.00 32.23 32.73 1nit h LYS 384 CO 0.72 1.25 0.41 -1.12 -2.81 0.00 0.00 179.45 177.90 1nit s SER 385 N -7.13 5.69 0.75 4.20 0.01 -0.45 -4.95 113.70 111.83 1nit s SER 385 Ca -0.17 1.31 -0.14 0.00 1.31 0.00 0.00 55.95 58.26 1nit s SER 385 Cb 0.04 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 64.10 1nit s SER 385 CO 0.81 -1.20 1.17 -1.58 0.41 0.00 0.00 173.24 172.85 1nit s GLN 386 N -5.24 2.08 -0.12 12.44 0.74 0.10 -4.85 119.66 124.81 1nit s GLN 386 Ca 0.57 1.62 -0.04 0.00 0.05 0.00 0.00 55.36 57.56 1nit s GLN 386 Cb -0.12 -1.84 0.06 0.00 1.10 0.00 0.00 33.01 32.22 1nit s GLN 386 CO 0.53 -1.85 0.21 0.12 -0.55 0.00 0.00 175.29 173.75 1nit s PHE 387 N -2.21 -0.30 0.24 1.67 5.36 -1.26 -0.71 117.98 120.77 1nit s PHE 387 Ca 0.71 0.70 0.11 0.00 -0.96 0.00 0.00 56.93 57.49 1nit s PHE 387 Cb -0.26 -0.19 -0.05 0.00 -0.34 0.00 0.00 43.02 42.19 1nit s PHE 387 CO 0.47 -0.36 -0.17 0.95 -1.46 0.00 0.00 175.22 174.65 1nit s THR 388 N 2.35 2.68 -0.08 0.12 -4.23 -0.32 -0.94 115.64 115.21 1nit s THR 388 Ca 0.03 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1nit s THR 388 Cb -0.13 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1nit s THR 388 CO -0.08 -0.28 0.02 -0.63 -0.54 0.00 0.00 174.62 173.11 1nit s ILE 389 N -2.16 0.26 -0.41 2.99 1.01 -0.09 -1.54 121.20 121.25 1nit s ILE 389 Ca 0.27 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 1nit s ILE 389 Cb -0.06 -0.49 0.07 0.00 0.01 0.00 0.00 42.46 41.98 1nit s ILE 389 CO 0.14 0.17 0.25 -0.89 0.00 0.00 0.00 174.94 174.62 1nit s THR 390 N 2.02 4.29 0.32 2.92 2.01 -0.12 -0.88 115.64 126.20 1nit s THR 390 Ca 0.04 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 1nit s THR 390 Cb -0.13 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.69 1nit s THR 390 CO -0.05 -0.46 1.54 -2.84 -0.69 0.00 0.00 174.62 172.11 1nit s PRO 391 N 1.45 4.13 0.48 4.92 0.02 -1.26 -3.51 135.00 141.23 1nit s PRO 391 Ca 0.03 2.55 0.28 0.00 0.02 0.00 0.00 61.00 63.88 1nit s PRO 391 Cb -0.22 -3.01 0.86 0.00 0.02 0.00 0.00 34.50 32.15 1nit s PRO 391 CO 0.03 -0.57 1.80 0.78 -0.33 0.00 0.00 177.00 178.71 1nit h GLY 392 N 4.10 0.00 -1.68 0.52 0.00 -1.87 -3.38 103.07 100.76 1nit h GLY 392 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1nit h GLY 392 CO 0.73 0.00 0.17 -1.35 0.00 0.00 0.00 176.54 176.09 1nit s SER 393 N -5.98 -0.05 0.15 0.19 1.04 -1.26 -0.60 113.70 107.19 1nit s SER 393 Ca 0.03 -0.92 -0.10 0.00 0.48 0.00 0.00 55.95 55.45 1nit s SER 393 Cb 0.07 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 1nit s SER 393 CO 0.61 -1.44 1.46 -0.08 0.98 0.00 0.00 173.24 174.77 1nit h GLU 394 N 2.04 0.86 -0.63 4.02 4.57 -1.46 -0.87 114.58 123.12 1nit h GLU 394 Ca -0.26 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 1nit h GLU 394 Cb 1.25 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 1nit h GLU 394 CO 0.32 1.14 0.39 0.37 -1.18 0.00 0.00 179.01 180.05 1nit h GLN 395 N 0.69 0.84 -0.36 1.92 4.15 -1.76 0.79 115.11 121.37 1nit h GLN 395 Ca 0.04 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1nit h GLN 395 Cb 1.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1nit h GLN 395 CO 0.11 0.58 -0.07 0.82 -1.93 0.00 0.00 178.83 178.34 1nit h ILE 396 N 0.85 1.27 0.02 2.39 2.04 -1.75 -0.43 117.51 121.89 1nit h ILE 396 Ca 0.23 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.98 1nit h ILE 396 Cb -0.05 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1nit h ILE 396 CO -0.05 0.37 -0.12 -0.09 0.00 0.00 0.00 178.15 178.27 1nit h ARG 397 N 0.47 -0.20 -0.93 2.37 2.43 -0.87 0.08 114.38 117.75 1nit h ARG 397 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1nit h ARG 397 Cb 0.57 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1nit h ARG 397 CO 0.03 -0.13 0.59 0.00 -1.51 0.00 0.00 179.97 178.95 1nit h ALA 398 N 0.74 1.18 -0.12 2.80 0.00 -0.76 -1.93 119.26 121.17 1nit h ALA 398 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1nit h ALA 398 Cb 0.25 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nit h ALA 398 CO -0.10 0.60 -0.69 1.15 0.00 0.00 0.00 179.25 180.21 1nit h THR 399 N 1.26 1.31 0.00 0.00 2.02 -0.81 -0.89 112.91 115.81 1nit h THR 399 Ca 0.34 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1nit h THR 399 Cb -0.11 2.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1nit h THR 399 CO -0.07 0.60 -0.05 0.16 0.37 0.00 0.00 175.52 176.53 1nit h ILE 400 N 0.36 0.12 -0.04 3.11 3.07 -0.90 -0.27 117.51 122.96 1nit h ILE 400 Ca -0.05 -0.85 -0.02 0.00 1.55 0.00 0.00 64.86 65.48 1nit h ILE 400 Cb 1.33 1.77 -0.00 0.00 -0.27 0.00 0.00 36.82 39.65 1nit h ILE 400 CO 0.14 0.05 -0.06 -0.08 -1.05 0.00 0.00 178.15 177.15 1nit h GLU 401 N 0.00 0.12 -0.52 0.16 4.57 -1.22 0.20 114.58 117.88 1nit h GLU 401 Ca -0.00 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1nit h GLU 401 Cb 0.76 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1nit h GLU 401 CO 0.01 0.62 0.26 -0.09 -1.18 0.00 0.00 179.01 178.63 1nit h ARG 402 N -0.37 0.74 -0.37 1.92 1.12 -0.69 -2.18 114.38 114.56 1nit h ARG 402 Ca 0.00 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1nit h ARG 402 Cb 0.61 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1nit h ARG 402 CO 0.02 0.61 0.00 -0.25 -3.11 0.00 0.00 179.97 177.23 1nit n ASP 403 N -4.60 1.88 0.00 -3.80 8.00 -0.15 -4.90 116.55 112.98 1nit n ASP 403 Ca 0.02 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1nit n ASP 403 Cb 0.11 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1nit n ASP 403 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nit n GLY 404 N 0.97 0.71 0.10 0.44 0.00 -0.82 -4.92 105.19 101.66 1nit n GLY 404 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1nit n GLY 404 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nit h TYR 405 N 0.00 0.26 -0.60 1.61 0.05 -1.21 -3.21 116.97 113.87 1nit h TYR 405 Ca 0.00 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 1nit h TYR 405 Cb 0.00 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1nit h TYR 405 CO 0.00 1.08 0.01 0.00 -1.05 0.00 0.00 178.16 178.20 1nit h ALA 406 N 0.86 0.89 -0.71 3.88 0.00 -1.73 -2.18 119.26 120.27 1nit h ALA 406 Ca -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1nit h ALA 406 Cb 1.74 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1nit h ALA 406 CO 0.15 0.66 0.28 0.37 0.00 0.00 0.00 179.25 180.71 1nit h GLN 407 N 0.95 1.06 -0.38 0.00 5.75 -1.84 0.10 115.11 120.75 1nit h GLN 407 Ca 0.17 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1nit h GLN 407 Cb 0.53 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1nit h GLN 407 CO 0.03 0.86 0.20 0.28 -2.65 0.00 0.00 178.83 177.54 1nit h VAL 408 N 1.03 1.16 -0.46 2.39 2.07 -1.49 0.21 116.25 121.16 1nit h VAL 408 Ca 0.24 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1nit h VAL 408 Cb 0.20 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1nit h VAL 408 CO -0.02 0.17 -0.08 -0.07 0.02 0.00 0.00 177.57 177.59 1nit h LEU 409 N 0.48 0.81 -0.33 2.57 3.38 -1.14 -1.69 115.31 119.39 1nit h LEU 409 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1nit h LEU 409 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1nit h LEU 409 CO -0.02 0.92 0.11 0.03 0.09 0.00 0.00 178.44 179.57 1nit h ARG 410 N 0.75 0.51 -0.31 1.13 3.08 -0.42 -1.81 114.38 117.30 1nit h ARG 410 Ca 0.13 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1nit h ARG 410 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1nit h ARG 410 CO 0.03 0.54 0.18 -0.44 -1.07 0.00 0.00 179.97 179.22 1nit h ASP 411 N 0.38 0.36 0.02 7.04 3.32 0.06 -0.71 116.42 126.89 1nit h ASP 411 Ca 0.11 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nit h ASP 411 Cb 0.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1nit h ASP 411 CO -0.00 0.29 0.00 1.33 -1.72 0.00 0.00 179.24 179.13 1nit n VAL 412 N -4.47 0.01 0.00 -1.35 0.24 -0.70 -4.85 118.33 107.22 1nit n VAL 412 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1nit n VAL 412 Cb 0.08 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1nit n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nit n GLY 413 N 0.67 1.36 3.87 7.63 0.00 -0.28 -0.57 105.19 117.87 1nit n GLY 413 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1nit n GLY 413 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nit s GLY 414 N -2.00 2.14 -0.15 -0.02 0.00 -0.69 -4.38 107.32 102.22 1nit s GLY 414 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 1nit s GLY 414 CO 0.00 -0.03 -0.10 -1.50 0.00 0.00 0.00 173.10 171.47 1nit s ILE 415 N -2.07 3.21 -0.26 0.90 1.10 -0.12 -4.41 121.20 119.56 1nit s ILE 415 Ca 0.50 -0.59 -0.22 0.00 -0.51 0.00 0.00 60.65 59.83 1nit s ILE 415 Cb -0.11 -2.38 -0.01 0.00 0.15 0.00 0.00 42.46 40.11 1nit s ILE 415 CO 0.24 0.50 0.70 -0.69 -2.11 0.00 0.00 174.94 173.58 1nit s VAL 416 N 0.57 4.92 0.49 4.00 1.01 -1.26 -0.92 120.40 129.22 1nit s VAL 416 Ca -0.07 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1nit s VAL 416 Cb -0.15 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 1nit s VAL 416 CO 0.03 -0.03 0.74 -0.76 0.00 0.00 0.00 175.10 175.08 1nit s LEU 417 N 2.64 3.55 1.02 3.92 1.43 -0.06 -0.70 118.68 130.48 1nit s LEU 417 Ca 0.29 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 1nit s LEU 417 Cb -0.15 -3.35 0.14 0.00 0.03 0.00 0.00 46.19 42.86 1nit s LEU 417 CO 0.09 -0.77 0.75 0.00 0.23 0.00 0.00 176.35 176.64 1nit n ALA 418 N -2.22 -2.26 -2.66 4.21 0.00 -1.26 -4.37 120.51 111.94 1nit n ALA 418 Ca 0.02 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 1nit n ALA 418 Cb 0.57 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1nit n ALA 418 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nit n ASN 419 N -3.23 5.00 -3.73 0.00 3.02 -1.26 -4.62 115.26 110.43 1nit n ASN 419 Ca 0.07 -2.93 -0.09 0.00 -0.03 0.00 0.00 54.58 51.60 1nit n ASN 419 Cb 0.54 -1.71 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 1nit n ASN 419 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nit s ALA 420 N 3.65 -1.20 0.12 5.41 0.00 -1.26 -3.52 121.76 124.96 1nit s ALA 420 Ca 0.52 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 1nit s ALA 420 Cb 0.03 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1nit s ALA 420 CO 0.06 -0.91 1.69 0.00 0.00 0.00 0.00 175.76 176.60 1nit n GLY 422 N -1.24 3.62 0.32 0.00 0.00 -1.26 -1.70 105.19 104.94 1nit n GLY 422 Ca -0.03 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1nit n GLY 422 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nit h PRO 423 N 0.00 0.00 -0.01 1.61 0.11 -1.88 -0.92 132.00 130.90 1nit h PRO 423 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nit h PRO 423 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nit h PRO 423 CO 0.00 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 177.80 1nit n ILE 425 N -4.45 2.15 -0.94 0.00 -6.64 -1.01 -4.75 119.36 103.71 1nit n ILE 425 Ca -0.03 -2.67 0.00 0.00 -1.77 0.00 0.00 62.75 58.29 1nit n ILE 425 Cb 0.10 -0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.05 1nit n ILE 425 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1nit n GLY 426 N -1.18 0.49 3.16 3.28 0.00 -0.70 -2.90 105.19 107.34 1nit n GLY 426 Ca 0.20 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1nit n GLY 426 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nit n GLN 427 N -2.94 3.52 -3.62 1.61 1.13 -0.38 -4.58 117.38 112.12 1nit n GLN 427 Ca 0.00 -3.72 -0.15 0.00 -1.94 0.00 0.00 57.00 51.19 1nit n GLN 427 Cb 0.00 -2.96 -0.14 0.00 0.11 0.00 0.00 30.24 27.25 1nit n GLN 427 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1nit s TRP 428 N 0.84 -0.34 -1.24 1.08 -0.00 -1.26 -0.63 118.94 117.38 1nit s TRP 428 Ca 0.41 0.73 -0.15 0.00 -0.00 0.00 0.00 56.10 57.09 1nit s TRP 428 Cb 0.03 -0.16 0.14 0.00 -0.00 0.00 0.00 33.47 33.49 1nit s TRP 428 CO 0.00 -0.39 1.54 -3.47 -0.00 0.00 0.00 176.95 174.64 1nit n ASP 429 N 5.34 5.13 -4.64 5.86 2.03 -0.14 -4.92 116.55 125.21 1nit n ASP 429 Ca -0.06 -2.96 -0.42 0.00 0.52 0.00 0.00 54.79 51.87 1nit n ASP 429 Cb 0.50 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 1nit n ASP 429 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1nit s ARG 430 N 2.26 4.17 0.00 -0.67 6.06 -1.26 -4.87 118.95 124.64 1nit s ARG 430 Ca 0.46 1.05 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 1nit s ARG 430 Cb -0.00 -3.67 0.00 0.00 0.06 0.00 0.00 34.95 31.34 1nit s ARG 430 CO 0.02 -0.62 0.20 1.63 -2.50 0.00 0.00 175.30 174.03 1nit n LYS 431 N 6.25 2.78 0.17 5.12 4.76 -1.26 -4.71 118.16 131.26 1nit n LYS 431 Ca 0.08 -0.20 0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1nit n LYS 431 Cb 0.47 -0.66 0.45 0.00 -1.84 0.00 0.00 35.03 33.45 1nit n LYS 431 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1nit h ASP 432 N 0.00 0.00 -3.65 4.39 2.03 -2.04 -3.44 116.42 113.71 1nit h ASP 432 Ca 0.00 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.85 1nit h ASP 432 Cb 0.03 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.37 1nit h ASP 432 CO 0.00 0.00 -0.75 0.27 -1.03 0.00 0.00 179.24 177.73 1nit s ILE 433 N -3.30 1.58 0.60 4.15 -5.25 -1.26 -5.15 121.20 112.56 1nit s ILE 433 Ca 0.06 -1.95 -0.03 0.00 -0.99 0.00 0.00 60.65 57.74 1nit s ILE 433 Cb 0.09 -1.80 0.03 0.00 2.95 0.00 0.00 42.46 43.74 1nit s ILE 433 CO 0.53 -0.47 0.87 -1.59 -1.79 0.00 0.00 174.94 172.49 1nit s LYS 434 N -3.08 2.59 0.49 0.37 -2.85 -1.26 -4.98 119.74 111.01 1nit s LYS 434 Ca 0.15 -0.38 -0.22 0.00 -1.00 0.00 0.00 55.97 54.52 1nit s LYS 434 Cb -0.03 -2.34 -0.07 0.00 -2.06 0.00 0.00 37.83 33.33 1nit s LYS 434 CO 0.05 -0.82 1.16 0.21 0.10 0.00 0.00 175.35 176.04 1nit s LYS 435 N -4.95 3.62 0.00 1.78 2.47 -1.26 -1.98 119.74 119.42 1nit s LYS 435 Ca 0.56 1.74 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 1nit s LYS 435 Cb -0.10 -2.28 0.00 0.00 -1.46 0.00 0.00 37.83 33.98 1nit s LYS 435 CO 0.42 -0.66 0.00 0.41 0.16 0.00 0.00 175.35 175.68 1nit n GLY 436 N 0.37 1.83 3.69 5.54 0.00 -1.26 -5.00 105.19 110.36 1nit n GLY 436 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1nit n GLY 436 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nit s GLU 437 N -0.03 4.42 0.16 1.61 2.12 -0.84 -4.81 118.70 121.33 1nit s GLU 437 Ca 0.00 1.43 -0.30 0.00 0.36 0.00 0.00 54.97 56.46 1nit s GLU 437 Cb 0.00 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1nit s GLU 437 CO 0.00 -0.31 1.19 0.21 -0.54 0.00 0.00 175.26 175.81 1nit s LYS 438 N 1.96 4.49 0.12 4.30 2.20 -1.26 -4.39 119.74 127.16 1nit s LYS 438 Ca 0.49 1.84 -0.26 0.00 -0.36 0.00 0.00 55.97 57.69 1nit s LYS 438 Cb -0.19 -3.27 0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1nit s LYS 438 CO 0.19 -0.11 0.92 0.54 -0.36 0.00 0.00 175.35 176.52 1nit s ASN 439 N 0.32 -0.24 -0.10 1.43 4.22 -0.98 -5.00 114.94 114.60 1nit s ASN 439 Ca 0.54 -0.30 0.03 0.00 -2.14 0.00 0.00 52.86 50.98 1nit s ASN 439 Cb -0.32 0.48 0.01 0.00 1.28 0.00 0.00 41.25 42.70 1nit s ASN 439 CO 0.35 -0.86 -0.18 -0.89 -2.04 0.00 0.00 177.10 173.48 1nit s THR 440 N -3.30 1.62 -0.00 0.54 2.01 -1.25 -0.21 115.64 115.05 1nit s THR 440 Ca 0.10 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1nit s THR 440 Cb -0.02 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1nit s THR 440 CO -0.01 0.46 -0.24 0.27 -0.69 0.00 0.00 174.62 174.41 1nit s ILE 441 N 0.67 1.94 -0.04 1.82 -4.36 -0.72 -0.71 121.20 119.80 1nit s ILE 441 Ca -0.13 -1.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.19 1nit s ILE 441 Cb -0.16 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 1nit s ILE 441 CO 0.03 0.48 -0.18 0.68 0.24 0.00 0.00 174.94 176.19 1nit s VAL 442 N -0.64 2.73 0.20 8.37 -7.23 -0.81 -1.87 120.40 121.16 1nit s VAL 442 Ca 0.10 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 1nit s VAL 442 Cb -0.09 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1nit s VAL 442 CO -0.00 0.58 -0.10 0.42 -0.31 0.00 0.00 175.10 175.69 1nit s THR 443 N -0.63 1.47 -0.66 5.32 -4.23 -0.05 -1.16 115.64 115.70 1nit s THR 443 Ca 0.10 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1nit s THR 443 Cb -0.11 -2.10 0.46 0.00 1.34 0.00 0.00 72.50 72.09 1nit s THR 443 CO 0.00 -0.55 2.02 -1.54 -0.54 0.00 0.00 174.62 174.02 1nit n SER 444 N -0.37 7.54 -0.29 3.99 3.41 -0.56 -0.80 113.62 126.54 1nit n SER 444 Ca -0.08 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 1nit n SER 444 Cb 0.61 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1nit n SER 444 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nit n TYR 445 N -0.93 0.00 0.02 7.33 4.01 -1.26 -4.32 117.16 122.02 1nit n TYR 445 Ca 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 1nit n TYR 445 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 1nit n TYR 445 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1nit n ASN 446 N 0.00 -0.11 -4.86 7.72 0.23 -1.26 -4.72 115.26 112.26 1nit n ASN 446 Ca 0.00 0.08 -0.34 0.00 -0.53 0.00 0.00 54.58 53.79 1nit n ASN 446 Cb 0.00 0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 37.84 1nit n ASN 446 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1nit s ARG 447 N -2.00 3.88 -0.07 -3.83 0.52 -1.26 -4.75 118.95 111.43 1nit s ARG 447 Ca 0.00 0.36 0.22 0.00 -0.52 0.00 0.00 55.73 55.79 1nit s ARG 447 Cb 0.00 -2.82 0.40 0.00 0.52 0.00 0.00 34.95 33.05 1nit s ARG 447 CO 0.00 0.42 1.15 0.27 0.02 0.00 0.00 175.30 177.16 1nit n ASN 448 N 0.42 0.81 -4.76 0.23 6.94 -1.26 -5.00 115.26 112.63 1nit n ASN 448 Ca -0.03 -2.01 -0.33 0.00 -0.02 0.00 0.00 54.58 52.19 1nit n ASN 448 Cb 0.52 -0.23 0.06 0.00 -2.36 0.00 0.00 39.78 37.76 1nit n ASN 448 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1nit s PHE 449 N -0.86 2.55 -0.25 -2.53 0.08 -1.26 -4.27 117.98 111.43 1nit s PHE 449 Ca 0.28 1.56 -0.40 0.00 0.12 0.00 0.00 56.93 58.49 1nit s PHE 449 Cb 0.33 -3.19 -0.16 0.00 -0.57 0.00 0.00 43.02 39.44 1nit s PHE 449 CO -0.12 -1.80 1.71 2.41 -0.10 0.00 0.00 175.22 177.32 1nit n THR 450 N -2.57 0.28 -1.15 0.64 -1.04 -1.26 -1.94 114.28 107.23 1nit n THR 450 Ca 0.11 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1nit n THR 450 Cb 0.52 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 1nit n THR 450 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nit n GLY 451 N 4.05 0.73 0.10 3.41 0.00 -1.23 -4.90 105.19 107.35 1nit n GLY 451 Ca 0.26 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1nit n GLY 451 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nit h ARG 452 N 0.25 0.16 0.00 1.61 2.43 -1.70 -0.54 114.38 116.59 1nit h ARG 452 Ca -0.11 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1nit h ARG 452 Cb 0.57 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1nit h ARG 452 CO 0.16 0.98 -0.57 -0.91 -1.51 0.00 0.00 179.97 178.11 1nit h ASN 453 N 0.04 0.00 0.00 -3.80 4.21 -1.81 -1.85 115.58 112.37 1nit h ASN 453 Ca -0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.29 1nit h ASN 453 Cb 1.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.17 1nit h ASN 453 CO 0.14 0.12 -0.05 -0.90 -1.29 0.00 0.00 177.43 175.44 1nit n ASP 454 N -2.94 0.00 -0.21 5.81 5.68 -1.25 -3.96 116.55 119.68 1nit n ASP 454 Ca 0.01 -1.10 -0.03 0.00 -0.50 0.00 0.00 54.79 53.17 1nit n ASP 454 Cb 0.59 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1nit n ASP 454 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nit n ALA 455 N 0.00 -0.04 -2.49 2.12 0.00 -0.21 -4.94 120.51 114.95 1nit n ALA 455 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1nit n ALA 455 Cb 0.52 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1nit n ALA 455 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1nit s ASN 456 N -1.93 6.12 0.64 0.00 2.47 -1.26 -4.83 114.94 116.15 1nit s ASN 456 Ca 0.00 -0.66 0.34 0.00 0.42 0.00 0.00 52.86 52.96 1nit s ASN 456 Cb 0.00 -2.17 1.91 0.00 -1.45 0.00 0.00 41.25 39.54 1nit s ASN 456 CO 0.00 -0.41 2.14 1.55 -3.72 0.00 0.00 177.10 176.67 1nit h PRO 457 N 8.59 0.00 -0.65 0.43 0.13 -1.90 -2.68 132.00 135.93 1nit h PRO 457 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nit h PRO 457 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1nit h PRO 457 CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 1nit n GLU 458 N -3.30 2.51 -2.84 0.86 -0.58 -1.26 -4.62 120.64 111.42 1nit n GLU 458 Ca -0.01 -2.33 -0.41 0.00 -0.42 0.00 0.00 57.16 53.99 1nit n GLU 458 Cb 0.25 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1nit n GLU 458 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1nit s THR 459 N -1.15 4.91 -0.47 2.62 2.01 -1.01 -2.31 115.64 120.25 1nit s THR 459 Ca 0.43 1.81 -0.17 0.00 0.31 0.00 0.00 61.69 64.07 1nit s THR 459 Cb 0.23 -4.21 0.05 0.00 0.01 0.00 0.00 72.50 68.58 1nit s THR 459 CO 0.29 0.15 0.49 -1.00 -0.69 0.00 0.00 174.62 173.86 1nit s HIS 460 N 1.24 3.15 -0.20 4.92 3.76 0.71 -4.78 115.29 124.10 1nit s HIS 460 Ca 0.45 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.63 1nit s HIS 460 Cb -0.19 -3.23 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 1nit s HIS 460 CO 0.21 -0.86 0.08 0.00 -0.85 0.00 0.00 174.74 173.32 1nit s ALA 461 N 2.12 3.41 -0.12 -1.40 0.00 -1.25 -1.75 121.76 122.79 1nit s ALA 461 Ca 0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1nit s ALA 461 Cb -0.21 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1nit s ALA 461 CO 0.10 0.06 -0.06 -0.06 0.00 0.00 0.00 175.76 175.80 1nit s PHE 462 N 0.58 2.96 -0.09 0.00 0.40 -0.78 -4.48 117.98 116.57 1nit s PHE 462 Ca 0.04 -0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1nit s PHE 462 Cb -0.13 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1nit s PHE 462 CO 0.01 0.07 0.06 0.14 0.70 0.00 0.00 175.22 176.20 1nit s VAL 463 N -0.07 4.79 0.00 -0.44 -7.23 0.36 -0.87 120.40 116.93 1nit s VAL 463 Ca 0.01 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1nit s VAL 463 Cb -0.13 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1nit s VAL 463 CO 0.03 0.59 0.00 1.07 -0.31 0.00 0.00 175.10 176.48 1nit n THR 464 N 2.00 0.00 -1.96 5.32 5.66 0.02 -0.76 114.28 124.56 1nit n THR 464 Ca -0.19 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.49 1nit n THR 464 Cb 0.54 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.33 1nit n THR 464 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nit s SER 465 N -0.88 5.88 0.29 1.09 1.04 -1.26 -4.05 113.70 115.80 1nit s SER 465 Ca 0.00 1.67 -0.02 0.00 0.48 0.00 0.00 55.95 58.07 1nit s SER 465 Cb 0.00 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 64.02 1nit s SER 465 CO 0.00 -1.10 1.92 1.55 0.98 0.00 0.00 173.24 176.58 1nit h PRO 466 N 0.11 1.02 -0.33 4.02 0.13 -1.90 -1.79 132.00 133.26 1nit h PRO 466 Ca -0.46 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.48 1nit h PRO 466 Cb 1.21 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1nit h PRO 466 CO 0.58 0.74 -0.14 1.05 -0.23 0.00 0.00 178.00 180.01 1nit h GLU 467 N 1.03 0.59 -0.14 0.86 9.09 -1.88 -0.78 114.58 123.35 1nit h GLU 467 Ca 0.26 -0.19 -0.19 0.00 0.05 0.00 0.00 59.36 59.29 1nit h GLU 467 Cb 0.02 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.07 1nit h GLU 467 CO -0.04 0.71 -0.66 0.82 0.05 0.00 0.00 179.01 179.89 1nit h ILE 468 N 0.54 1.31 -0.64 -1.06 1.08 -1.86 -1.86 117.51 115.01 1nit h ILE 468 Ca 0.09 -1.90 0.07 0.00 -0.39 0.00 0.00 64.86 62.74 1nit h ILE 468 Cb 0.56 2.04 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 1nit h ILE 468 CO 0.04 0.59 0.33 0.58 -0.69 0.00 0.00 178.15 178.99 1nit h VAL 469 N 0.39 0.90 -0.44 1.67 2.07 -0.92 -0.06 116.25 119.86 1nit h VAL 469 Ca -0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1nit h VAL 469 Cb 1.29 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1nit h VAL 469 CO 0.14 0.11 0.23 0.74 0.02 0.00 0.00 177.57 178.80 1nit h THR 470 N 0.59 1.17 -0.41 2.57 2.02 -1.07 0.37 112.91 118.15 1nit h THR 470 Ca 0.30 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1nit h THR 470 Cb 0.26 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1nit h THR 470 CO -0.22 0.18 0.15 0.00 0.37 0.00 0.00 175.52 176.00 1nit h ALA 471 N 1.08 0.54 0.00 6.16 0.00 -0.65 -1.92 119.26 124.47 1nit h ALA 471 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nit h ALA 471 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nit h ALA 471 CO -0.02 0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 179.24 1nit h LEU 472 N 0.53 0.00 -0.04 0.00 3.38 -0.88 -2.39 115.31 115.91 1nit h LEU 472 Ca 0.14 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 1nit h LEU 472 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1nit h LEU 472 CO -0.01 0.08 -1.08 0.00 0.09 0.00 0.00 178.44 177.53 1nit h ALA 473 N 1.92 0.25 -0.28 1.53 0.00 -0.18 0.28 119.26 122.78 1nit h ALA 473 Ca -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 1nit h ALA 473 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1nit h ALA 473 CO 0.01 0.90 0.10 0.82 0.00 0.00 0.00 179.25 181.08 1nit h ILE 474 N 0.14 1.18 -0.03 0.00 2.04 -1.29 -0.28 117.51 119.28 1nit h ILE 474 Ca -0.10 -0.57 -0.19 0.00 1.00 0.00 0.00 64.86 65.00 1nit h ILE 474 Cb 1.76 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1nit h ILE 474 CO 0.18 0.19 -0.81 0.00 0.00 0.00 0.00 178.15 177.71 1nit h ALA 475 N 0.94 0.55 0.00 1.87 0.00 -1.32 -3.22 119.26 118.09 1nit h ALA 475 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1nit h ALA 475 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nit h ALA 475 CO -0.01 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1nit n GLY 476 N 0.71 0.87 3.07 0.00 0.00 0.97 -4.88 105.19 105.92 1nit n GLY 476 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1nit n GLY 476 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nit s THR 477 N -3.45 0.06 0.41 2.61 -1.32 -1.24 -1.01 115.64 111.70 1nit s THR 477 Ca 0.00 -0.47 0.13 0.00 -1.21 0.00 0.00 61.69 60.13 1nit s THR 477 Cb 0.00 -0.34 0.15 0.00 -1.51 0.00 0.00 72.50 70.80 1nit s THR 477 CO 0.00 -0.26 1.93 -0.07 -2.21 0.00 0.00 174.62 174.01 1nit h LEU 478 N 4.88 0.05 -5.36 9.08 3.38 -1.32 -3.27 115.31 122.75 1nit h LEU 478 Ca -0.29 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.05 1nit h LEU 478 Cb 1.20 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1nit h LEU 478 CO 0.41 0.28 3.39 0.29 0.09 0.00 0.00 178.44 182.90 1nit n LYS 479 N -4.25 3.10 -3.68 1.13 5.02 -1.26 -3.89 118.16 114.33 1nit n LYS 479 Ca -0.02 -2.11 -0.09 0.00 -2.02 0.00 0.00 58.31 54.07 1nit n LYS 479 Cb 0.29 -2.83 -0.10 0.00 -0.02 0.00 0.00 35.03 32.38 1nit n LYS 479 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1nit s PHE 480 N 2.78 -0.76 -0.24 2.13 5.36 -1.24 -5.07 117.98 120.94 1nit s PHE 480 Ca 0.59 1.57 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 1nit s PHE 480 Cb 0.15 0.39 0.05 0.00 -0.34 0.00 0.00 43.02 43.27 1nit s PHE 480 CO -0.05 -0.41 -0.13 1.21 -1.46 0.00 0.00 175.22 174.38 1nit s ASN 481 N 1.55 4.06 0.59 6.13 3.84 -1.26 -4.89 114.94 124.95 1nit s ASN 481 Ca -0.09 -1.19 0.29 0.00 0.21 0.00 0.00 52.86 52.08 1nit s ASN 481 Cb -0.08 -1.50 1.75 0.00 -0.55 0.00 0.00 41.25 40.88 1nit s ASN 481 CO -0.15 -0.15 2.20 -0.65 -2.79 0.00 0.00 177.10 175.56 1nit h PRO 482 N 7.83 0.00 0.04 0.43 0.11 -1.96 -0.79 132.00 137.66 1nit h PRO 482 Ca -0.26 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.61 1nit h PRO 482 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nit h PRO 482 CO 0.50 0.00 -1.03 0.93 -0.21 0.00 0.00 178.00 178.19 1nit h GLU 483 N 0.00 0.37 0.00 1.05 5.08 -1.94 -3.41 114.58 115.72 1nit h GLU 483 Ca 0.03 -0.45 -0.33 0.00 -1.00 0.00 0.00 59.36 57.61 1nit h GLU 483 Cb 0.18 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1nit h GLU 483 CO -0.00 1.14 -2.22 0.25 -1.00 0.00 0.00 179.01 177.18 1nit n THR 484 N -3.69 1.23 -2.01 1.13 -2.24 -0.61 -5.00 114.28 103.10 1nit n THR 484 Ca -0.07 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1nit n THR 484 Cb 0.89 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1nit n THR 484 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nit s ASP 485 N -6.19 6.28 -0.11 3.42 1.01 -0.40 -5.04 116.67 115.64 1nit s ASP 485 Ca -0.29 1.38 -0.04 0.00 0.71 0.00 0.00 52.55 54.31 1nit s ASP 485 Cb 0.08 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1nit s ASP 485 CO 0.48 -0.81 0.07 -0.36 0.21 0.00 0.00 175.17 174.76 1nit s PHE 486 N -3.07 3.36 0.27 4.23 0.40 -1.26 -4.51 117.98 117.39 1nit s PHE 486 Ca 0.55 0.33 0.07 0.00 -0.60 0.00 0.00 56.93 57.28 1nit s PHE 486 Cb -0.11 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1nit s PHE 486 CO 0.51 0.56 0.18 -0.51 0.70 0.00 0.00 175.22 176.66 1nit s LEU 487 N -0.85 3.69 -0.19 -0.37 1.02 0.78 -4.87 118.68 117.89 1nit s LEU 487 Ca 0.13 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 1nit s LEU 487 Cb -0.12 -2.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.85 1nit s LEU 487 CO 0.03 -0.08 -0.09 -0.89 0.02 0.00 0.00 176.35 175.34 1nit s THR 488 N -2.19 3.10 1.27 5.49 2.01 -1.26 -0.62 115.64 123.44 1nit s THR 488 Ca 0.34 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1nit s THR 488 Cb -0.07 -2.37 0.32 0.00 0.01 0.00 0.00 72.50 70.38 1nit s THR 488 CO 0.24 0.47 1.07 0.61 -0.69 0.00 0.00 174.62 176.32 1nit n GLY 489 N 4.44 -2.92 0.12 4.40 0.00 0.42 -4.92 105.19 106.73 1nit n GLY 489 Ca -0.19 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1nit n GLY 489 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nit h LYS 490 N 0.00 0.24 0.00 1.61 3.64 -1.07 -2.83 116.57 118.16 1nit h LYS 490 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1nit h LYS 490 Cb 1.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1nit h LYS 490 CO 0.27 0.16 0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 1nit n ASP 491 N -4.99 0.00 0.00 4.20 5.75 -1.26 -4.88 116.55 115.36 1nit n ASP 491 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1nit n ASP 491 Cb 0.06 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1nit n ASP 491 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nit n GLY 492 N -0.72 3.06 3.75 6.12 0.00 -1.07 -5.04 105.19 111.28 1nit n GLY 492 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1nit n GLY 492 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nit s LYS 493 N -0.31 4.62 0.32 1.61 1.02 -1.26 -4.68 119.74 121.05 1nit s LYS 493 Ca 0.00 1.78 -0.28 0.00 0.02 0.00 0.00 55.97 57.49 1nit s LYS 493 Cb 0.00 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 1nit s LYS 493 CO 0.00 0.15 1.10 0.15 -0.92 0.00 0.00 175.35 175.83 1nit s LYS 494 N -0.99 4.47 0.03 1.68 -0.14 -1.26 -0.44 119.74 123.10 1nit s LYS 494 Ca 0.47 1.76 -0.05 0.00 -1.36 0.00 0.00 55.97 56.79 1nit s LYS 494 Cb -0.31 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 1nit s LYS 494 CO 0.39 0.07 0.09 -0.59 -0.76 0.00 0.00 175.35 174.54 1nit s PHE 495 N -1.29 0.19 -0.06 3.18 -0.71 0.21 -4.92 117.98 114.58 1nit s PHE 495 Ca 0.49 -0.46 0.03 0.00 -1.04 0.00 0.00 56.93 55.95 1nit s PHE 495 Cb -0.30 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1nit s PHE 495 CO 0.38 -0.33 -0.15 0.21 -1.34 0.00 0.00 175.22 173.98 1nit s LYS 496 N -2.32 2.66 -0.02 1.99 2.20 -1.26 -0.16 119.74 122.83 1nit s LYS 496 Ca -0.07 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1nit s LYS 496 Cb -0.03 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 1nit s LYS 496 CO -0.03 0.52 1.46 -0.51 -0.36 0.00 0.00 175.35 176.43 1nit s LEU 497 N -0.47 4.31 0.35 5.43 2.01 -1.26 -5.02 118.68 124.03 1nit s LEU 497 Ca 0.06 2.12 -0.26 0.00 0.01 0.00 0.00 54.13 56.06 1nit s LEU 497 Cb -0.12 -3.55 -0.09 0.00 0.01 0.00 0.00 46.19 42.44 1nit s LEU 497 CO 0.02 -0.78 1.06 -0.70 1.01 0.00 0.00 176.35 176.95 1nit s GLU 498 N 2.88 4.35 0.31 1.70 -6.30 -1.26 -4.84 118.70 115.54 1nit s GLU 498 Ca 0.66 1.59 -0.30 0.00 -2.50 0.00 0.00 54.97 54.42 1nit s GLU 498 Cb -0.31 -2.78 -0.11 0.00 0.00 0.00 0.00 34.13 30.93 1nit s GLU 498 CO 0.26 0.01 1.56 0.00 0.02 0.00 0.00 175.26 177.11 1nit s ALA 499 N -1.48 3.70 0.26 6.30 0.00 -1.26 -4.89 121.76 124.39 1nit s ALA 499 Ca 0.53 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.75 1nit s ALA 499 Cb -0.25 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 1nit s ALA 499 CO 0.32 -0.98 1.18 -1.25 0.00 0.00 0.00 175.76 175.02 1nit s PRO 500 N -0.84 4.53 -0.03 0.00 0.04 -1.26 -4.98 135.00 132.45 1nit s PRO 500 Ca 0.61 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.62 1nit s PRO 500 Cb -0.47 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1nit s PRO 500 CO 0.51 0.03 -0.20 0.34 0.04 0.00 0.00 177.00 177.71 1nit s ASP 501 N -0.47 2.45 0.13 6.66 2.15 -1.26 -4.91 116.67 121.42 1nit s ASP 501 Ca 0.48 -0.39 -0.22 0.00 0.43 0.00 0.00 52.55 52.85 1nit s ASP 501 Cb -0.34 -0.46 0.06 0.00 -0.30 0.00 0.00 42.92 41.88 1nit s ASP 501 CO 0.42 0.22 0.55 0.00 -0.17 0.00 0.00 175.17 176.20 1nit s ALA 502 N -0.28 -1.44 0.47 3.66 0.00 -1.26 -4.81 121.76 118.10 1nit s ALA 502 Ca 0.03 0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1nit s ALA 502 Cb -0.10 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.71 1nit s ALA 502 CO 0.01 -0.70 1.27 -0.51 0.00 0.00 0.00 175.76 175.83 1nit s ASP 503 N -2.63 5.95 0.13 0.00 1.01 -1.26 -4.94 116.67 114.94 1nit s ASP 503 Ca 0.00 2.57 0.12 0.00 0.71 0.00 0.00 52.55 55.95 1nit s ASP 503 Cb -0.00 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.18 1nit s ASP 503 CO -0.11 -1.09 1.15 1.05 0.21 0.00 0.00 175.17 176.39 1nit h GLU 504 N 2.10 0.00 -4.62 8.23 4.11 -1.94 -3.38 114.58 119.08 1nit h GLU 504 Ca -0.50 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.70 1nit h GLU 504 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 1nit h GLU 504 CO 0.60 0.65 -0.70 -0.51 0.07 0.00 0.00 179.01 179.12 1nit s LEU 505 N -6.38 2.46 0.44 3.06 1.43 -1.26 -3.52 118.68 114.91 1nit s LEU 505 Ca 0.00 -0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 51.94 1nit s LEU 505 Cb 0.09 -0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.15 1nit s LEU 505 CO 0.80 -0.42 1.24 -2.16 0.23 0.00 0.00 176.35 176.03 1nit s PRO 506 N -3.42 3.83 0.05 1.29 0.04 -1.26 -4.92 135.00 130.61 1nit s PRO 506 Ca 0.08 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 1nit s PRO 506 Cb 0.03 -2.58 -0.13 0.00 0.04 0.00 0.00 34.50 31.85 1nit s PRO 506 CO -0.04 -0.55 1.47 0.00 0.04 0.00 0.00 177.00 177.91 1nit h ARG 507 N 2.35 0.26 0.00 4.56 3.08 -1.99 -3.42 114.38 119.21 1nit h ARG 507 Ca -0.49 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.36 1nit h ARG 507 Cb 1.25 -0.02 0.05 0.00 0.08 0.00 0.00 29.97 31.33 1nit h ARG 507 CO 0.61 0.51 0.09 0.00 -1.07 0.00 0.00 179.97 180.11 1nit n ALA 508 N -2.32 -0.53 -1.73 0.04 0.00 -1.26 -5.03 120.51 109.68 1nit n ALA 508 Ca -0.05 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 1nit n ALA 508 Cb 0.22 -0.02 0.11 0.00 0.00 0.00 0.00 19.45 19.76 1nit n ALA 508 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nit s GLU 509 N -3.73 1.53 0.36 0.00 0.41 -1.26 -5.00 118.70 111.01 1nit s GLU 509 Ca 0.19 0.18 -0.27 0.00 -0.41 0.00 0.00 54.97 54.67 1nit s GLU 509 Cb -0.01 -1.89 -0.09 0.00 -1.78 0.00 0.00 34.13 30.36 1nit s GLU 509 CO 0.14 -1.91 1.18 -0.06 -0.49 0.00 0.00 175.26 174.12 1nit s PHE 510 N -3.44 3.17 -0.29 1.61 0.08 -1.26 -4.90 117.98 112.94 1nit s PHE 510 Ca 0.63 1.56 -0.21 0.00 0.12 0.00 0.00 56.93 59.03 1nit s PHE 510 Cb -0.13 -3.42 -0.01 0.00 -0.57 0.00 0.00 43.02 38.89 1nit s PHE 510 CO 0.51 -1.26 0.67 0.34 -0.10 0.00 0.00 175.22 175.38 1nit s ASP 511 N -0.96 6.56 0.30 1.36 -1.08 -1.26 -4.96 116.67 116.62 1nit s ASP 511 Ca 0.53 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 53.34 1nit s ASP 511 Cb -0.33 -2.35 1.09 0.00 -1.46 0.00 0.00 42.92 39.88 1nit s ASP 511 CO 0.42 -0.49 1.70 -0.81 0.52 0.00 0.00 175.17 176.51 1nit n PRO 512 N 5.92 0.18 0.00 4.34 -0.04 -1.26 -4.13 135.00 140.00 1nit n PRO 512 Ca 0.00 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1nit n PRO 512 Cb 0.49 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1nit n PRO 512 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nit n GLY 513 N -0.60 -0.47 3.84 0.55 0.00 -1.26 -3.61 105.19 103.64 1nit n GLY 513 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1nit n GLY 513 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nit s GLN 514 N 0.00 3.94 -0.32 1.61 1.03 -1.26 -4.99 119.66 119.67 1nit s GLN 514 Ca 0.00 0.93 -0.37 0.00 0.04 0.00 0.00 55.36 55.95 1nit s GLN 514 Cb 0.00 -2.15 -0.13 0.00 0.03 0.00 0.00 33.01 30.76 1nit s GLN 514 CO 0.00 -0.25 2.04 -0.40 -2.54 0.00 0.00 175.29 174.13 1nit n ASP 515 N -1.55 2.21 0.00 12.60 5.75 -1.26 -4.86 116.55 129.44 1nit n ASP 515 Ca 0.06 0.67 0.00 0.00 -0.01 0.00 0.00 54.79 55.51 1nit n ASP 515 Cb 0.54 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1nit n ASP 515 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nit n THR 516 N 6.25 0.00 -3.34 2.12 -2.24 -1.26 -5.02 114.28 110.78 1nit n THR 516 Ca 0.37 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.63 1nit n THR 516 Cb 0.18 1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1nit n THR 516 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nit s TYR 517 N -0.14 3.74 -0.29 4.78 5.04 -1.26 -1.08 117.35 128.14 1nit s TYR 517 Ca 0.00 1.17 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1nit s TYR 517 Cb 0.00 -2.43 0.08 0.00 0.35 0.00 0.00 41.96 39.96 1nit s TYR 517 CO 0.00 0.55 -0.01 -1.14 -1.34 0.00 0.00 175.55 173.61 1nit s GLN 518 N -1.35 1.62 0.36 4.97 0.74 0.57 -4.97 119.66 121.59 1nit s GLN 518 Ca 0.31 -1.40 -0.27 0.00 0.05 0.00 0.00 55.36 54.04 1nit s GLN 518 Cb -0.18 -2.81 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 1nit s GLN 518 CO 0.18 -0.76 1.18 -1.58 -0.55 0.00 0.00 175.29 173.77 1nit s HIS 519 N 1.17 3.17 0.39 1.67 5.65 -1.26 -2.04 115.29 124.04 1nit s HIS 519 Ca 0.01 1.55 -0.27 0.00 0.25 0.00 0.00 55.06 56.61 1nit s HIS 519 Cb -0.19 -3.43 -0.09 0.00 -1.18 0.00 0.00 32.58 27.68 1nit s HIS 519 CO -0.09 -1.28 1.36 -1.25 -0.65 0.00 0.00 174.74 172.83 1nit s PRO 520 N -2.02 4.02 -0.35 2.88 0.04 -1.26 -4.94 135.00 133.37 1nit s PRO 520 Ca 0.53 2.29 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 1nit s PRO 520 Cb -0.33 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1nit s PRO 520 CO 0.42 -0.49 1.85 -1.25 0.04 0.00 0.00 177.00 177.56 1nit s PRO 521 N -2.16 3.23 0.00 0.56 0.04 -1.26 -4.81 135.00 130.60 1nit s PRO 521 Ca 0.55 1.39 0.18 0.00 0.04 0.00 0.00 61.00 63.17 1nit s PRO 521 Cb -0.41 -4.23 0.51 0.00 0.04 0.00 0.00 34.50 30.41 1nit s PRO 521 CO 0.53 -1.98 1.42 1.63 0.04 0.00 0.00 177.00 178.64 1nit n LYS 522 N 8.53 2.23 0.00 4.56 4.76 -1.26 -3.66 118.16 133.32 1nit n LYS 522 Ca 0.23 -1.90 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 1nit n LYS 522 Cb 0.47 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1nit n LYS 522 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nit n ASP 523 N 1.05 0.00 0.00 4.39 5.75 -1.26 -4.88 116.55 121.60 1nit n ASP 523 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1nit n ASP 523 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1nit n ASP 523 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1nit n SER 524 N 0.00 0.00 -0.22 -1.12 7.64 -1.26 -4.80 113.62 113.86 1nit n SER 524 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1nit n SER 524 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nit n SER 524 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nit n SER 525 N -0.05 -0.83 -0.60 6.43 7.64 -1.24 -4.78 113.62 120.20 1nit n SER 525 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1nit n SER 525 Cb 0.00 -0.96 0.01 0.00 -1.01 0.00 0.00 64.21 62.25 1nit n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nit n GLY 526 N 0.10 1.60 3.76 0.23 0.00 -1.26 -4.65 105.19 104.97 1nit n GLY 526 Ca -0.01 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1nit n GLY 526 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nit s GLN 527 N -0.93 3.59 -0.23 1.61 1.11 -1.26 -5.02 119.66 118.53 1nit s GLN 527 Ca 0.01 2.10 -0.08 0.00 0.01 0.00 0.00 55.36 57.41 1nit s GLN 527 Cb 0.01 -2.47 -0.04 0.00 -1.01 0.00 0.00 33.01 29.51 1nit s GLN 527 CO 0.00 -0.79 0.08 1.03 0.01 0.00 0.00 175.29 175.62 1nit s ARG 528 N -2.63 3.80 -0.16 2.91 0.52 -1.26 -4.91 118.95 117.22 1nit s ARG 528 Ca 0.64 -0.42 -0.26 0.00 -0.52 0.00 0.00 55.73 55.18 1nit s ARG 528 Cb -0.37 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 1nit s ARG 528 CO 0.45 -0.01 0.85 0.08 0.02 0.00 0.00 175.30 176.70 1nit s VAL 529 N 1.15 4.87 -0.22 3.52 1.01 -1.26 -4.97 120.40 124.48 1nit s VAL 529 Ca 0.05 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 1nit s VAL 529 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1nit s VAL 529 CO 0.03 0.02 -0.04 -0.62 0.00 0.00 0.00 175.10 174.50 1nit s ASP 530 N 1.14 4.35 -0.28 3.32 2.15 -1.26 -5.06 116.67 121.03 1nit s ASP 530 Ca 0.40 -0.40 -0.02 0.00 0.43 0.00 0.00 52.55 52.96 1nit s ASP 530 Cb -0.17 -1.75 0.04 0.00 -0.30 0.00 0.00 42.92 40.75 1nit s ASP 530 CO 0.13 -0.03 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.39 1nit s VAL 531 N 1.48 2.96 0.30 1.11 1.01 -1.26 -4.91 120.40 121.09 1nit s VAL 531 Ca 0.06 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1nit s VAL 531 Cb -0.14 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.49 1nit s VAL 531 CO -0.03 -0.01 1.46 -0.55 0.00 0.00 0.00 175.10 175.97 1nit s SER 532 N 1.28 6.55 0.11 3.32 0.15 -1.26 -4.88 113.70 118.96 1nit s SER 532 Ca -0.04 2.81 0.17 0.00 0.70 0.00 0.00 55.95 59.59 1nit s SER 532 Cb -0.19 -2.64 0.74 0.00 -1.71 0.00 0.00 66.02 62.22 1nit s SER 532 CO -0.02 -0.75 1.54 -0.81 1.20 0.00 0.00 173.24 174.39 1nit n PRO 533 N 1.68 0.08 -0.17 5.44 -0.04 -1.26 -1.58 135.00 139.14 1nit n PRO 533 Ca 0.05 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1nit n PRO 533 Cb 0.40 -1.65 0.18 0.00 -0.04 0.00 0.00 33.50 32.38 1nit n PRO 533 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nit n THR 534 N -1.80 0.60 -1.76 0.52 -2.24 -1.26 -5.00 114.28 103.33 1nit n THR 534 Ca 0.03 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1nit n THR 534 Cb 0.18 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1nit n THR 534 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nit n SER 535 N 1.07 3.58 -0.10 3.42 2.88 -0.62 -4.90 113.62 118.95 1nit n SER 535 Ca 0.15 1.20 0.11 0.00 -1.33 0.00 0.00 58.87 59.00 1nit n SER 535 Cb 0.50 -1.60 0.11 0.00 -0.75 0.00 0.00 64.21 62.46 1nit n SER 535 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nit n GLN 536 N 0.29 0.28 -0.00 -1.46 1.13 -1.26 -4.46 117.38 111.90 1nit n GLN 536 Ca 0.03 -0.20 0.04 0.00 -1.94 0.00 0.00 57.00 54.92 1nit n GLN 536 Cb 0.39 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.19 1nit n GLN 536 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1nit n ARG 537 N -1.18 1.11 -4.16 -1.09 1.74 -1.26 -4.84 116.66 106.98 1nit n ARG 537 Ca 0.06 -0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 56.93 1nit n ARG 537 Cb 0.35 -1.10 -0.15 0.00 -1.02 0.00 0.00 32.46 30.54 1nit n ARG 537 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nit s LEU 538 N -3.27 1.88 -0.11 0.55 1.43 -1.26 -2.85 118.68 115.05 1nit s LEU 538 Ca -0.02 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1nit s LEU 538 Cb 0.05 -0.30 0.05 0.00 0.03 0.00 0.00 46.19 46.02 1nit s LEU 538 CO 0.30 0.04 0.25 -1.58 0.23 0.00 0.00 176.35 175.59 1nit s GLN 539 N 0.07 0.18 0.48 1.70 0.74 -0.43 -4.53 119.66 117.86 1nit s GLN 539 Ca -0.00 0.60 -0.23 0.00 0.05 0.00 0.00 55.36 55.77 1nit s GLN 539 Cb -0.04 -0.10 -0.07 0.00 1.10 0.00 0.00 33.01 33.90 1nit s GLN 539 CO -0.00 -0.21 1.29 -0.51 -0.55 0.00 0.00 175.29 175.31 1nit s LEU 540 N 1.67 4.00 0.22 3.68 1.43 -1.26 -4.76 118.68 123.66 1nit s LEU 540 Ca -0.06 2.60 -0.27 0.00 -1.03 0.00 0.00 54.13 55.38 1nit s LEU 540 Cb -0.11 -4.15 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 1nit s LEU 540 CO -0.08 -1.17 0.87 -0.76 0.23 0.00 0.00 176.35 175.43 1nit s LEU 541 N -3.06 4.57 -0.19 1.79 1.43 -1.26 -5.03 118.68 116.93 1nit s LEU 541 Ca 0.65 1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 55.44 1nit s LEU 541 Cb -0.36 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 1nit s LEU 541 CO 0.44 0.14 0.13 -0.70 0.23 0.00 0.00 176.35 176.60 1nit s GLU 542 N -1.34 4.12 0.47 1.70 2.12 -1.26 -5.02 118.70 119.49 1nit s GLU 542 Ca 0.40 -0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.29 1nit s GLU 542 Cb -0.23 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 1nit s GLU 542 CO 0.28 0.34 1.33 -0.35 -0.54 0.00 0.00 175.26 176.32 1nit n PRO 543 N 3.38 1.93 -1.94 4.30 -0.04 -1.26 -5.00 135.00 136.37 1nit n PRO 543 Ca -0.16 0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 63.67 1nit n PRO 543 Cb 0.52 -2.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.50 1nit n PRO 543 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nit s PHE 544 N -1.23 3.10 0.36 0.54 0.08 -1.26 -5.02 117.98 114.54 1nit s PHE 544 Ca 0.64 1.47 -0.28 0.00 0.12 0.00 0.00 56.93 58.88 1nit s PHE 544 Cb -0.46 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 38.94 1nit s PHE 544 CO 0.55 -1.05 1.50 -0.40 -0.10 0.00 0.00 175.22 175.72 1nit n ASP 545 N -2.33 3.74 -4.77 1.36 5.75 -1.26 -4.84 116.55 114.20 1nit n ASP 545 Ca 0.08 1.21 -0.32 0.00 -0.01 0.00 0.00 54.79 55.75 1nit n ASP 545 Cb 0.53 -1.61 0.07 0.00 -1.03 0.00 0.00 41.12 39.09 1nit n ASP 545 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1nit s LYS 546 N -1.73 2.46 0.31 0.11 -0.14 -1.26 -4.16 119.74 115.33 1nit s LYS 546 Ca 0.56 1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 56.14 1nit s LYS 546 Cb -0.49 -1.92 -0.10 0.00 -1.68 0.00 0.00 37.83 33.64 1nit s LYS 546 CO 0.60 -1.50 1.43 -0.46 -0.76 0.00 0.00 175.35 174.66 1nit s TRP 547 N -2.68 2.90 -1.26 3.18 -0.00 -0.59 -4.81 118.94 115.68 1nit s TRP 547 Ca 0.63 1.14 0.19 0.00 -0.00 0.00 0.00 56.10 58.07 1nit s TRP 547 Cb -0.19 -3.85 0.92 0.00 -0.00 0.00 0.00 33.47 30.35 1nit s TRP 547 CO 0.50 -2.61 1.61 -0.40 -0.00 0.00 0.00 176.95 176.05 1nit n ASP 548 N 1.44 0.00 0.00 5.86 5.68 -1.26 -4.86 116.55 123.40 1nit n ASP 548 Ca 0.04 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1nit n ASP 548 Cb 0.40 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1nit n ASP 548 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nit n GLY 549 N 0.40 0.74 3.64 6.12 0.00 -1.26 -5.04 105.19 109.79 1nit n GLY 549 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1nit n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nit s LYS 550 N -0.41 2.28 0.98 1.61 1.02 -1.26 -4.84 119.74 119.12 1nit s LYS 550 Ca 0.00 -1.39 -0.12 0.00 0.02 0.00 0.00 55.97 54.48 1nit s LYS 550 Cb 0.00 -2.17 0.18 0.00 -0.52 0.00 0.00 37.83 35.32 1nit s LYS 550 CO 0.00 0.37 1.08 -0.51 -0.92 0.00 0.00 175.35 175.38 1nit s ASP 551 N -3.57 2.62 -0.48 2.83 1.01 -1.26 -4.91 116.67 112.90 1nit s ASP 551 Ca 0.31 1.56 -0.15 0.00 0.71 0.00 0.00 52.55 54.98 1nit s ASP 551 Cb -0.07 -2.23 0.09 0.00 1.01 0.00 0.00 42.92 41.72 1nit s ASP 551 CO 0.19 -3.19 0.41 -0.76 0.21 0.00 0.00 175.17 172.03 1nit s LEU 552 N -6.57 5.73 0.05 1.23 1.43 -0.92 -5.01 118.68 114.63 1nit s LEU 552 Ca 0.65 -1.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1nit s LEU 552 Cb -0.21 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1nit s LEU 552 CO 0.59 -0.69 0.06 -1.83 0.23 0.00 0.00 176.35 174.71 1nit s GLU 553 N 1.60 2.86 -1.31 1.70 1.03 -1.26 -0.73 118.70 122.59 1nit s GLU 553 Ca 0.04 -0.66 -0.06 0.00 0.03 0.00 0.00 54.97 54.31 1nit s GLU 553 Cb -0.26 -2.72 -0.00 0.00 -0.80 0.00 0.00 34.13 30.35 1nit s GLU 553 CO 0.05 0.59 0.57 -0.25 -1.33 0.00 0.00 175.26 174.88 1nit n ASP 554 N 0.74 -1.89 -4.75 0.83 8.00 -0.64 -4.92 116.55 113.93 1nit n ASP 554 Ca -0.11 -0.99 -0.40 0.00 0.71 0.00 0.00 54.79 54.00 1nit n ASP 554 Cb 0.52 -3.27 -0.04 0.00 -0.02 0.00 0.00 41.12 38.30 1nit n ASP 554 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nit s LEU 555 N -6.79 4.54 0.18 0.64 1.43 0.34 -4.76 118.68 114.26 1nit s LEU 555 Ca 0.14 2.20 -0.19 0.00 -1.03 0.00 0.00 54.13 55.26 1nit s LEU 555 Cb -0.05 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 1nit s LEU 555 CO 0.87 -0.15 0.66 -1.58 0.23 0.00 0.00 176.35 176.38 1nit s GLN 556 N -1.09 4.19 -0.35 1.70 2.00 -0.10 -1.90 119.66 124.10 1nit s GLN 556 Ca 0.46 0.77 -0.26 0.00 -2.00 0.00 0.00 55.36 54.33 1nit s GLN 556 Cb -0.31 -2.97 0.01 0.00 0.80 0.00 0.00 33.01 30.54 1nit s GLN 556 CO 0.39 0.47 0.91 0.42 -0.50 0.00 0.00 175.29 176.97 1nit s ILE 557 N -1.42 4.62 0.09 -2.34 1.01 -1.26 -0.92 121.20 120.98 1nit s ILE 557 Ca 0.39 1.21 -0.18 0.00 0.00 0.00 0.00 60.65 62.07 1nit s ILE 557 Cb -0.17 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 1nit s ILE 557 CO 0.21 -0.48 1.51 0.25 0.00 0.00 0.00 174.94 176.42 1nit h LEU 558 N 9.95 0.48 -7.00 2.97 5.85 -1.29 -3.47 115.31 122.81 1nit h LEU 558 Ca -0.23 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.17 1nit h LEU 558 Cb 1.08 -0.13 -0.23 0.00 0.37 0.00 0.00 40.66 41.75 1nit h LEU 558 CO 0.97 0.70 0.21 -0.51 -0.34 0.00 0.00 178.44 179.47 1nit s ILE 559 N -4.90 0.00 -0.34 4.05 2.07 -1.25 -4.83 121.20 116.00 1nit s ILE 559 Ca -0.13 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.00 1nit s ILE 559 Cb 0.08 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.67 1nit s ILE 559 CO 0.76 0.00 0.19 -0.75 -1.91 0.00 0.00 174.94 173.23 1nit s LYS 560 N 0.73 3.14 0.18 3.50 2.20 -1.26 -1.69 119.74 126.53 1nit s LYS 560 Ca -0.02 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.54 1nit s LYS 560 Cb -0.05 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 1nit s LYS 560 CO -0.07 -0.54 0.65 0.08 -0.36 0.00 0.00 175.35 175.11 1nit s VAL 561 N 1.60 4.68 -0.15 4.02 1.01 -0.04 -1.60 120.40 129.92 1nit s VAL 561 Ca 0.04 1.14 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 1nit s VAL 561 Cb -0.18 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1nit s VAL 561 CO 0.07 0.26 -0.02 -0.75 0.00 0.00 0.00 175.10 174.66 1nit s LYS 562 N -1.86 3.62 4.23 2.72 2.20 -0.63 -4.14 119.74 125.87 1nit s LYS 562 Ca 0.40 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1nit s LYS 562 Cb -0.17 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1nit s LYS 562 CO 0.20 0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 1nit n GLY 563 N 3.35 0.99 3.70 5.54 0.00 -1.26 -4.59 105.19 112.93 1nit n GLY 563 Ca -0.17 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1nit n GLY 563 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nit s LYS 564 N 0.00 4.29 -0.34 1.61 2.20 -1.26 -4.48 119.74 121.76 1nit s LYS 564 Ca 0.00 2.05 -0.01 0.00 -0.36 0.00 0.00 55.97 57.65 1nit s LYS 564 Cb 0.00 -3.42 0.13 0.00 -1.51 0.00 0.00 37.83 33.02 1nit s LYS 564 CO 0.00 -0.52 0.19 0.00 -0.36 0.00 0.00 175.35 174.66 1nit s THR 566 N 1.24 2.09 -0.52 0.00 2.01 -1.26 -0.43 115.64 118.77 1nit s THR 566 Ca 0.16 0.03 0.25 0.00 0.31 0.00 0.00 61.69 62.44 1nit s THR 566 Cb -0.21 -2.79 0.27 0.00 0.01 0.00 0.00 72.50 69.78 1nit s THR 566 CO -0.08 -0.04 1.74 0.71 -0.69 0.00 0.00 174.62 176.26 1nit h THR 567 N -1.45 0.00 0.00 -0.82 1.35 -1.30 -0.90 112.91 109.79 1nit h THR 567 Ca -0.50 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 64.95 1nit h THR 567 Cb 1.33 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1nit h THR 567 CO 0.62 0.00 -0.37 0.44 -0.25 0.00 0.00 175.52 175.96 1nit h ASP 568 N 0.00 0.00 0.69 5.36 3.32 -1.82 0.78 116.42 124.74 1nit h ASP 568 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1nit h ASP 568 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1nit h ASP 568 CO 0.00 0.37 -0.79 0.45 -1.72 0.00 0.00 179.24 177.55 1nit h HIS 569 N 0.00 0.11 0.20 4.55 3.86 -1.53 -3.06 115.15 119.28 1nit h HIS 569 Ca -0.00 -0.06 -0.35 0.00 -1.16 0.00 0.00 60.37 58.80 1nit h HIS 569 Cb 1.22 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.70 1nit h HIS 569 CO 0.00 0.84 -1.68 0.82 0.86 0.00 0.00 177.93 178.77 1nit h ILE 570 N 0.05 1.01 -1.75 2.45 2.04 -1.28 -2.69 117.51 117.34 1nit h ILE 570 Ca -0.02 -2.54 -0.36 0.00 1.00 0.00 0.00 64.86 62.94 1nit h ILE 570 Cb 1.39 2.82 -0.28 0.00 -0.74 0.00 0.00 36.82 40.02 1nit h ILE 570 CO 0.11 0.84 -0.72 -0.55 0.00 0.00 0.00 178.15 177.84 1nit s SER 571 N -7.35 0.29 0.62 1.72 0.15 0.25 -1.07 113.70 108.32 1nit s SER 571 Ca -0.15 -2.13 -0.17 0.00 0.70 0.00 0.00 55.95 54.20 1nit s SER 571 Cb 0.05 0.70 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1nit s SER 571 CO 0.87 -0.16 0.52 0.00 1.20 0.00 0.00 173.24 175.67 1nit n ALA 572 N 3.33 -1.28 -2.02 5.45 0.00 -1.15 -4.36 120.51 120.48 1nit n ALA 572 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1nit n ALA 572 Cb 0.50 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1nit n ALA 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nit n ALA 573 N -1.93 0.00 -0.50 0.00 0.00 -1.26 -4.60 120.51 112.22 1nit n ALA 573 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1nit n ALA 573 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1nit n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nit n GLY 574 N 5.00 2.64 0.28 0.00 0.00 -1.14 -1.53 105.19 110.45 1nit n GLY 574 Ca 0.00 0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.51 1nit n GLY 574 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nit h PRO 575 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.13 132.00 129.70 1nit h PRO 575 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nit h PRO 575 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nit h PRO 575 CO 0.00 0.06 0.00 0.91 -0.23 0.00 0.00 178.00 178.74 1nit n TRP 576 N -3.53 0.08 0.29 1.56 7.02 -0.58 -3.42 117.44 118.86 1nit n TRP 576 Ca -0.02 0.02 0.16 0.00 -1.02 0.00 0.00 57.50 56.64 1nit n TRP 576 Cb 0.19 -0.54 0.89 0.00 -2.42 0.00 0.00 31.31 29.43 1nit n TRP 576 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1nit h LEU 577 N 0.00 0.00 -2.02 -0.99 3.38 -1.52 -0.84 115.31 113.33 1nit h LEU 577 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1nit h LEU 577 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1nit h LEU 577 CO 0.00 0.04 0.21 0.50 0.09 0.00 0.00 178.44 179.29 1nit h LYS 578 N 0.00 0.00 -0.38 1.13 3.64 -1.79 -2.15 116.57 117.01 1nit h LYS 578 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nit h LYS 578 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1nit h LYS 578 CO 0.01 0.00 0.01 1.19 -2.27 0.00 0.00 179.45 178.39 1nit n PHE 579 N -4.39 1.39 0.28 1.91 3.72 -0.32 -4.67 117.46 115.37 1nit n PHE 579 Ca 0.04 -0.86 0.09 0.00 -0.05 0.00 0.00 57.45 56.67 1nit n PHE 579 Cb 0.38 -0.40 0.44 0.00 -0.94 0.00 0.00 39.48 38.96 1nit n PHE 579 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nit n ARG 580 N -0.15 0.13 -0.25 -1.08 5.12 -0.81 -1.11 116.66 118.52 1nit n ARG 580 Ca 0.25 0.49 0.09 0.00 -1.93 0.00 0.00 57.85 56.74 1nit n ARG 580 Cb 1.02 -1.81 0.22 0.00 -1.16 0.00 0.00 32.46 30.73 1nit n ARG 580 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nit n GLY 581 N -0.65 2.40 2.76 -0.13 0.00 -1.22 -4.28 105.19 104.06 1nit n GLY 581 Ca 0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1nit n GLY 581 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nit s HIS 582 N -1.05 2.01 0.34 1.61 5.65 -0.26 -1.32 115.29 122.28 1nit s HIS 582 Ca 0.35 -2.10 0.03 0.00 0.25 0.00 0.00 55.06 53.58 1nit s HIS 582 Cb 0.18 -1.90 0.62 0.00 -1.18 0.00 0.00 32.58 30.31 1nit s HIS 582 CO 0.24 -0.85 1.97 1.25 -0.65 0.00 0.00 174.74 176.70 1nit h LEU 583 N 7.59 0.67 -0.26 8.88 5.85 -1.86 -1.86 115.31 134.33 1nit h LEU 583 Ca -0.08 -0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 1nit h LEU 583 Cb 0.99 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1nit h LEU 583 CO 0.48 0.55 -0.79 -0.78 -0.34 0.00 0.00 178.44 177.55 1nit h ASP 584 N 0.76 0.70 0.13 1.25 3.58 -1.95 -2.30 116.42 118.59 1nit h ASP 584 Ca 0.20 -0.48 -0.17 0.00 0.42 0.00 0.00 57.03 57.00 1nit h ASP 584 Cb 0.02 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1nit h ASP 584 CO -0.03 1.25 -0.63 0.78 -2.88 0.00 0.00 179.24 177.73 1nit h ASN 585 N 0.38 0.56 1.54 2.28 -0.26 -1.83 -3.01 115.58 115.24 1nit h ASN 585 Ca -0.05 -0.32 -0.04 0.00 -0.56 0.00 0.00 56.30 55.33 1nit h ASN 585 Cb 1.40 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 1nit h ASN 585 CO 0.15 1.04 -0.18 -0.29 -1.06 0.00 0.00 177.43 177.09 1nit h ILE 586 N 0.36 0.34 0.00 2.81 2.10 -1.31 -2.89 117.51 118.91 1nit h ILE 586 Ca -0.01 -1.29 0.00 0.00 1.08 0.00 0.00 64.86 64.64 1nit h ILE 586 Cb 1.18 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.92 1nit h ILE 586 CO 0.11 0.18 0.00 -1.20 -1.08 0.00 0.00 178.15 176.16 1nit n SER 587 N -3.18 0.00 0.00 2.19 7.64 -0.87 -1.03 113.62 118.37 1nit n SER 587 Ca 0.02 0.46 0.10 0.00 1.01 0.00 0.00 58.87 60.46 1nit n SER 587 Cb 0.54 -0.47 0.57 0.00 -1.01 0.00 0.00 64.21 63.83 1nit n SER 587 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nit n ASN 588 N -1.47 0.00 -1.12 6.43 3.02 -1.09 -2.47 115.26 118.55 1nit n ASN 588 Ca 0.02 -0.31 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1nit n ASN 588 Cb 0.08 -0.15 0.21 0.00 -0.61 0.00 0.00 39.78 39.31 1nit n ASN 588 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1nit n ASN 589 N -1.15 3.42 -4.61 6.41 2.04 -0.20 -4.79 115.26 116.38 1nit n ASN 589 Ca 0.13 -1.98 -0.51 0.00 -0.44 0.00 0.00 54.58 51.78 1nit n ASN 589 Cb 0.12 -0.24 -0.06 0.00 -2.53 0.00 0.00 39.78 37.07 1nit n ASN 589 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1nit n LEU 590 N 1.45 2.84 -1.82 -4.53 7.94 -1.03 -1.95 117.00 119.90 1nit n LEU 590 Ca 0.19 0.78 -0.18 0.00 -1.11 0.00 0.00 56.01 55.68 1nit n LEU 590 Cb 0.60 -1.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.19 1nit n LEU 590 CO 0.15 -0.37 -0.19 0.18 -1.11 0.00 0.00 177.39 176.05 1nit n LEU 591 N 7.69 -1.46 0.12 -1.96 4.77 -0.23 -3.95 117.00 121.98 1nit n LEU 591 Ca 0.29 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 1nit n LEU 591 Cb 0.25 -2.62 0.47 0.00 -2.33 0.00 0.00 43.42 39.19 1nit n LEU 591 CO 0.75 -0.71 0.85 2.30 -1.33 0.00 0.00 177.39 179.24 1nit n ILE 592 N -2.73 0.82 0.78 -0.08 -5.35 -0.82 -2.26 119.36 109.72 1nit n ILE 592 Ca -0.19 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1nit n ILE 592 Cb 0.62 -1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 37.35 1nit n ILE 592 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nit n GLY 593 N 0.09 -1.06 3.76 3.28 0.00 -1.02 -3.12 105.19 107.13 1nit n GLY 593 Ca 0.02 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1nit n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nit s ALA 594 N -3.11 2.66 -0.19 4.61 0.00 -0.96 -4.86 121.76 119.91 1nit s ALA 594 Ca 0.05 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 1nit s ALA 594 Cb 0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1nit s ALA 594 CO 0.85 -0.96 0.42 0.42 0.00 0.00 0.00 175.76 176.49 1nit s ILE 595 N -1.65 5.19 -0.06 0.00 -1.09 -1.26 -3.98 121.20 118.34 1nit s ILE 595 Ca 0.74 0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 59.62 1nit s ILE 595 Cb -0.28 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1nit s ILE 595 CO 0.31 0.25 1.03 0.21 -1.23 0.00 0.00 174.94 175.52 1nit s ASN 596 N 1.00 7.25 0.39 3.58 2.47 -0.33 -1.61 114.94 127.68 1nit s ASN 596 Ca 0.20 1.62 0.10 0.00 0.42 0.00 0.00 52.86 55.21 1nit s ASN 596 Cb -0.15 -2.56 0.78 0.00 -1.45 0.00 0.00 41.25 37.87 1nit s ASN 596 CO 0.08 -0.42 1.91 0.77 -3.72 0.00 0.00 177.10 175.73 1nit h SER 597 N 7.05 0.20 -0.84 -4.21 4.64 -1.62 0.42 113.55 119.19 1nit h SER 597 Ca -0.35 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.02 1nit h SER 597 Cb 1.17 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 1nit h SER 597 CO 0.83 0.38 0.55 -0.08 -0.87 0.00 0.00 176.83 177.63 1nit h GLU 598 N 0.20 0.84 0.00 4.77 4.81 -1.93 -3.30 114.58 119.96 1nit h GLU 598 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1nit h GLU 598 Cb 0.40 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1nit h GLU 598 CO 0.02 0.55 0.00 0.27 -0.73 0.00 0.00 179.01 179.13 1nit n ASN 599 N -4.51 0.17 -2.89 1.04 0.23 -1.15 -5.00 115.26 103.14 1nit n ASN 599 Ca 0.14 -1.06 -0.16 0.00 -0.53 0.00 0.00 54.58 52.97 1nit n ASN 599 Cb 0.27 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.97 1nit n ASN 599 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1nit n ARG 600 N -0.03 -2.82 -4.13 -3.83 1.74 0.15 -5.00 116.66 102.74 1nit n ARG 600 Ca 0.00 0.46 -0.25 0.00 -0.77 0.00 0.00 57.85 57.29 1nit n ARG 600 Cb 0.35 -5.09 -0.06 0.00 -1.02 0.00 0.00 32.46 26.64 1nit n ARG 600 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nit s LYS 601 N -5.50 2.77 -0.01 5.56 1.02 -1.24 -4.74 119.74 117.60 1nit s LYS 601 Ca 0.19 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 55.03 1nit s LYS 601 Cb -0.10 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 1nit s LYS 601 CO 0.23 0.45 0.45 0.00 -0.92 0.00 0.00 175.35 175.57 1nit s ALA 602 N -1.86 3.64 -1.41 5.17 0.00 -1.26 -1.19 121.76 124.86 1nit s ALA 602 Ca 0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 1nit s ALA 602 Cb -0.09 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1nit s ALA 602 CO 0.22 0.38 0.98 -1.71 0.00 0.00 0.00 175.76 175.63 1nit n ASN 603 N 2.14 -4.13 -3.39 0.00 5.15 -1.18 -4.98 115.26 108.86 1nit n ASN 603 Ca -0.12 -0.71 -0.18 0.00 -0.60 0.00 0.00 54.58 52.96 1nit n ASN 603 Cb 0.52 -4.35 -0.09 0.00 -0.53 0.00 0.00 39.78 35.33 1nit n ASN 603 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nit s SER 604 N -3.65 1.64 0.17 1.20 0.15 -1.24 -3.70 113.70 108.27 1nit s SER 604 Ca 0.43 -1.21 0.10 0.00 0.70 0.00 0.00 55.95 55.98 1nit s SER 604 Cb -0.21 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1nit s SER 604 CO 0.79 -0.33 -0.23 0.68 1.20 0.00 0.00 173.24 175.35 1nit s VAL 605 N 1.89 2.16 -0.15 4.45 -7.23 0.46 -4.81 120.40 117.16 1nit s VAL 605 Ca 0.13 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1nit s VAL 605 Cb -0.15 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1nit s VAL 605 CO -0.19 -0.14 1.10 -0.60 -0.31 0.00 0.00 175.10 174.96 1nit s ARG 606 N -2.56 4.32 -0.13 4.82 3.52 -1.26 -0.64 118.95 127.01 1nit s ARG 606 Ca 0.17 1.47 -0.29 0.00 -0.13 0.00 0.00 55.73 56.95 1nit s ARG 606 Cb -0.08 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1nit s ARG 606 CO 0.08 -0.52 1.27 1.21 -0.81 0.00 0.00 175.30 176.53 1nit s ASN 607 N 1.35 6.95 0.52 -2.12 3.84 -0.20 -4.91 114.94 120.37 1nit s ASN 607 Ca 0.49 1.75 0.30 0.00 0.21 0.00 0.00 52.86 55.61 1nit s ASN 607 Cb -0.19 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.30 1nit s ASN 607 CO 0.14 -0.73 1.99 0.00 -2.79 0.00 0.00 177.10 175.71 1nit h ALA 608 N 8.08 1.09 0.00 1.71 0.00 -1.95 0.08 119.26 128.27 1nit h ALA 608 Ca -0.29 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1nit h ALA 608 Cb 1.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1nit h ALA 608 CO 0.95 0.14 -0.98 0.28 0.00 0.00 0.00 179.25 179.64 1nit h VAL 609 N 0.00 1.03 0.00 0.00 2.07 -1.96 -3.41 116.25 113.98 1nit h VAL 609 Ca -0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1nit h VAL 609 Cb 0.50 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1nit h VAL 609 CO 0.01 0.35 -0.90 0.35 0.02 0.00 0.00 177.57 177.40 1nit n THR 610 N -4.48 0.38 -2.40 2.57 -2.24 -1.21 -4.95 114.28 101.95 1nit n THR 610 Ca -0.27 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1nit n THR 610 Cb 0.62 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1nit n THR 610 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nit n GLN 611 N -2.26 -1.69 -4.19 -0.78 1.13 0.01 -4.99 117.38 104.62 1nit n GLN 611 Ca 0.02 1.02 -0.36 0.00 -1.94 0.00 0.00 57.00 55.73 1nit n GLN 611 Cb 0.48 -5.68 -0.08 0.00 0.11 0.00 0.00 30.24 25.06 1nit n GLN 611 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1nit s GLU 612 N -5.05 3.18 0.17 -1.09 0.41 -1.26 -4.90 118.70 110.17 1nit s GLU 612 Ca 0.00 -0.31 -0.25 0.00 -0.41 0.00 0.00 54.97 54.00 1nit s GLU 612 Cb 0.00 -2.95 -0.08 0.00 -1.78 0.00 0.00 34.13 29.32 1nit s GLU 612 CO 0.00 0.71 0.77 -0.06 -0.49 0.00 0.00 175.26 176.20 1nit s PHE 613 N -0.88 3.90 0.27 1.61 0.40 -1.26 -1.03 117.98 121.00 1nit s PHE 613 Ca 0.13 1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.94 1nit s PHE 613 Cb -0.12 -2.76 0.06 0.00 0.51 0.00 0.00 43.02 40.71 1nit s PHE 613 CO 0.03 0.51 0.78 0.41 0.70 0.00 0.00 175.22 177.65 1nit n GLY 614 N 1.56 0.94 3.71 4.36 0.00 0.19 -4.88 105.19 111.07 1nit n GLY 614 Ca -0.06 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1nit n GLY 614 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nit n PRO 615 N -0.54 2.08 -0.10 1.61 -0.02 -1.24 -0.41 135.00 136.38 1nit n PRO 615 Ca -0.05 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1nit n PRO 615 Cb 0.52 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1nit n PRO 615 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nit h VAL 616 N 2.32 1.18 -0.79 -1.45 2.07 -1.84 -1.67 116.25 116.06 1nit h VAL 616 Ca -0.48 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 66.61 1nit h VAL 616 Cb 1.28 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1nit h VAL 616 CO 0.61 0.19 0.43 -0.65 0.02 0.00 0.00 177.57 178.17 1nit h PRO 617 N 0.37 0.69 -0.23 1.57 0.11 -1.87 -1.17 132.00 131.47 1nit h PRO 617 Ca 0.11 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.00 1nit h PRO 617 Cb 0.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1nit h PRO 617 CO -0.01 0.46 -0.56 -0.44 -0.21 0.00 0.00 178.00 177.24 1nit h ASP 618 N 0.71 0.79 -0.43 -2.05 3.32 -1.90 -0.38 116.42 116.48 1nit h ASP 618 Ca 0.39 -0.43 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1nit h ASP 618 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1nit h ASP 618 CO -0.27 1.18 -0.19 0.74 -1.72 0.00 0.00 179.24 178.99 1nit h THR 619 N 0.54 1.27 -0.62 0.35 2.02 -0.70 -0.85 112.91 114.92 1nit h THR 619 Ca 0.01 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 1nit h THR 619 Cb 1.14 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1nit h THR 619 CO 0.11 0.45 0.14 0.00 0.37 0.00 0.00 175.52 176.60 1nit h ALA 620 N 0.84 0.82 -0.15 6.16 0.00 -1.04 -0.34 119.26 125.55 1nit h ALA 620 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1nit h ALA 620 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nit h ALA 620 CO 0.06 0.54 -0.29 0.00 0.00 0.00 0.00 179.25 179.56 1nit h ARG 621 N 0.92 0.28 -0.31 0.00 3.08 -0.81 -1.03 114.38 116.50 1nit h ARG 621 Ca 0.19 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1nit h ARG 621 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1nit h ARG 621 CO 0.00 0.56 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.49 1nit h TYR 622 N 0.25 0.65 -0.86 3.04 5.03 -0.39 -0.40 116.97 124.29 1nit h TYR 622 Ca 0.04 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.20 1nit h TYR 622 Cb 0.65 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.73 1nit h TYR 622 CO 0.01 0.75 0.47 1.88 -1.32 0.00 0.00 178.16 179.94 1nit h TYR 623 N 0.37 1.18 -0.32 -3.82 0.05 -0.73 -1.60 116.97 112.10 1nit h TYR 623 Ca 0.08 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1nit h TYR 623 Cb 0.52 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1nit h TYR 623 CO 0.05 0.82 0.06 -0.22 -1.05 0.00 0.00 178.16 177.82 1nit h LYS 624 N 1.20 0.52 -0.92 4.88 3.64 -1.02 0.19 116.57 125.05 1nit h LYS 624 Ca 0.30 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1nit h LYS 624 Cb 0.04 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1nit h LYS 624 CO -0.05 0.60 0.60 0.37 -2.27 0.00 0.00 179.45 178.70 1nit h GLN 625 N 0.35 1.07 -0.58 1.90 4.15 -0.90 -2.43 115.11 118.68 1nit h GLN 625 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1nit h GLN 625 Cb 0.32 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1nit h GLN 625 CO 0.00 0.71 0.00 0.72 -1.93 0.00 0.00 178.83 178.33 1nit n HIS 626 N -4.47 0.83 -1.15 3.99 8.25 -0.62 -4.95 115.22 117.11 1nit n HIS 626 Ca 0.13 -0.39 -0.04 0.00 -0.26 0.00 0.00 57.72 57.16 1nit n HIS 626 Cb 0.16 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 1nit n HIS 626 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nit n GLY 627 N 1.31 0.63 3.54 -1.41 0.00 -0.63 -5.02 105.19 103.62 1nit n GLY 627 Ca 0.19 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1nit n GLY 627 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nit s ILE 628 N -2.13 5.10 0.08 -0.61 1.01 0.58 -5.01 121.20 120.21 1nit s ILE 628 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 1nit s ILE 628 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1nit s ILE 628 CO 0.00 -0.17 0.84 -0.13 0.00 0.00 0.00 174.94 175.49 1nit s ARG 629 N 2.18 4.58 0.30 2.79 0.52 -1.26 -4.15 118.95 123.91 1nit s ARG 629 Ca 0.15 1.22 0.04 0.00 -0.52 0.00 0.00 55.73 56.62 1nit s ARG 629 Cb -0.16 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 1nit s ARG 629 CO 0.12 0.27 0.03 1.67 0.02 0.00 0.00 175.30 177.41 1nit s TRP 630 N -0.08 1.90 0.06 -0.53 1.48 -1.23 -0.92 118.94 119.63 1nit s TRP 630 Ca 0.42 -0.90 0.04 0.00 -1.06 0.00 0.00 56.10 54.59 1nit s TRP 630 Cb -0.22 -1.19 -0.03 0.00 -1.16 0.00 0.00 33.47 30.87 1nit s TRP 630 CO 0.26 0.05 -0.12 0.08 -4.06 0.00 0.00 176.95 173.16 1nit s VAL 631 N -3.26 0.91 -0.09 -0.66 1.01 -0.10 -0.85 120.40 117.36 1nit s VAL 631 Ca 0.34 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1nit s VAL 631 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1nit s VAL 631 CO 0.14 -0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 174.15 1nit s VAL 632 N -1.42 3.50 -0.20 2.92 1.01 -1.00 -0.73 120.40 124.48 1nit s VAL 632 Ca -0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1nit s VAL 632 Cb -0.09 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1nit s VAL 632 CO 0.01 0.57 -0.01 -0.63 0.00 0.00 0.00 175.10 175.04 1nit s ILE 633 N -0.41 3.80 0.45 2.22 -1.09 -0.68 -1.08 121.20 124.39 1nit s ILE 633 Ca 0.06 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1nit s ILE 633 Cb -0.12 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1nit s ILE 633 CO 0.02 0.43 0.07 0.61 -1.23 0.00 0.00 174.94 174.84 1nit n GLY 634 N 4.36 3.43 0.00 6.18 0.00 0.26 -0.86 105.19 118.55 1nit n GLY 634 Ca -0.17 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1nit n GLY 634 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nit n ASP 635 N -1.41 0.00 -4.82 1.61 -0.08 -1.26 -3.04 116.55 107.55 1nit n ASP 635 Ca -0.13 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.80 1nit n ASP 635 Cb 0.61 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.01 1nit n ASP 635 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1nit s GLU 636 N 4.84 4.25 -1.45 -0.67 2.02 -1.26 -1.21 118.70 125.22 1nit s GLU 636 Ca 0.00 0.93 -0.08 0.00 0.02 0.00 0.00 54.97 55.83 1nit s GLU 636 Cb 0.00 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.60 1nit s GLU 636 CO 0.00 0.27 0.85 -1.71 0.02 0.00 0.00 175.26 174.69 1nit n ASN 637 N 0.28 -3.24 -4.72 -0.19 4.05 -0.94 -4.73 115.26 105.77 1nit n ASN 637 Ca 0.01 -0.81 -0.42 0.00 0.45 0.00 0.00 54.58 53.81 1nit n ASN 637 Cb 0.52 -3.88 -0.03 0.00 1.23 0.00 0.00 39.78 37.61 1nit n ASN 637 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1nit s TYR 638 N -3.47 3.05 0.00 1.20 6.14 0.06 -2.18 117.35 122.15 1nit s TYR 638 Ca 0.39 0.62 0.00 0.00 0.64 0.00 0.00 57.07 58.73 1nit s TYR 638 Cb -0.20 -3.94 0.00 0.00 0.42 0.00 0.00 41.96 38.24 1nit s TYR 638 CO 0.83 -3.46 0.00 0.41 0.64 0.00 0.00 175.55 173.97 1nit n GLY 639 N 3.69 0.80 3.54 8.97 0.00 0.43 -1.40 105.19 121.22 1nit n GLY 639 Ca 0.14 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1nit n GLY 639 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nit n GLU 640 N -2.40 0.86 0.00 1.61 2.13 -0.92 -4.20 120.64 117.71 1nit n GLU 640 Ca 0.00 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1nit n GLU 640 Cb 0.00 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1nit n GLU 640 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nit n GLY 641 N 1.77 0.24 3.58 8.31 0.00 -1.26 -1.14 105.19 116.69 1nit n GLY 641 Ca 0.15 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1nit n GLY 641 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nit n SER 642 N 0.00 0.57 0.00 1.61 2.88 -1.26 -4.86 113.62 112.56 1nit n SER 642 Ca 0.00 0.89 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 1nit n SER 642 Cb 0.00 -1.32 0.42 0.00 -0.75 0.00 0.00 64.21 62.56 1nit n SER 642 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nit n SER 643 N 0.09 0.00 -4.43 -3.46 3.41 -1.26 -4.72 113.62 103.25 1nit n SER 643 Ca 0.11 0.06 -0.58 0.00 -0.26 0.00 0.00 58.87 58.21 1nit n SER 643 Cb 0.44 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1nit n SER 643 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1nit n ARG 644 N -1.29 0.50 0.03 4.33 1.85 -1.26 -4.38 116.66 116.43 1nit n ARG 644 Ca 0.08 0.15 0.07 0.00 -1.00 0.00 0.00 57.85 57.15 1nit n ARG 644 Cb 0.14 -1.89 0.32 0.00 -1.05 0.00 0.00 32.46 29.98 1nit n ARG 644 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1nit n GLU 645 N 7.07 0.04 0.10 2.89 0.28 -1.26 -1.97 120.64 127.79 1nit n GLU 645 Ca 0.44 0.32 0.17 0.00 -0.16 0.00 0.00 57.16 57.93 1nit n GLU 645 Cb 0.07 -1.58 0.71 0.00 1.43 0.00 0.00 31.44 32.06 1nit n GLU 645 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1nit h HIS 646 N 0.00 0.00 0.00 -1.84 3.86 -1.98 0.41 115.15 115.60 1nit h HIS 646 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nit h HIS 646 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1nit h HIS 646 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1nit h ARG 647 N 0.00 0.00 0.00 2.45 -0.00 -1.76 -0.66 114.38 114.41 1nit h ARG 647 Ca 0.16 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.29 1nit h ARG 647 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.59 1nit h ARG 647 CO -0.00 0.00 -2.33 0.00 0.00 0.00 0.00 179.97 177.63 1nit n ALA 648 N -1.88 1.50 -0.09 0.04 0.00 -0.00 -4.49 120.51 115.59 1nit n ALA 648 Ca 0.02 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.23 1nit n ALA 648 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 1nit n ALA 648 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nit h LEU 649 N 0.00 0.92 0.08 0.00 3.38 -0.93 -3.01 115.31 115.75 1nit h LEU 649 Ca -0.52 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.00 1nit h LEU 649 Cb 1.96 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1nit h LEU 649 CO -0.04 1.22 -0.04 -0.33 0.09 0.00 0.00 178.44 179.35 1nit h GLU 650 N 0.69 -0.10 -0.03 1.13 5.08 -1.38 -0.29 114.58 119.68 1nit h GLU 650 Ca 0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1nit h GLU 650 Cb 1.02 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1nit h GLU 650 CO 0.10 0.02 -0.05 -1.00 -1.00 0.00 0.00 179.01 177.08 1nit h PRO 651 N -0.20 0.04 -0.16 2.33 0.13 -1.79 -1.77 132.00 130.58 1nit h PRO 651 Ca -0.01 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 1nit h PRO 651 Cb 0.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1nit h PRO 651 CO 0.02 0.10 -0.23 -0.09 -0.23 0.00 0.00 178.00 177.56 1nit h ARG 652 N 0.05 0.44 -0.74 0.86 9.65 -1.33 0.11 114.38 123.41 1nit h ARG 652 Ca 0.01 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.64 1nit h ARG 652 Cb 0.12 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 1nit h ARG 652 CO 0.01 0.85 0.49 0.35 2.80 0.00 0.00 179.97 184.46 1nit h PHE 653 N 0.07 0.93 -0.23 2.20 3.57 -0.73 -2.76 116.94 120.00 1nit h PHE 653 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1nit h PHE 653 Cb 0.80 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1nit h PHE 653 CO 0.09 0.59 0.01 1.28 -2.23 0.00 0.00 178.31 178.05 1nit n LEU 654 N -4.56 2.94 0.00 0.59 4.77 -0.69 -4.88 117.00 115.16 1nit n LEU 654 Ca 0.07 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1nit n LEU 654 Cb 0.02 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1nit n LEU 654 CO 0.36 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1nit n GLY 655 N 0.23 0.83 3.80 -0.72 0.00 -1.04 -4.48 105.19 103.81 1nit n GLY 655 Ca 0.11 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1nit n GLY 655 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nit s GLY 656 N -2.07 2.26 0.00 -0.02 0.00 0.36 -3.49 107.32 104.36 1nit s GLY 656 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1nit s GLY 656 CO 0.00 0.77 0.00 0.54 0.00 0.00 0.00 173.10 174.41 1nit n ARG 657 N -1.62 0.14 -3.72 2.90 3.00 -0.03 -4.61 116.66 112.73 1nit n ARG 657 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.81 1nit n ARG 657 Cb 0.53 -0.96 -0.07 0.00 0.00 0.00 0.00 32.46 31.96 1nit n ARG 657 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nit s ALA 658 N -1.92 -0.79 -0.11 7.54 0.00 -1.25 -2.47 121.76 122.77 1nit s ALA 658 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1nit s ALA 658 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1nit s ALA 658 CO 0.00 -0.46 -0.10 0.42 0.00 0.00 0.00 175.76 175.63 1nit s ILE 659 N -2.72 1.17 -0.18 0.00 -1.09 -0.84 -2.38 121.20 115.16 1nit s ILE 659 Ca -0.04 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1nit s ILE 659 Cb -0.00 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.75 1nit s ILE 659 CO -0.04 0.39 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.24 1nit s ILE 660 N 1.45 2.20 0.30 2.92 1.01 -0.24 -1.44 121.20 127.40 1nit s ILE 660 Ca 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1nit s ILE 660 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1nit s ILE 660 CO -0.06 0.53 0.19 0.42 0.00 0.00 0.00 174.94 176.02 1nit s THR 661 N 1.21 0.19 0.06 2.92 -4.23 -0.52 -0.57 115.64 114.69 1nit s THR 661 Ca 0.03 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 1nit s THR 661 Cb -0.14 -2.50 -0.26 0.00 1.34 0.00 0.00 72.50 70.94 1nit s THR 661 CO -0.10 0.00 1.14 0.11 -0.54 0.00 0.00 174.62 175.24 1nit h LYS 662 N 2.24 0.66 -3.14 3.99 1.57 -1.07 -2.15 116.57 118.68 1nit h LYS 662 Ca -0.31 -0.80 0.02 0.00 -1.87 0.00 0.00 60.65 57.69 1nit h LYS 662 Cb 1.25 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.73 1nit h LYS 662 CO 0.48 1.36 0.15 -1.54 -0.57 0.00 0.00 179.45 179.32 1nit s SER 663 N -7.37 -0.28 0.09 0.86 1.04 -1.13 -4.61 113.70 102.30 1nit s SER 663 Ca -0.10 -0.54 0.09 0.00 0.48 0.00 0.00 55.95 55.89 1nit s SER 663 Cb 0.06 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 1nit s SER 663 CO 0.93 -1.21 -0.24 -0.36 0.98 0.00 0.00 173.24 173.34 1nit s PHE 664 N -3.90 2.05 0.59 5.02 0.08 -1.26 -0.76 117.98 119.80 1nit s PHE 664 Ca 0.11 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.61 1nit s PHE 664 Cb -0.04 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1nit s PHE 664 CO 0.03 0.22 1.04 0.00 -0.10 0.00 0.00 175.22 176.40 1nit s ALA 665 N -1.00 2.83 0.04 5.36 0.00 -0.49 -4.74 121.76 123.76 1nit s ALA 665 Ca 0.10 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 1nit s ALA 665 Cb -0.10 -3.19 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 1nit s ALA 665 CO 0.04 -0.72 1.51 -0.09 0.00 0.00 0.00 175.76 176.49 1nit h ARG 666 N 0.36 -0.11 -0.41 0.00 2.43 -1.91 -2.23 114.38 112.52 1nit h ARG 666 Ca -0.46 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 1nit h ARG 666 Cb 1.21 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1nit h ARG 666 CO 0.58 0.12 -0.15 0.82 -1.51 0.00 0.00 179.97 179.83 1nit h ILE 667 N -0.32 1.26 -0.41 1.20 2.04 -1.92 -1.65 117.51 117.71 1nit h ILE 667 Ca -0.01 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 1nit h ILE 667 Cb 0.27 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1nit h ILE 667 CO 0.02 0.42 -0.13 -0.74 0.00 0.00 0.00 178.15 177.71 1nit h HIS 668 N 0.69 0.92 -0.76 1.37 2.76 -1.79 0.12 115.15 118.46 1nit h HIS 668 Ca 0.11 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1nit h HIS 668 Cb 0.64 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1nit h HIS 668 CO 0.03 0.95 0.36 1.49 -1.30 0.00 0.00 177.93 179.46 1nit h GLU 669 N 0.63 1.09 -0.47 5.26 4.81 -1.13 0.03 114.58 124.79 1nit h GLU 669 Ca 0.10 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1nit h GLU 669 Cb 0.67 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1nit h GLU 669 CO 0.05 0.84 -0.13 1.15 -0.73 0.00 0.00 179.01 180.19 1nit h THR 670 N 1.08 1.27 -0.63 0.32 2.02 -0.75 -2.67 112.91 113.54 1nit h THR 670 Ca 0.26 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1nit h THR 670 Cb 0.12 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1nit h THR 670 CO -0.03 0.44 0.20 0.78 0.37 0.00 0.00 175.52 177.28 1nit h ASN 671 N 0.78 0.89 -0.40 4.18 -0.26 -0.43 -1.18 115.58 119.16 1nit h ASN 671 Ca 0.12 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1nit h ASN 671 Cb 0.69 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1nit h ASN 671 CO 0.05 0.83 0.14 -0.07 -1.06 0.00 0.00 177.43 177.32 1nit h LEU 672 N 0.93 0.57 -0.82 1.61 3.38 -0.85 -2.67 115.31 117.45 1nit h LEU 672 Ca 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nit h LEU 672 Cb 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1nit h LEU 672 CO -0.01 0.60 0.52 0.11 0.09 0.00 0.00 178.44 179.75 1nit h LYS 673 N 0.49 1.10 -0.53 1.13 1.57 -1.18 -1.77 116.57 117.39 1nit h LYS 673 Ca 0.13 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1nit h LYS 673 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1nit h LYS 673 CO -0.01 0.76 0.36 0.87 -0.57 0.00 0.00 179.45 180.86 1nit h LYS 674 N 1.12 0.37 -0.67 3.15 1.79 -0.92 -2.31 116.57 119.09 1nit h LYS 674 Ca 0.30 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1nit h LYS 674 Cb -0.08 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1nit h LYS 674 CO -0.06 0.24 0.00 1.04 -1.08 0.00 0.00 179.45 179.59 1nit n GLN 675 N -4.47 3.13 -0.83 3.15 1.13 -1.03 -0.27 117.38 118.19 1nit n GLN 675 Ca 0.08 -2.60 0.00 0.00 -1.94 0.00 0.00 57.00 52.54 1nit n GLN 675 Cb 0.32 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.96 1nit n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nit n GLY 676 N 1.33 0.57 3.98 1.08 0.00 -0.87 -4.68 105.19 106.60 1nit n GLY 676 Ca 0.24 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1nit n GLY 676 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nit s LEU 677 N 0.00 3.67 -0.47 0.99 1.43 -0.68 -4.89 118.68 118.73 1nit s LEU 677 Ca 0.00 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 1nit s LEU 677 Cb 0.00 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1nit s LEU 677 CO 0.00 -0.72 0.35 -0.76 0.23 0.00 0.00 176.35 175.44 1nit s LEU 678 N -4.44 5.69 -0.28 1.79 1.43 -1.03 -4.13 118.68 117.70 1nit s LEU 678 Ca 0.51 -1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 51.43 1nit s LEU 678 Cb -0.10 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1nit s LEU 678 CO 0.35 -0.69 1.17 -2.16 0.23 0.00 0.00 176.35 175.25 1nit s PRO 679 N 1.37 4.06 0.04 1.29 0.04 -1.26 -1.99 135.00 138.55 1nit s PRO 679 Ca 0.06 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.40 1nit s PRO 679 Cb -0.26 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 1nit s PRO 679 CO -0.00 -0.91 -0.18 -0.51 0.04 0.00 0.00 177.00 175.43 1nit s LEU 680 N 3.81 2.15 0.15 -3.56 1.43 -0.52 -4.69 118.68 117.45 1nit s LEU 680 Ca 0.50 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1nit s LEU 680 Cb -0.15 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1nit s LEU 680 CO 0.17 0.12 -0.18 0.42 0.23 0.00 0.00 176.35 177.11 1nit s THR 681 N -0.77 2.80 0.21 5.49 -4.23 0.50 -1.44 115.64 118.20 1nit s THR 681 Ca 0.05 -1.66 -0.32 0.00 -1.18 0.00 0.00 61.69 58.59 1nit s THR 681 Cb -0.08 -2.32 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 1nit s THR 681 CO 0.01 0.00 1.66 -0.36 -0.54 0.00 0.00 174.62 175.40 1nit s PHE 682 N -1.38 2.93 0.26 3.99 0.08 -0.81 -0.19 117.98 122.86 1nit s PHE 682 Ca 0.20 0.48 0.14 0.00 0.12 0.00 0.00 56.93 57.87 1nit s PHE 682 Cb -0.10 -4.07 0.57 0.00 -0.57 0.00 0.00 43.02 38.86 1nit s PHE 682 CO 0.11 -3.98 1.71 0.00 -0.10 0.00 0.00 175.22 172.96 1nit h ALA 683 N 6.54 1.07 -3.61 5.36 0.00 -1.66 -3.37 119.26 123.59 1nit h ALA 683 Ca -0.43 -0.43 -0.62 0.00 0.00 0.00 0.00 54.91 53.43 1nit h ALA 683 Cb 1.20 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.53 1nit h ALA 683 CO 0.92 0.59 -0.78 0.34 0.00 0.00 0.00 179.25 180.33 1nit s ASP 684 N -6.69 4.01 0.62 0.00 -1.08 -1.26 -5.01 116.67 107.25 1nit s ASP 684 Ca -0.01 -1.35 0.29 0.00 -0.52 0.00 0.00 52.55 50.96 1nit s ASP 684 Cb 0.12 -1.22 1.57 0.00 -1.46 0.00 0.00 42.92 41.93 1nit s ASP 684 CO 0.72 -0.27 1.87 1.55 0.52 0.00 0.00 175.17 179.57 1nit h PRO 685 N 7.92 0.00 0.00 4.34 0.13 -1.96 -0.52 132.00 141.91 1nit h PRO 685 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1nit h PRO 685 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1nit h PRO 685 CO 0.43 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.15 1nit h ALA 686 N 1.39 1.07 0.00 -0.56 0.00 -1.95 -2.73 119.26 116.48 1nit h ALA 686 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nit h ALA 686 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nit h ALA 686 CO 0.00 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1nit n ASP 687 N -3.26 0.28 0.26 0.00 8.00 -0.20 -1.20 116.55 120.43 1nit n ASP 687 Ca -0.01 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.18 1nit n ASP 687 Cb 0.24 -0.64 0.67 0.00 -0.02 0.00 0.00 41.12 41.37 1nit n ASP 687 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1nit h TYR 688 N 0.00 0.00 -0.00 1.24 5.03 -1.70 -1.76 116.97 119.78 1nit h TYR 688 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1nit h TYR 688 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1nit h TYR 688 CO 0.00 0.03 -0.19 0.09 -1.32 0.00 0.00 178.16 176.77 1nit n ASN 689 N -4.38 0.21 0.12 -2.11 3.02 -0.34 -3.25 115.26 108.54 1nit n ASN 689 Ca -0.03 0.15 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 1nit n ASN 689 Cb 0.11 -0.20 0.38 0.00 -0.61 0.00 0.00 39.78 39.46 1nit n ASN 689 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1nit h LYS 690 N 0.04 0.00 -5.07 3.52 1.57 -1.46 -3.44 116.57 111.73 1nit h LYS 690 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1nit h LYS 690 Cb 0.49 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.57 1nit h LYS 690 CO 0.00 0.00 -0.64 0.42 -0.57 0.00 0.00 179.45 178.66 1nit s ILE 691 N -3.11 4.11 0.10 1.86 1.01 -1.20 -5.08 121.20 118.89 1nit s ILE 691 Ca 0.10 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1nit s ILE 691 Cb 0.11 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1nit s ILE 691 CO 0.61 0.40 -0.01 -1.00 0.00 0.00 0.00 174.94 174.93 1nit s HIS 692 N 1.20 2.93 0.58 3.97 3.76 -1.26 -5.00 115.29 121.47 1nit s HIS 692 Ca 0.04 -0.06 0.32 0.00 -0.15 0.00 0.00 55.06 55.20 1nit s HIS 692 Cb -0.14 -1.50 1.41 0.00 1.11 0.00 0.00 32.58 33.45 1nit s HIS 692 CO 0.02 0.48 1.75 -1.35 -0.85 0.00 0.00 174.74 174.78 1nit h PRO 693 N 3.35 0.00 0.00 8.40 0.11 -1.98 -0.96 132.00 140.92 1nit h PRO 693 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nit h PRO 693 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nit h PRO 693 CO 0.58 0.00 -0.44 1.55 -0.21 0.00 0.00 178.00 179.49 1nit n VAL 694 N -3.79 0.42 -2.12 3.15 3.14 -1.26 -4.54 118.33 113.33 1nit n VAL 694 Ca 0.18 -0.27 -0.35 0.00 -2.96 0.00 0.00 64.34 60.94 1nit n VAL 694 Cb 1.06 -0.26 0.02 0.00 -1.06 0.00 0.00 33.84 33.60 1nit n VAL 694 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1nit s ASP 695 N -4.28 5.52 0.18 6.55 1.01 -0.37 -4.78 116.67 120.49 1nit s ASP 695 Ca 0.08 2.17 0.07 0.00 0.71 0.00 0.00 52.55 55.57 1nit s ASP 695 Cb 0.13 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1nit s ASP 695 CO 0.68 -1.36 0.04 -0.54 0.21 0.00 0.00 175.17 174.20 1nit s LYS 696 N -3.46 2.54 0.01 8.23 -0.14 -0.98 -4.33 119.74 121.61 1nit s LYS 696 Ca 0.72 -1.06 0.05 0.00 -1.36 0.00 0.00 55.97 54.33 1nit s LYS 696 Cb -0.24 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.46 1nit s LYS 696 CO 0.31 0.46 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.69 1nit s LEU 697 N -3.03 2.10 -0.14 3.17 1.43 -0.80 -0.77 118.68 120.65 1nit s LEU 697 Ca 0.29 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1nit s LEU 697 Cb -0.09 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1nit s LEU 697 CO 0.20 0.12 -0.22 -0.89 0.23 0.00 0.00 176.35 175.79 1nit s THR 698 N -0.59 2.08 -0.28 5.49 2.01 -0.68 -0.50 115.64 123.17 1nit s THR 698 Ca 0.04 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 1nit s THR 698 Cb -0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1nit s THR 698 CO 0.00 0.55 0.17 -0.63 -0.69 0.00 0.00 174.62 174.02 1nit s ILE 699 N 0.76 5.09 0.24 1.82 -1.09 0.09 -0.85 121.20 127.26 1nit s ILE 699 Ca -0.08 0.05 0.10 0.00 -2.23 0.00 0.00 60.65 58.49 1nit s ILE 699 Cb -0.16 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1nit s ILE 699 CO -0.01 0.24 -0.08 -1.10 -1.23 0.00 0.00 174.94 172.77 1nit s GLN 700 N 1.72 2.09 0.00 2.79 -0.21 -0.23 -2.16 119.66 123.66 1nit s GLN 700 Ca 0.07 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.02 1nit s GLN 700 Cb -0.16 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1nit s GLN 700 CO 0.09 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 1nit n GLY 701 N -0.49 0.86 0.22 3.09 0.00 -1.26 -2.99 105.19 104.62 1nit n GLY 701 Ca -0.08 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1nit n GLY 701 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nit h LEU 702 N 0.00 0.00 -1.24 0.99 -0.00 -1.91 -2.89 115.31 110.26 1nit h LEU 702 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1nit h LEU 702 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1nit h LEU 702 CO 0.00 0.23 -0.31 0.11 -0.00 0.00 0.00 178.44 178.47 1nit h LYS 703 N 0.00 0.12 -1.10 1.13 6.56 -1.92 -2.65 116.57 118.70 1nit h LYS 703 Ca -0.00 -0.04 -0.54 0.00 -1.06 0.00 0.00 60.65 59.01 1nit h LYS 703 Cb 0.70 -0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 31.93 1nit h LYS 703 CO 0.03 0.42 -0.82 -0.40 -2.06 0.00 0.00 179.45 176.62 1nit n ASP 704 N -4.14 4.42 -4.68 0.86 5.68 -1.11 -5.04 116.55 112.55 1nit n ASP 704 Ca -0.02 -3.57 -0.46 0.00 -0.50 0.00 0.00 54.79 50.24 1nit n ASP 704 Cb 0.38 -0.42 -0.04 0.00 -1.14 0.00 0.00 41.12 39.90 1nit n ASP 704 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1nit n PHE 705 N -0.56 2.37 -3.73 2.11 7.35 -1.00 -4.99 117.46 119.01 1nit n PHE 705 Ca 0.37 0.14 -0.14 0.00 -0.76 0.00 0.00 57.45 57.07 1nit n PHE 705 Cb 0.81 -2.60 -0.09 0.00 0.35 0.00 0.00 39.48 37.95 1nit n PHE 705 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1nit s ALA 706 N 1.77 -0.94 0.13 3.13 0.00 -1.26 -5.08 121.76 119.50 1nit s ALA 706 Ca 0.82 0.60 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 1nit s ALA 706 Cb -0.64 -0.07 -0.15 0.00 0.00 0.00 0.00 23.12 22.25 1nit s ALA 706 CO 0.40 -0.26 1.44 -2.30 0.00 0.00 0.00 175.76 175.04 1nit n PRO 707 N 1.53 1.61 -0.07 0.00 -0.02 -1.26 -1.83 135.00 134.97 1nit n PRO 707 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1nit n PRO 707 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1nit n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nit n GLY 708 N 2.88 2.62 3.66 -1.23 0.00 -1.26 -5.00 105.19 106.87 1nit n GLY 708 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1nit n GLY 708 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nit s LYS 709 N -0.01 4.10 0.78 1.61 2.20 -0.76 -5.06 119.74 122.61 1nit s LYS 709 Ca 0.00 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.37 1nit s LYS 709 Cb 0.00 -3.54 0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1nit s LYS 709 CO 0.00 0.01 1.13 -1.25 -0.36 0.00 0.00 175.35 174.88 1nit s PRO 710 N 1.18 2.00 0.02 4.03 0.04 -1.26 -4.61 135.00 136.40 1nit s PRO 710 Ca 0.11 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1nit s PRO 710 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1nit s PRO 710 CO 0.06 -1.87 0.10 -0.51 0.04 0.00 0.00 177.00 174.82 1nit s LEU 711 N -5.78 3.96 0.05 -3.56 1.43 -0.13 -4.91 118.68 109.74 1nit s LEU 711 Ca 0.66 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1nit s LEU 711 Cb -0.21 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1nit s LEU 711 CO 0.52 0.24 0.35 0.42 0.23 0.00 0.00 176.35 178.11 1nit s THR 712 N -1.27 5.18 -0.12 5.49 -4.23 -1.16 -0.40 115.64 119.12 1nit s THR 712 Ca 0.26 0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1nit s THR 712 Cb -0.12 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1nit s THR 712 CO 0.17 0.32 -0.10 0.00 -0.54 0.00 0.00 174.62 174.48 1nit s ILE 714 N 1.56 5.04 -0.29 0.00 1.09 -0.03 -0.80 121.20 127.77 1nit s ILE 714 Ca 0.03 0.24 -0.24 0.00 -1.10 0.00 0.00 60.65 59.58 1nit s ILE 714 Cb -0.13 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 1nit s ILE 714 CO -0.08 -0.22 0.84 -0.63 -0.10 0.00 0.00 174.94 174.75 1nit s ILE 715 N 2.32 4.77 -0.56 2.92 1.01 0.10 -1.68 121.20 130.08 1nit s ILE 715 Ca 0.17 1.37 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 1nit s ILE 715 Cb -0.16 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.25 1nit s ILE 715 CO 0.13 -0.22 0.59 -0.54 0.00 0.00 0.00 174.94 174.90 1nit s LYS 716 N 3.01 3.02 0.55 2.79 1.02 0.05 -1.40 119.74 128.78 1nit s LYS 716 Ca 0.35 -1.46 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 1nit s LYS 716 Cb -0.14 -4.26 -0.06 0.00 -0.52 0.00 0.00 37.83 32.85 1nit s LYS 716 CO 0.11 -1.40 1.03 -1.01 -0.92 0.00 0.00 175.35 173.17 1nit s HIS 717 N 2.16 3.11 0.20 3.18 3.76 0.65 -2.32 115.29 126.03 1nit s HIS 717 Ca 0.08 1.51 -0.08 0.00 -0.15 0.00 0.00 55.06 56.42 1nit s HIS 717 Cb -0.26 -2.96 0.12 0.00 1.11 0.00 0.00 32.58 30.59 1nit s HIS 717 CO 0.05 -0.85 1.71 -1.35 -0.85 0.00 0.00 174.74 173.45 1nit h PRO 718 N 0.79 1.14 0.00 8.40 0.11 -1.86 -1.09 132.00 139.48 1nit h PRO 718 Ca -0.47 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.36 1nit h PRO 718 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nit h PRO 718 CO 0.59 1.01 0.00 0.27 -0.21 0.00 0.00 178.00 179.66 1nit n ASN 719 N -4.22 0.00 0.00 -2.05 0.23 -1.26 -4.82 115.26 103.13 1nit n ASN 719 Ca 0.05 -0.52 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 1nit n ASN 719 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1nit n ASN 719 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nit n GLY 720 N -0.20 1.96 3.77 4.83 0.00 -0.41 -5.05 105.19 110.08 1nit n GLY 720 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1nit n GLY 720 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nit s THR 721 N -2.40 2.66 0.10 2.61 2.01 -1.25 -4.82 115.64 114.55 1nit s THR 721 Ca 0.00 0.59 0.10 0.00 0.31 0.00 0.00 61.69 62.69 1nit s THR 721 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1nit s THR 721 CO 0.00 0.09 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.67 1nit s GLN 722 N -2.21 1.41 -0.03 4.92 -0.21 -1.26 -0.25 119.66 122.03 1nit s GLN 722 Ca 0.56 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.71 1nit s GLN 722 Cb -0.38 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 31.86 1nit s GLN 722 CO 0.49 0.43 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.83 1nit s GLU 723 N -1.84 0.67 -0.15 2.91 2.02 -0.49 -4.97 118.70 116.85 1nit s GLU 723 Ca 0.12 -0.13 -0.08 0.00 0.02 0.00 0.00 54.97 54.90 1nit s GLU 723 Cb -0.10 -0.68 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 1nit s GLU 723 CO 0.05 -0.01 0.13 0.99 0.02 0.00 0.00 175.26 176.44 1nit s THR 724 N 0.54 5.46 0.19 3.63 2.01 -1.26 0.01 115.64 126.22 1nit s THR 724 Ca -0.07 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1nit s THR 724 Cb -0.10 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1nit s THR 724 CO -0.00 0.56 0.03 0.27 -0.69 0.00 0.00 174.62 174.78 1nit s ILE 725 N -0.54 0.65 -0.00 1.82 -4.36 0.02 -4.99 121.20 113.80 1nit s ILE 725 Ca 0.12 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1nit s ILE 725 Cb -0.12 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1nit s ILE 725 CO 0.02 -0.35 -0.15 -0.76 0.24 0.00 0.00 174.94 173.94 1nit s LEU 726 N -3.21 2.75 -0.08 0.37 1.43 -1.26 -0.75 118.68 117.92 1nit s LEU 726 Ca 0.27 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1nit s LEU 726 Cb 0.06 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1nit s LEU 726 CO 0.06 0.30 -0.21 -0.76 0.23 0.00 0.00 176.35 175.98 1nit s LEU 727 N -1.15 1.96 0.40 1.79 1.43 0.46 -1.65 118.68 121.92 1nit s LEU 727 Ca 0.14 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1nit s LEU 727 Cb -0.11 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1nit s LEU 727 CO 0.04 0.14 0.63 0.20 0.23 0.00 0.00 176.35 177.59 1nit s ASN 728 N 0.32 6.13 0.12 2.29 0.01 0.73 -0.95 114.94 123.59 1nit s ASN 728 Ca -0.14 0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.39 1nit s ASN 728 Cb -0.16 -1.90 -0.00 0.00 0.41 0.00 0.00 41.25 39.60 1nit s ASN 728 CO 0.06 -0.48 0.25 -1.38 -1.51 0.00 0.00 177.10 174.04 1nit s HIS 729 N -2.47 0.24 -0.27 2.20 -3.43 -1.26 -0.37 115.29 109.93 1nit s HIS 729 Ca 0.44 -0.63 0.10 0.00 -0.80 0.00 0.00 55.06 54.16 1nit s HIS 729 Cb -0.10 -0.04 0.49 0.00 -1.43 0.00 0.00 32.58 31.50 1nit s HIS 729 CO 0.38 -0.63 1.41 0.25 -2.00 0.00 0.00 174.74 174.15 1nit n THR 730 N -0.14 2.47 -2.37 -5.38 -2.24 -1.26 -4.69 114.28 100.66 1nit n THR 730 Ca -0.12 -2.79 -0.41 0.00 -2.27 0.00 0.00 64.05 58.46 1nit n THR 730 Cb 0.63 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1nit n THR 730 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1nit s PHE 731 N -3.22 3.42 0.00 4.78 0.40 -1.26 -5.04 117.98 117.06 1nit s PHE 731 Ca 0.43 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 1nit s PHE 731 Cb 0.39 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.49 1nit s PHE 731 CO -0.01 -1.23 0.00 0.27 0.70 0.00 0.00 175.22 174.95 1nit n ASN 732 N 2.65 0.00 0.10 1.36 6.94 -1.26 -4.06 115.26 120.99 1nit n ASN 732 Ca 0.05 -0.96 -0.04 0.00 -0.02 0.00 0.00 54.58 53.61 1nit n ASN 732 Cb 0.45 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.92 1nit n ASN 732 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1nit h GLU 733 N 0.00 0.04 -0.38 -3.83 4.39 -2.00 -2.24 114.58 110.57 1nit h GLU 733 Ca 0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1nit h GLU 733 Cb 0.00 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1nit h GLU 733 CO 0.00 0.79 0.24 1.15 -1.16 0.00 0.00 179.01 180.03 1nit h THR 734 N 0.03 1.08 -0.06 1.13 2.02 -2.00 -2.54 112.91 112.56 1nit h THR 734 Ca -0.01 -0.17 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1nit h THR 734 Cb 1.36 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1nit h THR 734 CO 0.10 0.09 -0.64 1.56 0.37 0.00 0.00 175.52 177.00 1nit h GLN 735 N 0.49 0.24 -0.31 6.66 4.20 -1.87 -2.84 115.11 121.68 1nit h GLN 735 Ca 0.14 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1nit h GLN 735 Cb -0.04 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1nit h GLN 735 CO -0.04 0.80 -0.02 0.82 -0.67 0.00 0.00 178.83 179.72 1nit h ILE 736 N 0.17 1.19 -0.75 2.54 2.04 -1.14 -1.51 117.51 120.06 1nit h ILE 736 Ca -0.01 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1nit h ILE 736 Cb 1.17 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1nit h ILE 736 CO 0.10 0.26 0.36 -0.33 0.00 0.00 0.00 178.15 178.54 1nit h GLU 737 N 0.46 1.07 0.04 2.37 4.39 -1.22 -0.39 114.58 121.30 1nit h GLU 737 Ca 0.10 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1nit h GLU 737 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1nit h GLU 737 CO 0.01 0.82 -0.11 -1.49 -1.16 0.00 0.00 179.01 177.08 1nit h TRP 738 N 1.06 -0.29 -0.11 4.33 6.55 -1.20 -1.40 115.95 124.88 1nit h TRP 738 Ca 0.26 0.01 0.04 0.00 0.95 0.00 0.00 58.89 60.14 1nit h TRP 738 Cb 0.11 0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 28.49 1nit h TRP 738 CO 0.01 -0.18 -0.13 0.35 -1.05 0.00 0.00 178.44 177.45 1nit h PHE 739 N -0.22 -0.32 -0.94 0.49 3.57 -1.15 -1.73 116.94 116.64 1nit h PHE 739 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1nit h PHE 739 Cb 0.25 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1nit h PHE 739 CO -0.15 -0.19 0.62 0.00 -2.23 0.00 0.00 178.31 176.35 1nit h ARG 740 N -0.16 1.19 0.00 1.11 3.08 -0.86 -2.33 114.38 116.41 1nit h ARG 740 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1nit h ARG 740 Cb 0.28 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1nit h ARG 740 CO -0.21 0.79 0.00 0.00 -1.07 0.00 0.00 179.97 179.48 1nit n ALA 741 N -2.39 2.17 0.00 0.04 0.00 -0.54 -1.54 120.51 118.24 1nit n ALA 741 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nit n ALA 741 Cb 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1nit n ALA 741 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nit n GLY 742 N 1.10 3.19 3.59 0.00 0.00 -0.84 -4.11 105.19 108.12 1nit n GLY 742 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1nit n GLY 742 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nit s SER 743 N -0.26 -0.01 0.21 1.61 1.04 -0.71 -3.83 113.70 111.74 1nit s SER 743 Ca 0.00 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 1nit s SER 743 Cb 0.00 0.02 0.17 0.00 0.10 0.00 0.00 66.02 66.30 1nit s SER 743 CO 0.00 -0.03 1.67 0.00 0.98 0.00 0.00 173.24 175.86 1nit h ALA 744 N 2.00 0.91 -0.75 5.32 0.00 -0.82 -2.35 119.26 123.57 1nit h ALA 744 Ca -0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1nit h ALA 744 Cb 1.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1nit h ALA 744 CO 0.25 0.64 0.47 1.25 0.00 0.00 0.00 179.25 181.86 1nit h LEU 745 N 0.85 0.89 -0.73 0.00 5.85 -1.96 -0.94 115.31 119.27 1nit h LEU 745 Ca 0.15 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1nit h LEU 745 Cb 0.58 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1nit h LEU 745 CO 0.04 0.67 -0.32 0.78 -0.34 0.00 0.00 178.44 179.27 1nit h ASN 746 N 1.03 0.64 -0.34 1.25 2.35 -1.75 -0.68 115.58 118.08 1nit h ASN 746 Ca 0.27 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1nit h ASN 746 Cb -0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1nit h ASN 746 CO -0.05 0.91 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.48 1nit h ARG 747 N 0.53 0.64 -0.40 0.81 1.12 -1.08 -0.29 114.38 115.72 1nit h ARG 747 Ca 0.06 -0.24 -0.02 0.00 -1.11 0.00 0.00 59.98 58.67 1nit h ARG 747 Cb 0.80 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.71 1nit h ARG 747 CO 0.07 0.81 0.16 1.98 -3.11 0.00 0.00 179.97 179.87 1nit h MET 748 N 0.43 0.59 0.00 0.20 4.05 -0.74 -1.31 114.93 118.15 1nit h MET 748 Ca 0.09 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1nit h MET 748 Cb 0.56 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1nit h MET 748 CO 0.03 0.56 -0.14 0.87 0.23 0.00 0.00 176.91 178.46 1nit h LYS 749 N 0.50 0.00 -0.49 0.39 1.57 -1.03 -1.76 116.57 115.75 1nit h LYS 749 Ca 0.13 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1nit h LYS 749 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nit h LYS 749 CO -0.01 0.14 -0.21 0.93 -0.57 0.00 0.00 179.45 179.73 1nit h GLU 750 N 0.00 1.00 0.00 3.15 5.08 0.06 -3.13 114.58 120.74 1nit h GLU 750 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1nit h GLU 750 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1nit h GLU 750 CO 0.02 1.10 0.00 1.28 -1.00 0.00 0.00 179.01 180.41 1nit n LEU 751 N -4.11 0.51 -2.76 1.33 4.77 -0.68 -2.84 117.00 113.23 1nit n LEU 751 Ca 0.00 0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 56.36 1nit n LEU 751 Cb 0.46 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1nit n LEU 751 CO 0.47 -0.63 2.12 0.00 -1.33 0.00 0.00 177.39 178.01 1nit n GLN 752 N -2.10 3.08 -0.26 3.23 6.02 -1.12 -4.83 117.38 121.39 1nit n GLN 752 Ca 0.01 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 1nit n GLN 752 Cb 0.15 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.06 1nit n GLN 752 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nit n GLN 753 N 1.98 -1.69 0.00 -1.09 10.64 -1.13 -5.06 117.38 121.02 1nit n GLN 753 Ca 0.56 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1nit n GLN 753 Cb 0.51 -2.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.06 1nit n GLN 753 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59