#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpd s VAL 5 N 0.00 0.01 -0.33 4.08 1.01 -1.26 -4.88 120.40 119.03 1cpd s VAL 5 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1cpd s VAL 5 Cb 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.32 1cpd s VAL 5 CO 0.00 0.13 0.06 -1.00 0.00 0.00 0.00 175.10 174.29 1cpd s HIS 6 N 1.30 3.18 0.04 5.22 3.76 -1.26 -5.06 115.29 122.46 1cpd s HIS 6 Ca -0.06 -2.64 -0.19 0.00 -0.15 0.00 0.00 55.06 52.03 1cpd s HIS 6 Cb -0.13 -2.57 -0.06 0.00 1.11 0.00 0.00 32.58 30.93 1cpd s HIS 6 CO -0.03 -0.93 0.54 0.08 -0.85 0.00 0.00 174.74 173.55 1cpd s VAL 7 N 1.10 4.85 -0.00 -0.90 1.01 -1.26 -0.26 120.40 124.95 1cpd s VAL 7 Ca 0.10 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1cpd s VAL 7 Cb -0.19 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1cpd s VAL 7 CO -0.13 0.53 1.06 0.00 0.00 0.00 0.00 175.10 176.56 1cpd s ALA 8 N -0.86 3.28 -0.27 5.51 0.00 0.85 -4.88 121.76 125.40 1cpd s ALA 8 Ca 0.28 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1cpd s ALA 8 Cb -0.18 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1cpd s ALA 8 CO 0.17 -0.38 -0.05 0.45 0.00 0.00 0.00 175.76 175.95 1cpd s SER 9 N 1.08 4.32 0.22 0.00 0.15 0.41 -4.70 113.70 115.18 1cpd s SER 9 Ca 0.54 -1.50 -0.32 0.00 0.70 0.00 0.00 55.95 55.37 1cpd s SER 9 Cb -0.23 -1.42 -0.14 0.00 -1.71 0.00 0.00 66.02 62.51 1cpd s SER 9 CO 0.27 -0.25 1.35 0.52 1.20 0.00 0.00 173.24 176.32 1cpd n VAL 10 N 4.48 0.90 -1.65 4.45 0.31 -1.26 -4.38 118.33 121.18 1cpd n VAL 10 Ca -0.09 -0.22 -0.50 0.00 -0.01 0.00 0.00 64.34 63.52 1cpd n VAL 10 Cb 0.43 -1.31 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 1cpd n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cpd n GLU 11 N 2.00 1.76 -1.57 5.55 4.71 -1.26 -4.73 120.64 127.10 1cpd n GLU 11 Ca 0.13 0.64 -0.56 0.00 -0.01 0.00 0.00 57.16 57.35 1cpd n GLU 11 Cb 0.29 -2.38 -0.08 0.00 -1.01 0.00 0.00 31.44 28.27 1cpd n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1cpd n LYS 12 N 4.05 0.91 -1.01 3.49 4.81 -1.26 -2.24 118.16 126.91 1cpd n LYS 12 Ca 0.20 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1cpd n LYS 12 Cb 0.24 -2.10 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 1cpd n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cpd n GLY 13 N 5.38 0.41 3.91 3.14 0.00 -1.26 -5.03 105.19 111.74 1cpd n GLY 13 Ca 0.35 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1cpd n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpd s ARG 14 N -0.53 3.45 0.00 1.61 1.81 -0.95 -5.09 118.95 119.25 1cpd s ARG 14 Ca 0.00 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1cpd s ARG 14 Cb 0.00 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 1cpd s ARG 14 CO 0.00 0.64 0.00 -1.13 -0.68 0.00 0.00 175.30 174.13 1cpd n SER 15 N 0.61 1.15 -0.13 0.23 3.41 -1.26 -4.88 113.62 112.75 1cpd n SER 15 Ca -0.08 -0.59 -0.06 0.00 -0.26 0.00 0.00 58.87 57.88 1cpd n SER 15 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1cpd n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cpd h TYR 16 N 0.59 -0.72 -0.84 7.33 3.20 -2.00 -0.18 116.97 124.35 1cpd h TYR 16 Ca 0.00 0.05 0.16 0.00 3.14 0.00 0.00 58.73 62.08 1cpd h TYR 16 Cb 0.00 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 1cpd h TYR 16 CO 0.00 -0.34 0.55 0.93 -1.64 0.00 0.00 178.16 177.66 1cpd h GLU 17 N -0.19 0.53 -0.66 1.82 3.07 -1.98 0.23 114.58 117.40 1cpd h GLU 17 Ca 0.19 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1cpd h GLU 17 Cb 0.50 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1cpd h GLU 17 CO -0.53 0.35 0.16 -0.44 -1.40 0.00 0.00 179.01 177.14 1cpd h ASP 18 N 0.55 1.00 -0.23 1.42 3.32 -1.41 -2.63 116.42 118.44 1cpd h ASP 18 Ca 0.42 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1cpd h ASP 18 Cb 0.84 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1cpd h ASP 18 CO -0.17 0.96 -0.65 -0.26 -1.72 0.00 0.00 179.24 177.40 1cpd h PHE 19 N 1.00 1.10 -0.89 4.55 0.04 -0.84 -2.89 116.94 119.00 1cpd h PHE 19 Ca 0.21 -0.43 0.11 0.00 2.80 0.00 0.00 57.97 60.66 1cpd h PHE 19 Cb 0.36 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.26 1cpd h PHE 19 CO 0.03 1.27 0.57 0.37 -0.60 0.00 0.00 178.31 179.95 1cpd h GLN 20 N 0.61 0.78 -0.15 1.51 5.75 -0.46 0.72 115.11 123.88 1cpd h GLN 20 Ca -0.02 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 1cpd h GLN 20 Cb 1.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1cpd h GLN 20 CO 0.14 0.52 -0.53 0.87 -2.65 0.00 0.00 178.83 177.18 1cpd h LYS 21 N 0.81 0.42 -0.45 1.69 1.57 -1.34 0.48 116.57 119.75 1cpd h LYS 21 Ca 0.43 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1cpd h LYS 21 Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1cpd h LYS 21 CO -0.19 0.85 -0.26 0.28 -0.57 0.00 0.00 179.45 179.56 1cpd h VAL 22 N 0.33 1.27 0.08 0.50 2.07 -0.73 -1.84 116.25 117.93 1cpd h VAL 22 Ca 0.01 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1cpd h VAL 22 Cb 1.04 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1cpd h VAL 22 CO 0.09 0.48 -0.19 0.22 0.02 0.00 0.00 177.57 178.20 1cpd h TYR 23 N 0.81 -0.50 -0.82 1.57 5.03 -0.89 -1.48 116.97 120.69 1cpd h TYR 23 Ca 0.10 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.51 1cpd h TYR 23 Cb 0.83 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 39.25 1cpd h TYR 23 CO 0.05 -0.28 0.47 -0.91 -1.32 0.00 0.00 178.16 176.17 1cpd h ASN 24 N -0.35 0.68 -0.09 -2.11 -0.26 -0.82 0.65 115.58 113.27 1cpd h ASN 24 Ca 0.03 0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1cpd h ASN 24 Cb 0.38 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1cpd h ASN 24 CO -0.12 0.39 -0.09 0.00 -1.06 0.00 0.00 177.43 176.55 1cpd h ALA 25 N 1.45 1.41 -0.12 -0.83 0.00 -0.65 0.52 119.26 121.03 1cpd h ALA 25 Ca 0.39 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1cpd h ALA 25 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cpd h ALA 25 CO -0.24 0.41 -0.39 0.82 0.00 0.00 0.00 179.25 179.85 1cpd h ILE 26 N 0.36 1.37 -0.97 0.00 2.04 -0.21 -2.62 117.51 117.49 1cpd h ILE 26 Ca 0.07 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.25 1cpd h ILE 26 Cb 0.39 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1cpd h ILE 26 CO 0.02 0.51 0.64 0.00 0.00 0.00 0.00 178.15 179.32 1cpd h ALA 27 N 0.50 1.24 -0.29 1.87 0.00 -0.65 0.11 119.26 122.05 1cpd h ALA 27 Ca -0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1cpd h ALA 27 Cb 1.02 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1cpd h ALA 27 CO 0.08 0.59 -0.32 -0.07 0.00 0.00 0.00 179.25 179.54 1cpd h LEU 28 N 1.29 0.64 -0.80 0.00 3.38 -0.90 -2.61 115.31 116.32 1cpd h LEU 28 Ca 0.36 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1cpd h LEU 28 Cb -0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1cpd h LEU 28 CO -0.09 0.92 -0.51 0.50 0.09 0.00 0.00 178.44 179.34 1cpd h LYS 29 N 0.53 0.00 -0.60 1.13 3.64 -1.01 -2.26 116.57 118.00 1cpd h LYS 29 Ca 0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1cpd h LYS 29 Cb 0.80 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1cpd h LYS 29 CO 0.07 0.51 0.16 -0.07 -2.27 0.00 0.00 179.45 177.85 1cpd h LEU 30 N 0.00 0.86 -0.69 5.20 3.38 -0.62 -0.12 115.31 123.32 1cpd h LEU 30 Ca -0.01 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1cpd h LEU 30 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1cpd h LEU 30 CO 0.07 0.83 -0.34 -0.09 0.09 0.00 0.00 178.44 178.99 1cpd h ARG 31 N 0.89 0.63 0.15 1.13 2.43 -1.30 -3.22 114.38 115.08 1cpd h ARG 31 Ca 0.19 -0.29 -0.31 0.00 -0.81 0.00 0.00 59.98 58.77 1cpd h ARG 31 Cb 0.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1cpd h ARG 31 CO -0.00 0.88 -1.47 1.49 -1.51 0.00 0.00 179.97 179.36 1cpd h GLU 32 N 0.53 0.31 -2.13 0.20 4.81 -1.07 -3.34 114.58 113.90 1cpd h GLU 32 Ca 0.06 -0.53 -0.56 0.00 -0.13 0.00 0.00 59.36 58.19 1cpd h GLU 32 Cb 0.84 0.20 -0.17 0.00 0.63 0.00 0.00 28.75 30.25 1cpd h GLU 32 CO 0.07 1.21 0.82 -0.25 -0.73 0.00 0.00 179.01 180.14 1cpd n ASP 33 N -3.53 6.83 0.00 1.04 9.92 -0.09 -4.71 116.55 126.02 1cpd n ASP 33 Ca -0.15 -3.22 0.05 0.00 -0.53 0.00 0.00 54.79 50.94 1cpd n ASP 33 Cb 1.05 -1.25 0.32 0.00 -0.64 0.00 0.00 41.12 40.60 1cpd n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1cpd n ASP 34 N 0.98 0.00 0.02 -2.24 5.75 -1.25 -3.85 116.55 115.96 1cpd n ASP 34 Ca 0.52 -1.31 -0.04 0.00 -0.01 0.00 0.00 54.79 53.95 1cpd n ASP 34 Cb 0.48 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1cpd n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1cpd h GLU 35 N 0.00 0.00 -5.73 0.11 3.07 -1.91 -3.36 114.58 106.75 1cpd h GLU 35 Ca 0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 1cpd h GLU 35 Cb 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 27.99 1cpd h GLU 35 CO 0.00 0.40 -0.23 0.98 -1.40 0.00 0.00 179.01 178.76 1cpd n TYR 36 N -2.98 0.06 -3.76 4.33 9.36 -1.25 0.43 117.16 123.34 1cpd n TYR 36 Ca -0.12 0.97 -0.30 0.00 3.32 0.00 0.00 57.90 61.78 1cpd n TYR 36 Cb 0.92 -1.93 0.03 0.00 -0.63 0.00 0.00 39.34 37.72 1cpd n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1cpd n ASP 37 N 1.68 -3.71 -3.64 2.98 -0.08 -1.26 -0.98 116.55 111.53 1cpd n ASP 37 Ca 0.18 -1.01 -0.20 0.00 -1.51 0.00 0.00 54.79 52.25 1cpd n ASP 37 Cb 0.16 -3.30 0.04 0.00 2.34 0.00 0.00 41.12 40.36 1cpd n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1cpd n ASN 38 N -2.77 -1.39 -0.08 1.67 3.02 -1.10 -2.28 115.26 112.33 1cpd n ASN 38 Ca -0.16 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.60 1cpd n ASN 38 Cb 0.62 -4.29 -0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1cpd n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1cpd n TYR 39 N -4.25 0.00 0.11 3.10 4.01 0.17 -4.88 117.16 115.41 1cpd n TYR 39 Ca -0.29 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.21 1cpd n TYR 39 Cb 0.67 -0.54 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 1cpd n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1cpd h ILE 40 N 0.00 1.24 0.00 -0.72 2.04 -0.62 -3.47 117.51 115.98 1cpd h ILE 40 Ca -0.02 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1cpd h ILE 40 Cb 0.19 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1cpd h ILE 40 CO 0.03 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1cpd n GLY 41 N 1.74 0.63 0.30 5.37 0.00 -0.54 -4.70 105.19 107.99 1cpd n GLY 41 Ca -0.18 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 43.97 1cpd n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cpd n TYR 42 N 0.74 0.00 -0.09 1.61 4.02 -1.26 -4.48 117.16 117.70 1cpd n TYR 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1cpd n TYR 42 Cb 0.00 -0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 39.17 1cpd n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1cpd h GLY 43 N 4.91 -0.78 0.46 2.72 0.00 -1.94 -2.35 103.07 106.09 1cpd h GLY 43 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 47.33 48.00 1cpd h GLY 43 CO 0.00 -0.18 0.05 -2.55 0.00 0.00 0.00 176.54 173.86 1cpd h PRO 44 N -0.42 0.16 -0.31 4.80 0.11 -1.90 -1.42 132.00 133.02 1cpd h PRO 44 Ca 0.09 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.22 1cpd h PRO 44 Cb 0.61 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1cpd h PRO 44 CO -0.53 0.11 0.21 -0.24 -0.21 0.00 0.00 178.00 177.34 1cpd h VAL 45 N 0.17 1.02 -0.21 3.15 3.04 -1.76 -1.01 116.25 120.65 1cpd h VAL 45 Ca 0.19 -0.11 -0.21 0.00 -1.01 0.00 0.00 66.70 65.57 1cpd h VAL 45 Cb 0.25 0.67 0.01 0.00 -2.01 0.00 0.00 31.29 30.20 1cpd h VAL 45 CO -0.28 0.06 -0.68 -0.07 -1.01 0.00 0.00 177.57 175.59 1cpd h LEU 46 N 0.32 0.94 -0.18 3.16 3.38 -0.85 0.38 115.31 122.47 1cpd h LEU 46 Ca 0.12 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1cpd h LEU 46 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1cpd h LEU 46 CO -0.03 1.37 0.07 0.58 0.09 0.00 0.00 178.44 180.52 1cpd h VAL 47 N 0.59 0.98 -0.38 1.22 2.07 -0.65 -0.44 116.25 119.64 1cpd h VAL 47 Ca -0.02 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1cpd h VAL 47 Cb 1.29 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1cpd h VAL 47 CO 0.14 0.03 0.04 -0.09 0.02 0.00 0.00 177.57 177.72 1cpd h ARG 48 N 0.17 0.57 -0.27 1.57 2.43 -1.07 -2.56 114.38 115.22 1cpd h ARG 48 Ca 0.08 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1cpd h ARG 48 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1cpd h ARG 48 CO -0.07 0.57 0.01 1.25 -1.51 0.00 0.00 179.97 180.22 1cpd h LEU 49 N 0.56 0.46 -1.75 3.80 5.85 -0.17 -1.85 115.31 122.21 1cpd h LEU 49 Ca 0.12 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1cpd h LEU 49 Cb 0.29 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1cpd h LEU 49 CO 0.00 0.65 0.19 0.00 -0.34 0.00 0.00 178.44 178.95 1cpd h ALA 50 N 0.83 1.87 -0.04 1.25 0.00 -0.84 -2.10 119.26 120.22 1cpd h ALA 50 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1cpd h ALA 50 Cb 0.41 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cpd h ALA 50 CO 0.01 0.10 -0.49 2.35 0.00 0.00 0.00 179.25 181.23 1cpd h TRP 51 N 0.33 0.58 -0.32 0.00 2.91 -1.36 -3.08 115.95 115.01 1cpd h TRP 51 Ca 0.11 -0.28 -0.04 0.00 1.13 0.00 0.00 58.89 59.81 1cpd h TRP 51 Cb 0.05 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.61 1cpd h TRP 51 CO -0.00 1.07 0.01 0.45 -1.03 0.00 0.00 178.44 178.94 1cpd h HIS 52 N -0.08 0.50 0.00 2.65 3.86 -0.79 0.22 115.15 121.51 1cpd h HIS 52 Ca -0.05 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 1cpd h HIS 52 Cb 1.17 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1cpd h HIS 52 CO 0.14 0.49 -0.49 -0.84 0.86 0.00 0.00 177.93 178.09 1cpd h ILE 53 N 0.47 0.87 0.00 2.45 -0.00 -1.51 -3.30 117.51 116.49 1cpd h ILE 53 Ca 0.10 -2.13 -0.18 0.00 -0.00 0.00 0.00 64.86 62.65 1cpd h ILE 53 Cb 0.30 2.36 -0.03 0.00 -0.00 0.00 0.00 36.82 39.45 1cpd h ILE 53 CO 0.01 0.48 -1.39 0.28 -0.00 0.00 0.00 178.15 177.52 1cpd h SER 54 N 0.00 0.00 0.19 2.16 0.02 -1.29 -3.17 113.55 111.46 1cpd h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cpd h SER 54 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1cpd h SER 54 CO 0.06 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 1cpd n GLY 55 N 1.40 -0.89 0.45 -3.77 0.00 0.72 -2.99 105.19 100.12 1cpd n GLY 55 Ca -0.10 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1cpd n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpd n THR 56 N -1.12 0.09 -1.96 2.61 -2.24 -1.26 -4.68 114.28 105.73 1cpd n THR 56 Ca 0.15 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1cpd n THR 56 Cb 0.13 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1cpd n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cpd s TRP 57 N -1.91 2.45 -0.24 4.78 -0.00 -1.16 -4.12 118.94 118.74 1cpd s TRP 57 Ca 0.35 1.45 0.01 0.00 -0.00 0.00 0.00 56.10 57.92 1cpd s TRP 57 Cb 0.19 -3.62 0.06 0.00 -0.00 0.00 0.00 33.47 30.11 1cpd s TRP 57 CO 0.30 -2.39 -0.05 0.34 -0.00 0.00 0.00 176.95 175.15 1cpd s ASP 58 N -1.22 3.88 0.35 5.86 -1.08 -0.27 -4.70 116.67 119.48 1cpd s ASP 58 Ca 0.71 -1.21 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 1cpd s ASP 58 Cb -0.35 -1.18 1.23 0.00 -1.46 0.00 0.00 42.92 41.16 1cpd s ASP 58 CO 0.41 -0.24 1.76 0.07 0.52 0.00 0.00 175.17 177.69 1cpd h LYS 59 N 7.95 0.00 -0.00 4.34 2.10 -1.79 0.16 116.57 129.32 1cpd h LYS 59 Ca -0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1cpd h LYS 59 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1cpd h LYS 59 CO 0.42 0.00 -0.02 0.45 -2.00 0.00 0.00 179.45 178.30 1cpd h HIS 60 N 0.00 0.03 -0.16 0.07 3.86 -1.95 -3.37 115.15 113.63 1cpd h HIS 60 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1cpd h HIS 60 Cb 0.16 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1cpd h HIS 60 CO 0.00 0.67 0.00 -0.40 0.86 0.00 0.00 177.93 179.06 1cpd n ASP 61 N -4.76 2.29 -0.14 2.45 5.68 -1.15 -5.00 116.55 115.92 1cpd n ASP 61 Ca -0.09 -1.79 -0.02 0.00 -0.50 0.00 0.00 54.79 52.40 1cpd n ASP 61 Cb 0.33 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.20 1cpd n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cpd n ASN 62 N 0.22 -5.03 -4.88 -1.12 5.15 0.55 -3.99 115.26 106.16 1cpd n ASN 62 Ca 0.06 0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.80 1cpd n ASN 62 Cb 0.31 -2.70 0.01 0.00 -0.53 0.00 0.00 39.78 36.87 1cpd n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1cpd s THR 63 N -1.47 4.79 0.00 -0.44 -4.23 -1.24 -4.84 115.64 108.21 1cpd s THR 63 Ca 0.00 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1cpd s THR 63 Cb 0.00 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1cpd s THR 63 CO 0.00 -1.03 0.00 0.61 -0.54 0.00 0.00 174.62 173.66 1cpd n GLY 64 N -2.54 -1.05 0.00 3.99 0.00 -1.26 -1.11 105.19 103.21 1cpd n GLY 64 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1cpd n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpd n GLY 65 N 0.00 0.05 0.25 -0.02 0.00 -1.26 -4.61 105.19 99.60 1cpd n GLY 65 Ca 0.00 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1cpd n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cpd h SER 66 N 0.00 0.00 -0.42 1.61 4.64 -1.76 -3.40 113.55 114.23 1cpd h SER 66 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1cpd h SER 66 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1cpd h SER 66 CO 0.00 0.17 -0.25 0.00 -0.87 0.00 0.00 176.83 175.88 1cpd n TYR 67 N -3.67 -0.18 1.44 4.77 4.19 -1.26 -2.93 117.16 119.52 1cpd n TYR 67 Ca -0.01 0.52 0.14 0.00 3.31 0.00 0.00 57.90 61.86 1cpd n TYR 67 Cb 0.29 -0.47 0.62 0.00 0.49 0.00 0.00 39.34 40.26 1cpd n TYR 67 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1cpd n GLY 68 N -1.10 -0.87 3.28 2.98 0.00 -1.25 -2.07 105.19 106.17 1cpd n GLY 68 Ca 0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1cpd n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpd n GLY 69 N 1.26 -0.50 0.15 -0.02 0.00 -1.15 -2.21 105.19 102.72 1cpd n GLY 69 Ca 0.15 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1cpd n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cpd h THR 70 N -1.29 0.00 -0.79 2.61 1.35 -1.87 -2.60 112.91 110.32 1cpd h THR 70 Ca -0.49 -0.17 0.20 0.00 -0.55 0.00 0.00 66.41 65.41 1cpd h THR 70 Cb 1.33 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.54 1cpd h THR 70 CO 0.56 0.00 0.55 0.22 -0.25 0.00 0.00 175.52 176.60 1cpd h TYR 71 N 0.00 0.24 0.00 4.73 3.20 -1.93 0.18 116.97 123.40 1cpd h TYR 71 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1cpd h TYR 71 Cb 0.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1cpd h TYR 71 CO 0.00 0.07 0.08 0.07 -1.64 0.00 0.00 178.16 176.75 1cpd h ARG 72 N 0.19 0.00 -6.49 1.82 0.11 -1.85 -3.23 114.38 104.94 1cpd h ARG 72 Ca 0.39 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.94 1cpd h ARG 72 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 1cpd h ARG 72 CO -0.08 0.00 -0.10 -0.06 0.10 0.00 0.00 179.97 179.83 1cpd s PHE 73 N -3.82 3.44 0.14 4.08 0.08 0.64 -4.94 117.98 117.60 1cpd s PHE 73 Ca -0.03 0.82 -0.31 0.00 0.12 0.00 0.00 56.93 57.53 1cpd s PHE 73 Cb 0.09 -2.23 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 1cpd s PHE 73 CO 0.28 0.21 1.55 0.87 -0.10 0.00 0.00 175.22 178.03 1cpd h LYS 74 N 2.18 -0.31 -0.51 0.44 1.57 -1.86 -0.23 116.57 117.84 1cpd h LYS 74 Ca -0.47 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1cpd h LYS 74 Cb 1.18 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 1cpd h LYS 74 CO 0.68 -0.21 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.65 1cpd h LYS 75 N -0.32 -0.21 -0.06 3.15 3.64 -1.92 0.16 116.57 121.00 1cpd h LYS 75 Ca 0.11 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1cpd h LYS 75 Cb 0.57 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1cpd h LYS 75 CO -0.64 -0.14 -0.42 1.49 -2.27 0.00 0.00 179.45 177.46 1cpd h GLU 76 N -0.22 0.13 -0.12 1.90 4.81 -1.78 -2.92 114.58 116.37 1cpd h GLU 76 Ca 0.09 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1cpd h GLU 76 Cb 0.45 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1cpd h GLU 76 CO -0.60 0.53 -0.45 0.35 -0.73 0.00 0.00 179.01 178.11 1cpd h PHE 77 N 0.11 0.35 -0.51 0.92 3.57 -0.26 -2.97 116.94 118.15 1cpd h PHE 77 Ca 0.01 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1cpd h PHE 77 Cb 0.79 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1cpd h PHE 77 CO 0.01 0.70 0.00 0.09 -2.23 0.00 0.00 178.31 176.87 1cpd n ASN 78 N -3.99 2.76 -4.70 0.41 3.02 0.50 -4.85 115.26 108.41 1cpd n ASN 78 Ca -0.02 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.12 1cpd n ASN 78 Cb 0.52 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1cpd n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cpd s ASP 79 N -1.02 6.62 0.36 6.41 -1.08 -1.12 -4.86 116.67 121.99 1cpd s ASP 79 Ca 0.35 2.50 0.11 0.00 -0.52 0.00 0.00 52.55 54.99 1cpd s ASP 79 Cb 0.18 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 39.95 1cpd s ASP 79 CO 0.24 -0.84 1.85 -0.65 0.52 0.00 0.00 175.17 176.28 1cpd h PRO 80 N 7.67 0.61 0.00 4.34 0.11 -1.91 0.90 132.00 143.72 1cpd h PRO 80 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1cpd h PRO 80 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1cpd h PRO 80 CO 0.92 0.40 0.00 0.43 -0.21 0.00 0.00 178.00 179.54 1cpd n SER 81 N -4.58 0.05 -0.97 -2.05 7.64 -1.26 -1.70 113.62 110.74 1cpd n SER 81 Ca 0.19 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.70 1cpd n SER 81 Cb 0.56 -0.52 0.12 0.00 -1.01 0.00 0.00 64.21 63.35 1cpd n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cpd n ASN 82 N -1.55 3.04 -4.63 6.43 3.02 0.31 -4.99 115.26 116.89 1cpd n ASN 82 Ca 0.03 -1.97 -0.47 0.00 -0.03 0.00 0.00 54.58 52.14 1cpd n ASN 82 Cb 0.14 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1cpd n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cpd n ALA 83 N 1.34 0.35 0.00 5.41 0.00 -0.69 -1.09 120.51 125.83 1cpd n ALA 83 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1cpd n ALA 83 Cb 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1cpd n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cpd n GLY 84 N 2.24 2.59 0.23 0.00 0.00 -1.26 -4.85 105.19 104.15 1cpd n GLY 84 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1cpd n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cpd h LEU 85 N 0.00 0.00 -2.43 0.99 3.38 -1.50 -3.09 115.31 112.66 1cpd h LEU 85 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cpd h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1cpd h LEU 85 CO 0.00 0.00 0.11 0.06 0.09 0.00 0.00 178.44 178.70 1cpd h GLN 86 N 0.00 0.00 -0.05 1.13 -0.00 -1.91 0.25 115.11 114.53 1cpd h GLN 86 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.51 1cpd h GLN 86 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.05 1cpd h GLN 86 CO 0.00 0.00 -0.59 -0.91 -0.00 0.00 0.00 178.83 177.33 1cpd h ASN 87 N 0.00 0.19 0.07 0.06 2.35 -1.95 -0.95 115.58 115.36 1cpd h ASN 87 Ca 0.04 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.51 1cpd h ASN 87 Cb 0.25 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1cpd h ASN 87 CO -0.00 0.74 -0.60 1.23 -1.65 0.00 0.00 177.43 177.15 1cpd h GLY 88 N 1.55 0.58 0.98 2.83 0.00 -0.74 -1.98 103.07 106.30 1cpd h GLY 88 Ca -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1cpd h GLY 88 CO 0.09 0.64 -0.40 -2.75 0.00 0.00 0.00 176.54 174.12 1cpd h PHE 89 N 0.40 -1.04 -0.83 5.60 3.57 -1.11 -1.28 116.94 122.25 1cpd h PHE 89 Ca -0.00 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.65 1cpd h PHE 89 Cb 1.16 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 40.19 1cpd h PHE 89 CO 0.05 -0.63 0.55 0.87 -2.23 0.00 0.00 178.31 176.92 1cpd h LYS 90 N -1.09 0.37 -0.42 1.11 6.56 -1.17 0.30 116.57 122.24 1cpd h LYS 90 Ca -0.11 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.34 1cpd h LYS 90 Cb 0.84 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 1cpd h LYS 90 CO 0.17 0.25 -0.22 0.35 -2.06 0.00 0.00 179.45 177.93 1cpd h PHE 91 N 0.38 0.95 0.00 -1.35 3.04 -0.77 -3.27 116.94 115.92 1cpd h PHE 91 Ca 0.42 -0.22 -0.12 0.00 3.98 0.00 0.00 57.97 62.03 1cpd h PHE 91 Cb 1.05 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1cpd h PHE 91 CO -0.00 0.97 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.61 1cpd h LEU 92 N 0.72 0.00 -0.86 0.59 3.38 0.71 -3.38 115.31 116.48 1cpd h LEU 92 Ca 0.10 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1cpd h LEU 92 Cb 0.75 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 1cpd h LEU 92 CO 0.06 0.58 -0.30 -0.08 0.09 0.00 0.00 178.44 178.79 1cpd h GLU 93 N 0.00 -0.03 0.00 1.13 4.81 -1.39 0.28 114.58 119.38 1cpd h GLU 93 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1cpd h GLU 93 Cb 1.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1cpd h GLU 93 CO 0.08 -0.02 -0.19 -1.00 -0.73 0.00 0.00 179.01 177.15 1cpd h PRO 94 N -0.04 0.00 -0.21 0.92 0.13 -1.77 -1.20 132.00 129.83 1cpd h PRO 94 Ca 0.36 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.28 1cpd h PRO 94 Cb 0.61 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.75 1cpd h PRO 94 CO -0.89 0.19 -0.68 0.82 -0.23 0.00 0.00 178.00 177.21 1cpd h ILE 95 N 0.00 1.28 -0.77 -3.56 1.08 -0.75 -1.68 117.51 113.10 1cpd h ILE 95 Ca -0.00 -1.87 -0.03 0.00 -0.39 0.00 0.00 64.86 62.57 1cpd h ILE 95 Cb 0.37 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 1cpd h ILE 95 CO 0.02 0.60 0.36 -0.74 -0.69 0.00 0.00 178.15 177.70 1cpd h HIS 96 N 0.59 1.11 -0.02 1.37 2.76 -0.27 -0.39 115.15 120.30 1cpd h HIS 96 Ca -0.03 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 1cpd h HIS 96 Cb 1.30 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1cpd h HIS 96 CO 0.08 0.81 -0.14 0.87 -1.30 0.00 0.00 177.93 178.26 1cpd h LYS 97 N 1.10 0.03 0.00 5.26 6.56 -1.06 -0.84 116.57 127.62 1cpd h LYS 97 Ca 0.26 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.77 1cpd h LYS 97 Cb 0.13 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1cpd h LYS 97 CO -0.03 0.17 -0.59 1.49 -2.06 0.00 0.00 179.45 178.43 1cpd h GLU 98 N 0.03 0.00 -2.32 3.15 4.81 -0.16 -3.37 114.58 116.72 1cpd h GLU 98 Ca 0.01 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.65 1cpd h GLU 98 Cb 0.27 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.25 1cpd h GLU 98 CO 0.02 0.31 -0.89 1.19 -0.73 0.00 0.00 179.01 178.91 1cpd n PHE 99 N -3.09 0.75 0.52 0.92 3.01 -0.41 -4.94 117.46 114.22 1cpd n PHE 99 Ca 0.00 -3.71 0.07 0.00 1.01 0.00 0.00 57.45 54.83 1cpd n PHE 99 Cb 0.69 -0.24 0.31 0.00 -0.01 0.00 0.00 39.48 40.23 1cpd n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1cpd n PRO 100 N 1.84 0.03 0.00 -1.08 -0.04 -0.53 -2.83 135.00 132.40 1cpd n PRO 100 Ca 0.25 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 1cpd n PRO 100 Cb 0.46 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.95 1cpd n PRO 100 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cpd n TRP 101 N -1.47 0.00 -2.76 0.54 4.27 -1.26 -4.84 117.44 111.92 1cpd n TRP 101 Ca 0.04 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.25 1cpd n TRP 101 Cb 0.16 -0.13 -0.06 0.00 -1.36 0.00 0.00 31.31 29.92 1cpd n TRP 101 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1cpd s ILE 102 N -2.40 4.21 0.89 -1.67 2.07 -1.13 -4.92 121.20 118.25 1cpd s ILE 102 Ca 0.29 2.06 -0.12 0.00 -1.41 0.00 0.00 60.65 61.47 1cpd s ILE 102 Cb 0.20 -4.32 0.13 0.00 0.13 0.00 0.00 42.46 38.60 1cpd s ILE 102 CO 0.47 0.45 1.12 -0.94 -1.91 0.00 0.00 174.94 174.13 1cpd s SER 103 N -0.84 3.65 0.02 4.50 1.04 -1.26 -4.86 113.70 115.95 1cpd s SER 103 Ca 0.42 1.10 -0.24 0.00 0.48 0.00 0.00 55.95 57.72 1cpd s SER 103 Cb -0.25 -1.73 -0.17 0.00 0.10 0.00 0.00 66.02 63.97 1cpd s SER 103 CO 0.31 -2.48 1.42 0.28 0.98 0.00 0.00 173.24 173.75 1cpd h SER 104 N -1.44 0.10 -0.09 7.02 0.02 -1.92 -1.57 113.55 115.67 1cpd h SER 104 Ca -0.50 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.08 1cpd h SER 104 Cb 1.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1cpd h SER 104 CO 0.60 0.43 0.03 1.23 -1.14 0.00 0.00 176.83 177.98 1cpd h GLY 105 N -0.23 0.21 0.75 -3.77 0.00 -1.80 -0.07 103.07 98.16 1cpd h GLY 105 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1cpd h GLY 105 CO 0.00 0.09 -0.04 -0.55 0.00 0.00 0.00 176.54 176.04 1cpd h ASP 106 N 0.20 0.28 0.18 0.19 3.32 -1.79 -2.73 116.42 116.07 1cpd h ASP 106 Ca 0.05 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1cpd h ASP 106 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1cpd h ASP 106 CO -0.00 0.60 -0.17 0.25 -1.72 0.00 0.00 179.24 178.19 1cpd h LEU 107 N -0.04 -0.46 -1.11 1.55 5.85 -0.42 -0.74 115.31 119.94 1cpd h LEU 107 Ca 0.03 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1cpd h LEU 107 Cb 0.48 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1cpd h LEU 107 CO 0.02 -0.26 0.60 -0.26 -0.34 0.00 0.00 178.44 178.20 1cpd h PHE 108 N -0.38 1.11 -0.01 1.25 0.04 -1.13 -1.76 116.94 116.05 1cpd h PHE 108 Ca 0.00 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 1cpd h PHE 108 Cb 0.36 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1cpd h PHE 108 CO -0.14 0.62 -0.91 0.66 -0.60 0.00 0.00 178.31 177.94 1cpd h SER 109 N 1.12 0.50 0.54 2.17 4.64 -1.31 -3.21 113.55 117.99 1cpd h SER 109 Ca 0.38 -0.39 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1cpd h SER 109 Cb 0.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1cpd h SER 109 CO -0.13 1.18 -0.47 0.25 -0.87 0.00 0.00 176.83 176.80 1cpd h LEU 110 N 0.22 0.00 -0.64 5.97 5.85 -0.84 -2.77 115.31 123.11 1cpd h LEU 110 Ca -0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1cpd h LEU 110 Cb 1.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1cpd h LEU 110 CO 0.16 0.47 0.22 1.23 -0.34 0.00 0.00 178.44 180.17 1cpd h GLY 111 N 1.54 1.05 0.95 3.75 0.00 -1.33 0.72 103.07 109.74 1cpd h GLY 111 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1cpd h GLY 111 CO 0.06 0.56 0.17 -1.33 0.00 0.00 0.00 176.54 176.01 1cpd h GLY 112 N 0.91 0.57 0.99 4.60 0.00 -1.57 0.96 103.07 109.52 1cpd h GLY 112 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1cpd h GLY 112 CO -0.01 0.27 0.31 -2.08 0.00 0.00 0.00 176.54 175.03 1cpd h VAL 113 N 0.46 1.16 -0.05 4.60 2.07 -1.21 -1.38 116.25 121.91 1cpd h VAL 113 Ca 0.13 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1cpd h VAL 113 Cb 0.13 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1cpd h VAL 113 CO -0.02 0.17 0.03 0.74 0.02 0.00 0.00 177.57 178.51 1cpd h THR 114 N 0.70 1.07 -0.16 2.57 2.02 -0.67 -2.11 112.91 116.33 1cpd h THR 114 Ca 0.19 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1cpd h THR 114 Cb 0.00 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1cpd h THR 114 CO -0.03 0.05 -0.24 0.00 0.37 0.00 0.00 175.52 175.67 1cpd h ALA 115 N 0.95 -0.19 -0.31 6.16 0.00 -0.62 0.15 119.26 125.39 1cpd h ALA 115 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1cpd h ALA 115 Cb 0.07 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1cpd h ALA 115 CO -0.00 -0.69 0.15 0.28 0.00 0.00 0.00 179.25 178.99 1cpd h VAL 116 N -0.29 0.98 -0.37 0.00 2.07 -1.10 -1.43 116.25 116.12 1cpd h VAL 116 Ca 0.11 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1cpd h VAL 116 Cb 0.45 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1cpd h VAL 116 CO -0.32 0.06 -0.25 1.56 0.02 0.00 0.00 177.57 178.63 1cpd h GLN 117 N 0.32 0.75 0.00 1.57 4.20 -1.18 0.69 115.11 121.47 1cpd h GLN 117 Ca 0.13 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1cpd h GLN 117 Cb 0.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1cpd h GLN 117 CO -0.09 0.93 0.00 0.93 -0.67 0.00 0.00 178.83 179.92 1cpd h GLU 118 N 0.65 0.00 -0.76 1.46 4.39 -0.40 -2.81 114.58 117.11 1cpd h GLU 118 Ca 0.09 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1cpd h GLU 118 Cb 0.76 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 1cpd h GLU 118 CO 0.06 0.00 0.12 -1.33 -1.16 0.00 0.00 179.01 176.70 1cpd n MET 119 N -3.08 3.45 -1.48 2.33 2.81 -0.56 -4.86 117.12 115.72 1cpd n MET 119 Ca 0.01 -2.34 -0.09 0.00 -1.81 0.00 0.00 57.70 53.46 1cpd n MET 119 Cb 0.35 -2.03 -0.03 0.00 -0.71 0.00 0.00 33.22 30.79 1cpd n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1cpd n GLN 120 N 0.17 -0.68 0.00 0.03 6.02 -1.06 -0.05 117.38 121.81 1cpd n GLN 120 Ca 0.27 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 1cpd n GLN 120 Cb 1.07 -4.67 0.00 0.00 1.02 0.00 0.00 30.24 27.66 1cpd n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpd n GLY 121 N -1.64 -1.31 3.90 1.08 0.00 0.24 -4.72 105.19 102.74 1cpd n GLY 121 Ca -0.10 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1cpd n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpd s PRO 122 N -1.90 2.28 0.25 1.61 0.04 -1.26 -4.69 135.00 131.32 1cpd s PRO 122 Ca 0.00 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 1cpd s PRO 122 Cb 0.00 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1cpd s PRO 122 CO 0.00 -1.35 1.03 0.15 0.04 0.00 0.00 177.00 176.88 1cpd s LYS 123 N -5.44 4.72 -0.29 4.56 -0.14 -1.26 -4.38 119.74 117.51 1cpd s LYS 123 Ca 0.60 1.66 -0.01 0.00 -1.36 0.00 0.00 55.97 56.86 1cpd s LYS 123 Cb -0.11 -3.24 0.05 0.00 -1.68 0.00 0.00 37.83 32.85 1cpd s LYS 123 CO 0.49 0.32 -0.02 0.42 -0.76 0.00 0.00 175.35 175.79 1cpd s ILE 124 N -1.02 2.83 0.45 2.17 -1.09 -1.26 -4.88 121.20 118.40 1cpd s ILE 124 Ca 0.44 -1.44 -0.25 0.00 -2.23 0.00 0.00 60.65 57.17 1cpd s ILE 124 Cb -0.29 -2.64 -0.08 0.00 -1.58 0.00 0.00 42.46 37.88 1cpd s ILE 124 CO 0.36 -0.10 1.33 -2.84 -1.23 0.00 0.00 174.94 172.47 1cpd s PRO 125 N 1.22 3.69 0.01 2.79 0.02 -1.26 -4.79 135.00 136.68 1cpd s PRO 125 Ca -0.06 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.19 1cpd s PRO 125 Cb -0.20 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 1cpd s PRO 125 CO -0.02 -0.74 -0.07 -0.46 -0.33 0.00 0.00 177.00 175.39 1cpd s TRP 126 N -1.28 0.61 -0.05 6.54 -0.00 -0.21 -4.81 118.94 119.74 1cpd s TRP 126 Ca 0.62 -0.22 0.04 0.00 -0.00 0.00 0.00 56.10 56.54 1cpd s TRP 126 Cb -0.39 -0.38 -0.02 0.00 -0.00 0.00 0.00 33.47 32.67 1cpd s TRP 126 CO 0.49 -0.03 -0.16 1.03 -0.00 0.00 0.00 176.95 178.28 1cpd s ARG 127 N -0.56 2.52 0.56 5.86 0.52 -1.26 0.09 118.95 126.67 1cpd s ARG 127 Ca -0.01 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1cpd s ARG 127 Cb -0.05 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 33.13 1cpd s ARG 127 CO 0.00 0.57 0.78 0.00 0.02 0.00 0.00 175.30 176.68 1cpd n GLY 129 N -2.35 1.14 3.74 0.00 0.00 -1.26 -4.71 105.19 101.74 1cpd n GLY 129 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1cpd n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpd s ARG 130 N 0.00 2.69 -0.03 1.61 0.52 -1.26 -0.45 118.95 122.03 1cpd s ARG 130 Ca 0.00 1.86 0.02 0.00 -0.52 0.00 0.00 55.73 57.09 1cpd s ARG 130 Cb 0.00 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.59 1cpd s ARG 130 CO 0.00 -1.44 -0.07 0.08 0.02 0.00 0.00 175.30 173.90 1cpd s VAL 131 N -1.64 0.64 0.25 3.52 1.01 -0.88 -4.70 120.40 118.60 1cpd s VAL 131 Ca 0.78 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1cpd s VAL 131 Cb -0.32 -0.60 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 1cpd s VAL 131 CO 0.37 0.22 1.51 -1.81 0.00 0.00 0.00 175.10 175.40 1cpd s ASP 132 N 0.47 6.56 0.34 3.32 1.11 -1.26 -3.76 116.67 123.45 1cpd s ASP 132 Ca -0.07 2.75 0.09 0.00 0.18 0.00 0.00 52.55 55.50 1cpd s ASP 132 Cb -0.11 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.20 1cpd s ASP 132 CO 0.00 -0.79 -0.07 0.42 1.18 0.00 0.00 175.17 175.92 1cpd s THR 133 N 0.18 2.35 0.64 -1.27 -4.23 -0.94 -4.99 115.64 107.37 1cpd s THR 133 Ca 0.62 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.83 1cpd s THR 133 Cb -0.44 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 1cpd s THR 133 CO 0.43 -0.20 1.14 -2.16 -0.54 0.00 0.00 174.62 173.28 1cpd s PRO 134 N -3.64 2.86 0.58 3.99 0.05 -1.26 -4.82 135.00 132.76 1cpd s PRO 134 Ca 0.33 1.53 0.38 0.00 0.05 0.00 0.00 61.00 63.29 1cpd s PRO 134 Cb 0.02 -1.95 1.37 0.00 0.05 0.00 0.00 34.50 33.99 1cpd s PRO 134 CO 0.17 -1.23 1.52 1.49 0.05 0.00 0.00 177.00 179.00 1cpd h GLU 135 N 0.34 0.00 -0.00 4.56 4.81 -1.98 0.72 114.58 123.03 1cpd h GLU 135 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1cpd h GLU 135 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1cpd h GLU 135 CO 0.54 0.00 -0.08 -0.40 -0.73 0.00 0.00 179.01 178.34 1cpd n ASP 136 N -3.67 0.08 -0.49 1.04 5.75 -1.26 -3.02 116.55 114.98 1cpd n ASP 136 Ca 0.31 0.37 0.14 0.00 -0.01 0.00 0.00 54.79 55.59 1cpd n ASP 136 Cb 1.62 -0.38 0.51 0.00 -1.03 0.00 0.00 41.12 41.84 1cpd n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cpd n THR 137 N -1.50 0.02 -2.03 2.12 -2.24 0.25 -4.87 114.28 106.03 1cpd n THR 137 Ca 0.07 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1cpd n THR 137 Cb 0.34 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1cpd n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cpd s THR 138 N -1.98 3.61 0.58 4.28 2.01 -1.17 -4.67 115.64 118.30 1cpd s THR 138 Ca 0.37 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.92 1cpd s THR 138 Cb 0.21 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1cpd s THR 138 CO 0.33 -0.09 1.22 -2.16 -0.69 0.00 0.00 174.62 173.23 1cpd s PRO 139 N 4.14 3.02 0.78 4.92 0.04 -1.26 -5.00 135.00 141.63 1cpd s PRO 139 Ca 0.73 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1cpd s PRO 139 Cb -0.32 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1cpd s PRO 139 CO 0.29 -1.18 1.09 -0.51 0.04 0.00 0.00 177.00 176.73 1cpd s ASP 140 N -1.50 4.64 0.79 6.66 1.01 -1.26 -4.63 116.67 122.37 1cpd s ASP 140 Ca 0.76 1.39 -0.11 0.00 0.71 0.00 0.00 52.55 55.31 1cpd s ASP 140 Cb -0.32 -2.16 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1cpd s ASP 140 CO 0.35 -1.89 1.08 0.20 0.21 0.00 0.00 175.17 175.13 1cpd s ASN 141 N -3.85 4.49 0.00 0.27 0.01 -1.26 -4.23 114.94 110.37 1cpd s ASN 141 Ca 0.60 1.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 1cpd s ASN 141 Cb -0.15 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1cpd s ASN 141 CO 0.55 -2.01 0.00 0.61 -1.51 0.00 0.00 177.10 174.74 1cpd n GLY 142 N -1.60 0.98 0.11 0.66 0.00 -1.26 -4.98 105.19 99.10 1cpd n GLY 142 Ca 0.08 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1cpd n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cpd n ARG 143 N -2.04 0.30 -3.68 1.61 1.74 -1.26 -4.91 116.66 108.41 1cpd n ARG 143 Ca 0.00 -0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 56.52 1cpd n ARG 143 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1cpd n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cpd s LEU 144 N -2.86 4.34 0.53 0.55 1.43 -1.26 -4.76 118.68 116.65 1cpd s LEU 144 Ca 0.13 0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 1cpd s LEU 144 Cb 0.17 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 1cpd s LEU 144 CO 0.73 0.17 1.08 -2.16 0.23 0.00 0.00 176.35 176.40 1cpd s PRO 145 N -2.05 3.52 0.45 1.29 0.04 -1.26 -5.06 135.00 131.93 1cpd s PRO 145 Ca 0.33 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 1cpd s PRO 145 Cb -0.13 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1cpd s PRO 145 CO 0.19 -0.68 0.81 -0.51 0.04 0.00 0.00 177.00 176.85 1cpd s ASP 146 N -2.02 6.43 0.04 6.66 1.01 -1.26 -5.00 116.67 122.52 1cpd s ASP 146 Ca 0.69 1.12 0.23 0.00 0.71 0.00 0.00 52.55 55.30 1cpd s ASP 146 Cb -0.19 -2.32 0.15 0.00 1.01 0.00 0.00 42.92 41.56 1cpd s ASP 146 CO 0.26 -0.50 1.13 0.00 0.21 0.00 0.00 175.17 176.26 1cpd n ALA 147 N -1.72 3.54 -1.56 5.23 0.00 -1.26 -4.48 120.51 120.27 1cpd n ALA 147 Ca 0.02 -0.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 1cpd n ALA 147 Cb 0.54 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.04 1cpd n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cpd n ASP 148 N -1.82 7.45 -1.29 0.00 5.75 -1.26 -2.70 116.55 122.67 1cpd n ASP 148 Ca 0.03 -3.71 0.00 0.00 -0.01 0.00 0.00 54.79 51.10 1cpd n ASP 148 Cb 0.40 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1cpd n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cpd n LYS 149 N -0.52 1.27 -3.84 0.11 4.76 -1.26 -4.98 118.16 113.70 1cpd n LYS 149 Ca 0.56 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.76 1cpd n LYS 149 Cb 0.46 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.62 1cpd n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cpd n ASP 150 N -1.60 2.88 -0.30 4.39 5.75 -1.26 -3.38 116.55 123.03 1cpd n ASP 150 Ca 0.00 -2.65 0.20 0.00 -0.01 0.00 0.00 54.79 52.33 1cpd n ASP 150 Cb 0.00 0.19 0.48 0.00 -1.03 0.00 0.00 41.12 40.75 1cpd n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpd h ALA 151 N 1.05 2.13 -0.35 2.12 0.00 -1.91 -1.05 119.26 121.26 1cpd h ALA 151 Ca -0.31 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1cpd h ALA 151 Cb 0.98 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1cpd h ALA 151 CO 0.51 -0.48 -0.10 0.78 0.00 0.00 0.00 179.25 179.95 1cpd h GLY 152 N 0.46 0.74 0.79 0.00 0.00 -1.96 -1.42 103.07 101.68 1cpd h GLY 152 Ca 0.55 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1cpd h GLY 152 CO -0.26 0.57 -0.14 -1.82 0.00 0.00 0.00 176.54 174.89 1cpd h TYR 153 N 0.47 -0.36 -0.91 5.60 3.20 -1.67 -1.27 116.97 122.03 1cpd h TYR 153 Ca 0.09 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.06 1cpd h TYR 153 Cb 0.61 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 1cpd h TYR 153 CO 0.05 -0.21 0.55 0.28 -1.64 0.00 0.00 178.16 177.19 1cpd h VAL 154 N -0.29 0.94 -0.03 1.81 2.07 -1.07 0.12 116.25 119.80 1cpd h VAL 154 Ca 0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1cpd h VAL 154 Cb 0.29 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1cpd h VAL 154 CO -0.06 0.17 0.01 -0.09 0.02 0.00 0.00 177.57 177.62 1cpd h ARG 155 N 0.92 0.04 -0.24 1.57 2.43 -0.90 -2.20 114.38 116.00 1cpd h ARG 155 Ca 0.44 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 1cpd h ARG 155 Cb 0.37 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1cpd h ARG 155 CO -0.24 0.18 0.10 1.15 -1.51 0.00 0.00 179.97 179.66 1cpd h THR 156 N -0.11 1.16 0.05 0.20 2.02 -0.90 -2.84 112.91 112.48 1cpd h THR 156 Ca 0.01 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1cpd h THR 156 Cb 0.16 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1cpd h THR 156 CO -0.00 0.16 -0.05 0.15 0.37 0.00 0.00 175.52 176.15 1cpd h PHE 157 N 0.25 -0.12 0.00 3.16 3.57 -0.75 -2.89 116.94 120.17 1cpd h PHE 157 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1cpd h PHE 157 Cb 0.16 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1cpd h PHE 157 CO -0.01 -0.08 0.00 0.74 -2.23 0.00 0.00 178.31 176.73 1cpd h PHE 158 N -0.11 0.00 -0.04 0.41 0.04 -1.40 -0.99 116.94 114.86 1cpd h PHE 158 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1cpd h PHE 158 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1cpd h PHE 158 CO -0.10 0.00 -0.48 1.96 -0.60 0.00 0.00 178.31 179.09 1cpd h GLN 159 N 0.00 0.10 0.00 1.51 1.08 -1.27 0.78 115.11 117.30 1cpd h GLN 159 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1cpd h GLN 159 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1cpd h GLN 159 CO 0.00 0.56 0.00 -0.09 -0.95 0.00 0.00 178.83 178.35 1cpd h ARG 160 N 0.08 0.00 -0.35 1.46 2.43 -1.22 0.13 114.38 116.91 1cpd h ARG 160 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cpd h ARG 160 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1cpd h ARG 160 CO 0.07 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 1cpd n LEU 161 N -2.99 3.70 -2.42 3.80 4.77 -0.65 -2.47 117.00 120.75 1cpd n LEU 161 Ca -0.02 -2.56 -0.20 0.00 -0.03 0.00 0.00 56.01 53.20 1cpd n LEU 161 Cb 0.15 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1cpd n LEU 161 CO 0.21 0.71 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.58 1cpd n ASN 162 N 0.12 -5.80 -4.66 -1.43 5.15 0.45 -4.99 115.26 104.11 1cpd n ASN 162 Ca 0.18 -0.07 -0.35 0.00 -0.60 0.00 0.00 54.58 53.75 1cpd n ASN 162 Cb 0.73 -4.78 -0.10 0.00 -0.53 0.00 0.00 39.78 35.09 1cpd n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1cpd s MET 163 N -5.13 3.22 0.00 1.20 -1.94 0.18 -5.00 119.30 111.83 1cpd s MET 163 Ca 0.06 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 1cpd s MET 163 Cb -0.02 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.94 1cpd s MET 163 CO 0.07 0.59 0.00 0.27 -0.01 0.00 0.00 175.02 175.93 1cpd n ASN 164 N 2.51 0.00 -0.16 3.03 0.23 -1.26 -4.18 115.26 115.43 1cpd n ASN 164 Ca -0.18 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.78 1cpd n ASN 164 Cb 0.53 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1cpd n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cpd h ASP 165 N 0.00 0.69 -0.68 0.53 3.32 -1.99 -1.42 116.42 116.88 1cpd h ASP 165 Ca 0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1cpd h ASP 165 Cb 0.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1cpd h ASP 165 CO 0.00 0.74 0.21 -0.09 -1.72 0.00 0.00 179.24 178.39 1cpd h ARG 166 N 0.61 1.05 -0.50 3.56 2.43 -1.97 -1.50 114.38 118.06 1cpd h ARG 166 Ca 0.14 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 1cpd h ARG 166 Cb 0.32 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1cpd h ARG 166 CO 0.00 0.91 -0.02 0.93 -1.51 0.00 0.00 179.97 180.28 1cpd h GLU 167 N 0.99 0.89 0.30 0.20 5.08 -1.90 -1.45 114.58 118.69 1cpd h GLU 167 Ca 0.22 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1cpd h GLU 167 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1cpd h GLU 167 CO -0.01 0.94 -0.19 0.28 -1.00 0.00 0.00 179.01 179.03 1cpd h VAL 168 N 0.75 0.60 -0.61 3.13 2.07 -1.07 -0.82 116.25 120.30 1cpd h VAL 168 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1cpd h VAL 168 Cb 0.55 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1cpd h VAL 168 CO 0.03 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.58 1cpd h VAL 169 N -0.47 1.10 -0.29 2.57 2.07 -1.24 -1.75 116.25 118.24 1cpd h VAL 169 Ca -0.03 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1cpd h VAL 169 Cb 0.39 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1cpd h VAL 169 CO 0.03 0.14 0.15 0.00 0.02 0.00 0.00 177.57 177.91 1cpd h ALA 170 N 1.25 0.37 -0.16 1.67 0.00 -1.08 -2.79 119.26 118.52 1cpd h ALA 170 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1cpd h ALA 170 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cpd h ALA 170 CO -0.08 -0.08 -0.10 -0.07 0.00 0.00 0.00 179.25 178.91 1cpd h LEU 171 N 0.34 0.23 -1.07 0.00 3.38 -0.96 -2.38 115.31 114.85 1cpd h LEU 171 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cpd h LEU 171 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1cpd h LEU 171 CO -0.01 0.36 0.00 -0.03 0.09 0.00 0.00 178.44 178.84 1cpd h MET 172 N 0.24 0.00 0.00 1.13 4.05 -1.04 -2.98 114.93 116.33 1cpd h MET 172 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1cpd h MET 172 Cb 0.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1cpd h MET 172 CO 0.02 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.57 1cpd n GLY 173 N 0.05 -0.34 0.04 1.39 0.00 -0.89 -0.91 105.19 104.52 1cpd n GLY 173 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1cpd n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpd n ALA 174 N -0.98 2.39 0.54 4.61 0.00 -1.13 -3.29 120.51 122.65 1cpd n ALA 174 Ca 0.08 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1cpd n ALA 174 Cb 0.04 -1.44 0.32 0.00 0.00 0.00 0.00 19.45 18.36 1cpd n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cpd n HIS 175 N -1.78 0.00 0.19 0.00 8.25 -0.09 -1.75 115.22 120.05 1cpd n HIS 175 Ca 0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 1cpd n HIS 175 Cb 0.37 -0.42 0.34 0.00 1.12 0.00 0.00 29.99 31.40 1cpd n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cpd h ALA 176 N 2.54 0.96 -2.34 -1.41 0.00 -1.79 -3.42 119.26 113.81 1cpd h ALA 176 Ca 0.00 -0.31 -0.47 0.00 0.00 0.00 0.00 54.91 54.13 1cpd h ALA 176 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1cpd h ALA 176 CO 0.00 0.42 0.29 -0.51 0.00 0.00 0.00 179.25 179.45 1cpd s LEU 177 N -6.88 4.20 0.00 0.00 1.43 -0.72 -4.34 118.68 112.38 1cpd s LEU 177 Ca 0.01 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1cpd s LEU 177 Cb 0.10 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1cpd s LEU 177 CO 0.68 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.72 1cpd n GLY 178 N 0.17 2.74 3.70 -3.19 0.00 -0.20 -4.92 105.19 103.50 1cpd n GLY 178 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1cpd n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpd s LYS 179 N 0.00 0.53 0.25 1.61 -2.85 -1.26 -4.30 119.74 113.72 1cpd s LYS 179 Ca 0.00 -0.30 -0.08 0.00 -1.00 0.00 0.00 55.97 54.58 1cpd s LYS 179 Cb 0.00 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.88 1cpd s LYS 179 CO 0.00 -0.24 0.56 0.95 0.10 0.00 0.00 175.35 176.71 1cpd s THR 180 N -2.44 4.96 -0.08 3.79 -4.23 -0.58 -4.97 115.64 112.09 1cpd s THR 180 Ca 0.17 0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1cpd s THR 180 Cb 0.03 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1cpd s THR 180 CO -0.02 -0.16 -0.04 -1.00 -0.54 0.00 0.00 174.62 172.86 1cpd s HIS 181 N -1.91 1.00 0.26 3.99 0.09 -0.80 -2.70 115.29 115.22 1cpd s HIS 181 Ca 0.46 -0.39 -0.10 0.00 -0.00 0.00 0.00 55.06 55.03 1cpd s HIS 181 Cb -0.11 -0.95 0.40 0.00 -0.00 0.00 0.00 32.58 31.92 1cpd s HIS 181 CO 0.24 -0.37 1.53 -0.11 -0.00 0.00 0.00 174.74 176.03 1cpd n LEU 182 N 4.85 -0.42 0.07 0.89 7.94 0.17 -0.81 117.00 129.68 1cpd n LEU 182 Ca -0.12 1.69 0.02 0.00 -1.11 0.00 0.00 56.01 56.49 1cpd n LEU 182 Cb 0.50 -0.48 0.38 0.00 0.53 0.00 0.00 43.42 44.36 1cpd n LEU 182 CO 0.15 -1.59 0.97 0.11 -1.11 0.00 0.00 177.39 175.91 1cpd h LYS 183 N 0.00 0.37 0.00 1.96 1.79 -1.96 0.15 116.57 118.87 1cpd h LYS 183 Ca 0.44 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1cpd h LYS 183 Cb 0.68 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1cpd h LYS 183 CO -1.00 0.40 -0.05 -0.91 -1.08 0.00 0.00 179.45 176.81 1cpd h ASN 184 N 0.36 0.00 -0.00 0.86 2.35 -1.32 -3.43 115.58 114.39 1cpd h ASN 184 Ca 0.08 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1cpd h ASN 184 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1cpd h ASN 184 CO 0.01 0.62 -0.07 -1.54 -1.65 0.00 0.00 177.43 174.80 1cpd n SER 185 N -4.73 1.09 0.00 5.81 3.41 -0.51 -4.80 113.62 113.88 1cpd n SER 185 Ca -0.03 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1cpd n SER 185 Cb 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1cpd n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cpd n GLY 186 N 0.54 0.46 3.08 5.00 0.00 0.52 -5.01 105.19 109.78 1cpd n GLY 186 Ca 0.02 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1cpd n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpd s TYR 187 N -2.00 0.83 -0.08 1.61 2.02 -1.26 -4.63 117.35 113.84 1cpd s TYR 187 Ca 0.00 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 1cpd s TYR 187 Cb 0.00 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1cpd s TYR 187 CO 0.00 -0.03 0.20 -2.00 -1.57 0.00 0.00 175.55 172.16 1cpd s GLU 188 N -1.36 0.19 0.00 -0.62 2.56 -1.26 -0.65 118.70 117.56 1cpd s GLU 188 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 54.97 55.31 1cpd s GLU 188 Cb -0.09 -0.03 0.00 0.00 2.00 0.00 0.00 34.13 36.01 1cpd s GLU 188 CO 0.01 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 1cpd n GLY 189 N 3.69 3.38 3.95 -1.50 0.00 -1.10 -4.89 105.19 108.72 1cpd n GLY 189 Ca -0.20 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1cpd n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpd s PRO 190 N -2.96 2.31 0.00 1.61 0.04 -1.26 -1.53 135.00 133.21 1cpd s PRO 190 Ca 0.00 -0.47 0.16 0.00 0.04 0.00 0.00 61.00 60.72 1cpd s PRO 190 Cb 0.00 -2.29 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1cpd s PRO 190 CO 0.00 -1.05 0.94 0.41 0.04 0.00 0.00 177.00 177.34 1cpd n GLY 191 N -2.70 0.08 0.00 0.56 0.00 -1.26 -0.93 105.19 100.93 1cpd n GLY 191 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1cpd n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpd n GLY 192 N 0.96 0.39 0.12 -0.02 0.00 -1.26 -4.69 105.19 100.70 1cpd n GLY 192 Ca 0.08 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1cpd n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpd h ALA 193 N 2.00 -0.05 -1.37 4.61 0.00 -1.97 -3.40 119.26 119.08 1cpd h ALA 193 Ca 0.00 -0.79 -0.75 0.00 0.00 0.00 0.00 54.91 53.36 1cpd h ALA 193 Cb 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 17.79 1cpd h ALA 193 CO 0.00 0.51 1.60 0.00 0.00 0.00 0.00 179.25 181.36 1cpd n ALA 194 N -2.73 4.69 0.80 0.00 0.00 -1.26 -4.82 120.51 117.18 1cpd n ALA 194 Ca -0.16 -4.34 0.04 0.00 0.00 0.00 0.00 53.44 48.98 1cpd n ALA 194 Cb 0.88 -2.94 0.15 0.00 0.00 0.00 0.00 19.45 17.53 1cpd n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cpd n ASN 195 N 4.36 2.02 -0.36 0.00 2.04 -1.26 -3.84 115.26 118.21 1cpd n ASN 195 Ca 0.37 -2.10 0.01 0.00 -0.44 0.00 0.00 54.58 52.41 1cpd n ASN 195 Cb 0.39 -0.30 0.01 0.00 -2.53 0.00 0.00 39.78 37.34 1cpd n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1cpd n ASN 196 N 0.38 0.15 -4.12 0.53 0.23 -1.26 -1.03 115.26 110.14 1cpd n ASN 196 Ca 0.11 -1.83 -0.21 0.00 -0.53 0.00 0.00 54.58 52.12 1cpd n ASN 196 Cb 0.36 -0.16 -0.14 0.00 -2.08 0.00 0.00 39.78 37.76 1cpd n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1cpd s VAL 197 N -0.16 1.07 -0.41 3.53 1.01 -1.25 -4.76 120.40 119.43 1cpd s VAL 197 Ca 0.02 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1cpd s VAL 197 Cb 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1cpd s VAL 197 CO 0.00 0.14 0.82 0.12 0.00 0.00 0.00 175.10 176.18 1cpd s PHE 198 N -0.60 3.03 0.33 5.22 2.19 0.92 -4.85 117.98 124.23 1cpd s PHE 198 Ca 0.03 0.41 -0.00 0.00 0.33 0.00 0.00 56.93 57.69 1cpd s PHE 198 Cb -0.07 -3.61 -0.01 0.00 -1.31 0.00 0.00 43.02 38.03 1cpd s PHE 198 CO 0.00 -0.89 0.42 0.95 1.83 0.00 0.00 175.22 177.53 1cpd s THR 199 N 3.31 0.00 -0.61 0.12 -4.23 -1.26 -4.65 115.64 108.33 1cpd s THR 199 Ca 0.32 -1.70 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1cpd s THR 199 Cb -0.12 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.48 1cpd s THR 199 CO 0.21 0.00 1.09 -0.46 -0.54 0.00 0.00 174.62 174.92 1cpd n ASN 200 N -1.37 3.12 -0.31 3.99 2.04 -1.26 -4.44 115.26 117.03 1cpd n ASN 200 Ca 0.02 -2.45 0.18 0.00 -0.44 0.00 0.00 54.58 51.90 1cpd n ASN 200 Cb 0.62 -0.59 0.44 0.00 -2.53 0.00 0.00 39.78 37.72 1cpd n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1cpd h GLU 201 N 1.59 0.52 -0.56 -3.83 4.81 -1.94 -2.31 114.58 112.86 1cpd h GLU 201 Ca 0.04 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1cpd h GLU 201 Cb 1.24 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.43 1cpd h GLU 201 CO 0.25 0.34 0.19 0.35 -0.73 0.00 0.00 179.01 179.42 1cpd h PHE 202 N 0.54 0.33 -0.36 0.92 3.57 -1.84 -0.94 116.94 119.16 1cpd h PHE 202 Ca 0.54 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 62.04 1cpd h PHE 202 Cb 1.16 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1cpd h PHE 202 CO -0.00 0.08 0.09 1.88 -2.23 0.00 0.00 178.31 178.13 1cpd h TYR 203 N 0.36 0.61 -0.33 0.41 0.05 -1.77 -1.85 116.97 114.45 1cpd h TYR 203 Ca 0.28 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 59.00 1cpd h TYR 203 Cb 0.33 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1cpd h TYR 203 CO -0.18 0.60 0.19 -0.07 -1.05 0.00 0.00 178.16 177.65 1cpd h LEU 204 N 0.44 0.30 -0.49 3.88 3.38 -1.35 -1.28 115.31 120.19 1cpd h LEU 204 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1cpd h LEU 204 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1cpd h LEU 204 CO 0.00 0.22 0.21 0.78 0.09 0.00 0.00 178.44 179.74 1cpd h ASN 205 N 0.39 0.66 -0.72 -0.43 4.21 -1.12 0.42 115.58 118.99 1cpd h ASN 205 Ca 0.13 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 1cpd h ASN 205 Cb 0.01 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.00 1cpd h ASN 205 CO -0.07 0.64 0.39 -0.07 -1.29 0.00 0.00 177.43 177.03 1cpd h LEU 206 N 0.65 0.91 -0.12 1.61 3.38 -1.08 -1.87 115.31 118.78 1cpd h LEU 206 Ca 0.16 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1cpd h LEU 206 Cb 0.17 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1cpd h LEU 206 CO -0.02 0.75 -0.66 -0.07 0.09 0.00 0.00 178.44 178.54 1cpd h LEU 207 N 1.00 0.78 0.00 1.67 3.38 -0.77 -3.39 115.31 117.98 1cpd h LEU 207 Ca 0.25 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1cpd h LEU 207 Cb 0.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1cpd h LEU 207 CO -0.04 1.30 -0.63 0.78 0.09 0.00 0.00 178.44 179.94 1cpd h ASN 208 N 0.31 0.00 -2.98 -0.43 -0.26 -0.07 -3.48 115.58 108.67 1cpd h ASN 208 Ca -0.05 -0.08 -0.45 0.00 -0.56 0.00 0.00 56.30 55.16 1cpd h ASN 208 Cb 1.30 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 38.62 1cpd h ASN 208 CO 0.13 0.04 0.06 -1.61 -1.06 0.00 0.00 177.43 175.00 1cpd s GLU 209 N -3.25 2.44 -0.64 0.81 0.41 -0.71 -5.03 118.70 112.73 1cpd s GLU 209 Ca 0.04 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.99 1cpd s GLU 209 Cb 0.10 -2.37 0.17 0.00 -1.78 0.00 0.00 34.13 30.25 1cpd s GLU 209 CO 0.73 -0.88 0.47 0.34 -0.49 0.00 0.00 175.26 175.42 1cpd s ASP 210 N -4.45 5.34 0.11 -0.19 2.15 -1.26 -4.99 116.67 113.38 1cpd s ASP 210 Ca 0.58 -2.86 -0.26 0.00 0.43 0.00 0.00 52.55 50.44 1cpd s ASP 210 Cb -0.10 -1.88 -0.07 0.00 -0.30 0.00 0.00 42.92 40.57 1cpd s ASP 210 CO 0.41 -0.38 0.79 0.26 -0.17 0.00 0.00 175.17 176.08 1cpd s TRP 211 N -0.08 3.83 -0.03 -5.34 0.52 -1.26 -4.03 118.94 112.55 1cpd s TRP 211 Ca 0.17 1.58 0.04 0.00 0.02 0.00 0.00 56.10 57.91 1cpd s TRP 211 Cb -0.19 -2.82 -0.01 0.00 -1.15 0.00 0.00 33.47 29.31 1cpd s TRP 211 CO -0.04 0.38 -0.16 0.15 0.02 0.00 0.00 176.95 177.30 1cpd s LYS 212 N -0.57 1.55 -0.08 4.98 -0.14 0.24 -4.89 119.74 120.82 1cpd s LYS 212 Ca 0.38 -0.57 -0.28 0.00 -1.36 0.00 0.00 55.97 54.13 1cpd s LYS 212 Cb -0.22 -1.40 -0.02 0.00 -1.68 0.00 0.00 37.83 34.51 1cpd s LYS 212 CO 0.25 0.27 0.94 -1.17 -0.76 0.00 0.00 175.35 174.88 1cpd s LEU 213 N -0.09 4.28 0.19 3.17 2.96 -1.26 -0.67 118.68 127.26 1cpd s LEU 213 Ca -0.00 1.47 -0.08 0.00 -0.22 0.00 0.00 54.13 55.30 1cpd s LEU 213 Cb -0.09 -3.45 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1cpd s LEU 213 CO 0.01 -0.34 0.29 -1.61 -1.32 0.00 0.00 176.35 173.38 1cpd s GLU 214 N 1.59 1.24 0.15 1.98 2.02 0.12 -4.98 118.70 120.82 1cpd s GLU 214 Ca 0.47 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 1cpd s GLU 214 Cb -0.19 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 1cpd s GLU 214 CO 0.20 -0.46 0.33 0.15 0.02 0.00 0.00 175.26 175.50 1cpd s LYS 215 N -4.02 3.51 0.56 1.61 1.02 -1.26 -0.49 119.74 120.67 1cpd s LYS 215 Ca 0.23 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 55.92 1cpd s LYS 215 Cb 0.03 -2.91 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1cpd s LYS 215 CO 0.04 0.48 0.48 0.27 -0.92 0.00 0.00 175.35 175.70 1cpd n ASN 216 N -0.25 2.68 0.14 2.83 0.23 0.15 -4.91 115.26 116.13 1cpd n ASN 216 Ca -0.05 -2.86 0.09 0.00 -0.53 0.00 0.00 54.58 51.24 1cpd n ASN 216 Cb 0.53 -0.10 0.49 0.00 -2.08 0.00 0.00 39.78 38.62 1cpd n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cpd n ASP 217 N -1.90 0.47 -0.74 0.53 8.00 -1.26 0.27 116.55 121.92 1cpd n ASP 217 Ca 0.01 0.72 0.13 0.00 0.71 0.00 0.00 54.79 56.35 1cpd n ASP 217 Cb 0.63 -0.78 0.30 0.00 -0.02 0.00 0.00 41.12 41.25 1cpd n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cpd n ALA 218 N -1.73 2.51 -2.14 2.24 0.00 -1.26 -4.93 120.51 115.19 1cpd n ALA 218 Ca -0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.78 1cpd n ALA 218 Cb 0.04 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1cpd n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cpd n ASN 219 N 0.80 -2.39 -4.52 0.00 5.15 0.14 -5.04 115.26 109.40 1cpd n ASN 219 Ca 0.17 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.87 1cpd n ASN 219 Cb 0.48 -1.71 -0.10 0.00 -0.53 0.00 0.00 39.78 37.92 1cpd n ASN 219 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1cpd s ASN 220 N -2.76 3.98 0.13 1.20 0.01 -1.26 -4.83 114.94 111.41 1cpd s ASN 220 Ca 0.01 -0.71 -0.13 0.00 -0.71 0.00 0.00 52.86 51.32 1cpd s ASN 220 Cb -0.00 -0.56 -0.07 0.00 0.41 0.00 0.00 41.25 41.03 1cpd s ASN 220 CO 0.01 0.10 0.51 -1.61 -1.51 0.00 0.00 177.10 174.59 1cpd s GLU 221 N -2.90 3.91 0.08 -0.60 2.02 -1.26 0.34 118.70 120.29 1cpd s GLU 221 Ca 0.25 0.40 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 1cpd s GLU 221 Cb -0.08 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.24 1cpd s GLU 221 CO 0.14 0.50 0.36 1.14 0.02 0.00 0.00 175.26 177.42 1cpd s GLN 222 N -1.97 0.96 -0.26 1.61 -2.07 0.36 -4.63 119.66 113.66 1cpd s GLN 222 Ca 0.37 -0.60 -0.13 0.00 -1.82 0.00 0.00 55.36 53.17 1cpd s GLN 222 Cb -0.15 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1cpd s GLN 222 CO 0.19 -0.35 0.30 -1.58 -1.32 0.00 0.00 175.29 172.53 1cpd s TRP 223 N -3.22 3.27 -0.04 9.60 0.52 -0.91 -0.71 118.94 127.45 1cpd s TRP 223 Ca -0.00 0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.51 1cpd s TRP 223 Cb 0.01 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1cpd s TRP 223 CO -0.08 -0.13 -0.19 -0.51 0.02 0.00 0.00 176.95 176.06 1cpd s ASP 224 N 1.48 3.60 0.23 2.95 1.01 0.15 -0.21 116.67 125.88 1cpd s ASP 224 Ca 0.12 -0.32 0.09 0.00 0.71 0.00 0.00 52.55 53.15 1cpd s ASP 224 Cb -0.15 -0.67 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 1cpd s ASP 224 CO 0.09 0.32 -0.04 -0.94 0.21 0.00 0.00 175.17 174.81 1cpd s SER 225 N -0.62 4.42 0.36 0.27 1.04 -0.16 0.81 113.70 119.82 1cpd s SER 225 Ca 0.09 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 55.96 1cpd s SER 225 Cb -0.11 -0.79 0.67 0.00 0.10 0.00 0.00 66.02 65.89 1cpd s SER 225 CO 0.00 0.05 1.93 0.07 0.98 0.00 0.00 173.24 176.27 1cpd h LYS 226 N 2.33 0.54 0.00 4.02 -0.00 -1.87 -0.27 116.57 121.32 1cpd h LYS 226 Ca -0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.11 1cpd h LYS 226 Cb 1.23 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 1cpd h LYS 226 CO 0.58 0.50 0.00 0.43 -0.00 0.00 0.00 179.45 180.96 1cpd n SER 227 N -4.34 0.00 0.00 7.07 7.64 -1.26 -4.81 113.62 117.93 1cpd n SER 227 Ca 0.02 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1cpd n SER 227 Cb 0.19 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1cpd n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cpd n GLY 228 N -0.49 0.85 3.99 0.23 0.00 -0.11 -5.09 105.19 104.57 1cpd n GLY 228 Ca 0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1cpd n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpd s TYR 229 N -2.00 3.03 0.15 1.61 2.02 -1.23 -4.70 117.35 116.23 1cpd s TYR 229 Ca 0.00 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1cpd s TYR 229 Cb 0.00 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1cpd s TYR 229 CO 0.00 -0.21 -0.04 0.00 -1.57 0.00 0.00 175.55 173.72 1cpd s MET 230 N -4.30 1.04 -0.06 -0.62 0.23 -0.11 -0.99 119.30 114.50 1cpd s MET 230 Ca 0.49 -1.47 -0.05 0.00 -1.03 0.00 0.00 55.69 53.63 1cpd s MET 230 Cb -0.10 -0.37 0.02 0.00 -1.53 0.00 0.00 34.83 32.85 1cpd s MET 230 CO 0.33 -0.04 0.15 -1.64 -2.03 0.00 0.00 175.02 171.78 1cpd s MET 231 N -3.85 0.17 0.72 3.16 -1.94 0.71 -4.29 119.30 113.98 1cpd s MET 231 Ca 0.19 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.27 1cpd s MET 231 Cb 0.05 0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.99 1cpd s MET 231 CO 0.01 -0.03 1.11 -0.51 -0.01 0.00 0.00 175.02 175.59 1cpd s LEU 232 N 0.14 2.83 0.21 -0.03 1.43 -1.26 -2.15 118.68 119.86 1cpd s LEU 232 Ca -0.01 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1cpd s LEU 232 Cb -0.02 -3.77 0.28 0.00 0.03 0.00 0.00 46.19 42.71 1cpd s LEU 232 CO -0.00 -1.45 1.77 -0.65 0.23 0.00 0.00 176.35 176.24 1cpd h PRO 233 N -0.72 0.49 -0.14 1.29 0.11 -1.82 0.30 132.00 131.52 1cpd h PRO 233 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cpd h PRO 233 Cb 1.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1cpd h PRO 233 CO 0.64 0.32 0.08 1.79 -0.21 0.00 0.00 178.00 180.63 1cpd h THR 234 N 0.50 1.04 0.02 -1.15 1.35 -1.52 0.36 112.91 113.52 1cpd h THR 234 Ca 0.31 -0.10 -0.17 0.00 -0.55 0.00 0.00 66.41 65.90 1cpd h THR 234 Cb 0.33 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1cpd h THR 234 CO -0.27 0.04 -0.68 0.44 -0.25 0.00 0.00 175.52 174.81 1cpd h ASP 235 N 0.19 0.56 -1.00 5.36 3.32 -1.35 -3.25 116.42 120.25 1cpd h ASP 235 Ca 0.05 -0.79 0.06 0.00 0.02 0.00 0.00 57.03 56.37 1cpd h ASP 235 Cb -0.00 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 1cpd h ASP 235 CO -0.01 1.28 0.65 0.22 -1.72 0.00 0.00 179.24 179.66 1cpd h TYR 236 N -0.10 1.20 -0.47 4.55 3.20 -0.07 -1.30 116.97 123.98 1cpd h TYR 236 Ca -0.09 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.95 1cpd h TYR 236 Cb 1.40 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1cpd h TYR 236 CO 0.15 0.64 0.53 0.66 -1.64 0.00 0.00 178.16 178.50 1cpd h SER 237 N 1.19 0.00 0.40 -2.11 4.64 -0.35 0.46 113.55 117.78 1cpd h SER 237 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1cpd h SER 237 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1cpd h SER 237 CO -0.16 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.98 1cpd n LEU 238 N -3.63 0.63 -0.39 5.97 4.77 -0.49 -1.18 117.00 122.67 1cpd n LEU 238 Ca 0.09 0.71 0.08 0.00 -0.03 0.00 0.00 56.01 56.86 1cpd n LEU 238 Cb 0.72 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1cpd n LEU 238 CO 0.26 -0.74 0.29 2.30 -1.33 0.00 0.00 177.39 178.18 1cpd n ILE 239 N -2.25 0.00 0.04 -0.08 -5.35 0.16 -2.50 119.36 109.38 1cpd n ILE 239 Ca 0.00 -0.36 -0.02 0.00 -0.27 0.00 0.00 62.75 62.10 1cpd n ILE 239 Cb 0.14 1.20 -0.08 0.00 -1.74 0.00 0.00 39.64 39.16 1cpd n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1cpd h GLN 240 N 1.93 0.00 -5.66 6.28 4.20 -1.12 -3.45 115.11 117.28 1cpd h GLN 240 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1cpd h GLN 240 Cb 0.55 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 1cpd h GLN 240 CO 0.00 0.44 -0.26 0.34 -0.67 0.00 0.00 178.83 178.68 1cpd s ASP 241 N -6.05 6.57 0.30 1.46 -1.08 -1.04 -4.97 116.67 111.85 1cpd s ASP 241 Ca -0.02 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1cpd s ASP 241 Cb 0.08 -2.22 0.46 0.00 -1.46 0.00 0.00 42.92 39.79 1cpd s ASP 241 CO 0.81 0.13 1.84 -0.65 0.52 0.00 0.00 175.17 177.82 1cpd h PRO 242 N 6.22 0.74 -0.14 4.34 0.11 -1.90 0.11 132.00 141.49 1cpd h PRO 242 Ca -0.44 -0.15 -0.19 0.00 0.11 0.00 0.00 66.00 65.33 1cpd h PRO 242 Cb 1.18 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.19 1cpd h PRO 242 CO 0.72 0.69 -0.67 0.87 -0.21 0.00 0.00 178.00 179.39 1cpd h LYS 243 N 0.71 0.70 -0.29 1.05 1.57 -1.95 -3.11 116.57 115.26 1cpd h LYS 243 Ca 0.16 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1cpd h LYS 243 Cb 0.30 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1cpd h LYS 243 CO 0.00 1.18 0.14 1.88 -0.57 0.00 0.00 179.45 182.09 1cpd h TYR 244 N 0.39 0.40 -0.97 -1.35 0.05 -1.75 -3.11 116.97 110.62 1cpd h TYR 244 Ca -0.05 -0.02 0.19 0.00 0.05 0.00 0.00 58.73 58.90 1cpd h TYR 244 Cb 1.31 -0.13 -0.09 0.00 1.01 0.00 0.00 36.73 38.83 1cpd h TYR 244 CO 0.10 0.36 0.61 1.25 -1.05 0.00 0.00 178.16 179.43 1cpd h LEU 245 N 0.33 0.67 -0.92 3.88 5.85 -0.47 0.75 115.31 125.41 1cpd h LEU 245 Ca 0.10 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1cpd h LEU 245 Cb 0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1cpd h LEU 245 CO -0.01 0.26 -0.35 0.77 -0.34 0.00 0.00 178.44 178.77 1cpd h SER 246 N 0.67 0.00 0.11 1.25 4.64 -1.47 -1.96 113.55 116.79 1cpd h SER 246 Ca 0.53 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.58 1cpd h SER 246 Cb 0.95 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1cpd h SER 246 CO -0.30 0.35 -1.12 0.40 -0.87 0.00 0.00 176.83 175.29 1cpd h ILE 247 N 0.00 1.30 -0.57 0.95 2.04 -1.00 -2.18 117.51 118.05 1cpd h ILE 247 Ca -0.00 -2.38 0.08 0.00 1.00 0.00 0.00 64.86 63.56 1cpd h ILE 247 Cb 0.89 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 1cpd h ILE 247 CO 0.05 0.73 0.20 0.58 0.00 0.00 0.00 178.15 179.71 1cpd h VAL 248 N 0.32 0.79 -0.90 1.67 2.07 -0.86 -1.47 116.25 117.87 1cpd h VAL 248 Ca -0.15 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1cpd h VAL 248 Cb 1.78 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1cpd h VAL 248 CO 0.21 0.07 0.56 0.11 0.02 0.00 0.00 177.57 178.54 1cpd h LYS 249 N 0.38 0.97 -0.82 1.57 1.57 -1.26 -0.75 116.57 118.23 1cpd h LYS 249 Ca 0.28 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1cpd h LYS 249 Cb 0.34 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1cpd h LYS 249 CO -0.29 0.64 0.54 1.49 -0.57 0.00 0.00 179.45 181.27 1cpd h GLU 250 N 1.00 1.08 -0.08 3.15 4.81 -0.62 -2.29 114.58 121.62 1cpd h GLU 250 Ca 0.40 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.39 1cpd h GLU 250 Cb 0.22 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1cpd h GLU 250 CO -0.19 0.71 -0.70 1.88 -0.73 0.00 0.00 179.01 179.98 1cpd h TYR 251 N 1.11 0.52 -0.08 0.92 0.05 -0.86 -0.64 116.97 118.00 1cpd h TYR 251 Ca 0.30 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 1cpd h TYR 251 Cb -0.12 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1cpd h TYR 251 CO -0.02 0.97 -0.21 0.00 -1.05 0.00 0.00 178.16 177.86 1cpd h ALA 252 N 0.97 1.52 0.00 3.88 0.00 -1.02 -2.94 119.26 121.67 1cpd h ALA 252 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cpd h ALA 252 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cpd h ALA 252 CO 0.12 0.35 -0.86 0.09 0.00 0.00 0.00 179.25 178.95 1cpd n ASN 253 N -4.24 0.69 -3.32 0.00 3.02 -0.88 -4.79 115.26 105.74 1cpd n ASN 253 Ca -0.01 0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1cpd n ASN 253 Cb 0.30 0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.86 1cpd n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cpd s ASP 254 N -4.37 0.56 0.43 6.41 2.15 -0.28 -4.98 116.67 116.58 1cpd s ASP 254 Ca 0.04 -0.58 0.11 0.00 0.43 0.00 0.00 52.55 52.54 1cpd s ASP 254 Cb 0.13 1.01 0.96 0.00 -0.30 0.00 0.00 42.92 44.71 1cpd s ASP 254 CO 0.76 -0.34 2.02 -0.61 -0.17 0.00 0.00 175.17 176.83 1cpd h GLN 255 N 8.01 0.45 -0.22 4.34 4.15 -1.86 -2.11 115.11 127.87 1cpd h GLN 255 Ca -0.07 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1cpd h GLN 255 Cb 1.11 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1cpd h GLN 255 CO 0.26 0.30 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.99 1cpd h ASP 256 N 0.47 0.40 -0.31 -0.69 5.19 -1.93 -1.01 116.42 118.54 1cpd h ASP 256 Ca 0.21 -0.34 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 1cpd h ASP 256 Cb 0.25 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1cpd h ASP 256 CO -0.05 0.65 0.11 0.50 -3.12 0.00 0.00 179.24 177.32 1cpd h LYS 257 N 0.15 0.24 -0.63 3.56 1.63 -1.81 -0.93 116.57 118.78 1cpd h LYS 257 Ca 0.06 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1cpd h LYS 257 Cb 0.46 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1cpd h LYS 257 CO 0.02 0.16 0.34 0.35 -3.45 0.00 0.00 179.45 176.86 1cpd h PHE 258 N 0.24 0.63 -0.48 1.91 3.57 -1.30 0.16 116.94 121.67 1cpd h PHE 258 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1cpd h PHE 258 Cb 0.11 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1cpd h PHE 258 CO -0.14 0.30 0.23 0.74 -2.23 0.00 0.00 178.31 177.21 1cpd h PHE 259 N 0.64 0.69 -0.03 0.41 -1.00 -0.60 0.56 116.94 117.60 1cpd h PHE 259 Ca 0.28 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.03 1cpd h PHE 259 Cb 0.17 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 1cpd h PHE 259 CO -0.09 0.55 0.01 0.87 -1.61 0.00 0.00 178.31 178.04 1cpd h LYS 260 N 0.63 0.05 -0.39 1.51 1.57 -0.63 -1.88 116.57 117.43 1cpd h LYS 260 Ca 0.16 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1cpd h LYS 260 Cb 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1cpd h LYS 260 CO -0.02 0.21 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.61 1cpd h ASP 261 N -0.13 0.59 -0.53 0.86 5.19 -0.59 -2.61 116.42 119.21 1cpd h ASP 261 Ca 0.01 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.22 1cpd h ASP 261 Cb 0.18 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1cpd h ASP 261 CO -0.00 0.68 0.07 0.15 -3.12 0.00 0.00 179.24 177.02 1cpd h PHE 262 N 0.59 0.95 0.09 4.55 3.57 -0.71 -1.33 116.94 124.65 1cpd h PHE 262 Ca 0.12 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1cpd h PHE 262 Cb 0.40 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1cpd h PHE 262 CO 0.02 0.85 -0.09 1.03 -2.23 0.00 0.00 178.31 177.89 1cpd h SER 263 N 0.77 -0.25 -0.50 0.41 0.87 -1.22 0.48 113.55 114.11 1cpd h SER 263 Ca 0.16 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1cpd h SER 263 Cb 0.43 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1cpd h SER 263 CO 0.01 -0.15 0.11 0.11 -0.53 0.00 0.00 176.83 176.39 1cpd h LYS 264 N -0.20 0.81 -0.09 2.24 1.57 -1.40 -2.36 116.57 117.13 1cpd h LYS 264 Ca 0.01 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1cpd h LYS 264 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1cpd h LYS 264 CO -0.03 0.79 -0.29 0.00 -0.57 0.00 0.00 179.45 179.35 1cpd h ALA 265 N 0.99 1.35 -0.22 3.86 0.00 -0.94 -1.70 119.26 122.60 1cpd h ALA 265 Ca 0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1cpd h ALA 265 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cpd h ALA 265 CO 0.00 0.46 -0.18 0.35 0.00 0.00 0.00 179.25 179.88 1cpd h PHE 266 N 0.15 0.61 0.06 0.00 3.57 0.13 -1.56 116.94 119.90 1cpd h PHE 266 Ca 0.02 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1cpd h PHE 266 Cb 0.59 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1cpd h PHE 266 CO 0.01 0.84 -0.05 1.49 -2.23 0.00 0.00 178.31 178.37 1cpd h GLU 267 N 0.20 -0.11 -0.63 1.11 4.81 -1.28 -1.16 114.58 117.52 1cpd h GLU 267 Ca 0.04 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1cpd h GLU 267 Cb 0.72 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 1cpd h GLU 267 CO 0.05 -0.07 0.29 -0.22 -0.73 0.00 0.00 179.01 178.33 1cpd h LYS 268 N -0.11 0.51 -0.91 1.92 3.64 -1.31 0.41 116.57 120.73 1cpd h LYS 268 Ca 0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1cpd h LYS 268 Cb 0.10 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1cpd h LYS 268 CO -0.01 0.34 0.58 1.25 -2.27 0.00 0.00 179.45 179.33 1cpd h LEU 269 N 0.52 0.92 -0.32 5.20 5.85 -0.80 -0.81 115.31 125.87 1cpd h LEU 269 Ca 0.31 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1cpd h LEU 269 Cb 0.31 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1cpd h LEU 269 CO -0.25 0.60 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.34 1cpd h LEU 270 N 1.07 0.00 -0.02 2.25 3.38 0.04 -3.23 115.31 118.79 1cpd h LEU 270 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1cpd h LEU 270 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cpd h LEU 270 CO -0.16 0.03 -0.85 -0.62 0.09 0.00 0.00 178.44 176.93 1cpd n GLU 271 N -3.11 0.03 -1.65 1.13 1.02 0.01 -4.61 120.64 113.45 1cpd n GLU 271 Ca 0.03 -0.02 -0.47 0.00 -0.02 0.00 0.00 57.16 56.68 1cpd n GLU 271 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1cpd n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cpd n ASN 272 N -1.47 2.64 0.00 1.62 3.02 -0.35 -2.11 115.26 118.60 1cpd n ASN 272 Ca 0.05 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 1cpd n ASN 272 Cb 0.33 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 1cpd n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cpd n GLY 273 N 2.76 0.55 3.29 7.41 0.00 -1.26 -4.49 105.19 113.45 1cpd n GLY 273 Ca 0.15 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1cpd n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cpd s ILE 274 N -2.00 2.08 -0.26 -0.61 1.01 -0.90 -4.34 121.20 116.18 1cpd s ILE 274 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.48 1cpd s ILE 274 Cb 0.00 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1cpd s ILE 274 CO 0.00 0.57 0.14 -0.89 0.00 0.00 0.00 174.94 174.77 1cpd s THR 275 N -0.37 5.03 -0.35 2.92 2.01 0.65 -4.97 115.64 120.55 1cpd s THR 275 Ca 0.03 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1cpd s THR 275 Cb -0.12 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1cpd s THR 275 CO 0.02 0.31 0.20 -0.36 -0.69 0.00 0.00 174.62 174.09 1cpd s PHE 276 N 1.49 3.22 0.68 4.92 0.08 -1.26 -0.10 117.98 127.00 1cpd s PHE 276 Ca 0.07 -0.64 -0.16 0.00 0.12 0.00 0.00 56.93 56.31 1cpd s PHE 276 Cb -0.15 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1cpd s PHE 276 CO 0.07 -0.52 1.19 -2.14 -0.10 0.00 0.00 175.22 173.72 1cpd s PRO 277 N 1.62 2.49 0.51 0.24 0.02 -1.26 -4.88 135.00 133.74 1cpd s PRO 277 Ca 0.04 1.70 0.28 0.00 0.02 0.00 0.00 61.00 63.04 1cpd s PRO 277 Cb -0.18 -1.88 1.39 0.00 0.02 0.00 0.00 34.50 33.85 1cpd s PRO 277 CO 0.08 -1.55 1.89 1.57 -0.33 0.00 0.00 177.00 178.65 1cpd h LYS 278 N 0.07 0.09 -0.01 5.54 -0.00 -2.01 -0.06 116.57 120.19 1cpd h LYS 278 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1cpd h LYS 278 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 1cpd h LYS 278 CO 0.52 0.06 -0.05 -0.40 -0.00 0.00 0.00 179.45 179.58 1cpd n ASP 279 N -4.33 1.51 -4.71 7.07 5.75 -1.26 -4.93 116.55 115.65 1cpd n ASP 279 Ca 0.18 -1.42 -0.34 0.00 -0.01 0.00 0.00 54.79 53.21 1cpd n ASP 279 Cb 0.88 0.03 0.12 0.00 -1.03 0.00 0.00 41.12 41.12 1cpd n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpd s ALA 280 N -2.10 1.94 0.70 2.12 0.00 -0.04 -4.95 121.76 119.43 1cpd s ALA 280 Ca 0.35 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1cpd s ALA 280 Cb 0.21 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1cpd s ALA 280 CO 0.37 -2.15 1.06 -1.25 0.00 0.00 0.00 175.76 173.79 1cpd s PRO 281 N -4.08 2.93 1.01 0.00 0.04 -1.26 -5.00 135.00 128.64 1cpd s PRO 281 Ca 0.73 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1cpd s PRO 281 Cb -0.29 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.45 1cpd s PRO 281 CO 0.49 -1.08 1.08 -1.12 0.04 0.00 0.00 177.00 176.42 1cpd s SER 282 N -3.90 2.31 0.47 6.66 0.01 -1.26 -4.94 113.70 113.05 1cpd s SER 282 Ca 0.58 1.74 -0.23 0.00 1.31 0.00 0.00 55.95 59.35 1cpd s SER 282 Cb -0.13 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 1cpd s SER 282 CO 0.55 -3.41 1.20 -2.84 0.41 0.00 0.00 173.24 169.15 1cpd s PRO 283 N -4.65 3.66 0.23 12.44 0.02 -1.26 -4.92 135.00 140.52 1cpd s PRO 283 Ca 0.66 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 1cpd s PRO 283 Cb -0.22 -2.40 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 1cpd s PRO 283 CO 0.60 -0.66 0.49 -0.06 -0.33 0.00 0.00 177.00 177.04 1cpd s PHE 284 N -1.49 3.47 -0.29 6.54 0.08 0.11 -4.77 117.98 121.63 1cpd s PHE 284 Ca 0.65 0.62 0.02 0.00 0.12 0.00 0.00 56.93 58.33 1cpd s PHE 284 Cb -0.31 -2.07 0.08 0.00 -0.57 0.00 0.00 43.02 40.15 1cpd s PHE 284 CO 0.38 0.28 0.01 0.42 -0.10 0.00 0.00 175.22 176.21 1cpd s ILE 285 N -1.91 1.76 0.42 0.64 1.01 -1.26 -1.04 121.20 120.81 1cpd s ILE 285 Ca 0.43 -1.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.11 1cpd s ILE 285 Cb -0.11 -2.18 -0.10 0.00 0.01 0.00 0.00 42.46 40.08 1cpd s ILE 285 CO 0.27 -0.41 0.97 -0.36 0.00 0.00 0.00 174.94 175.41 1cpd s PHE 286 N 1.21 3.32 0.30 3.97 0.08 -1.26 -5.05 117.98 120.56 1cpd s PHE 286 Ca 0.04 1.64 -0.19 0.00 0.12 0.00 0.00 56.93 58.54 1cpd s PHE 286 Cb -0.19 -2.93 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 1cpd s PHE 286 CO -0.11 -0.22 0.79 0.15 -0.10 0.00 0.00 175.22 175.73 1cpd s LYS 287 N -2.92 4.21 0.78 0.44 1.02 -1.26 -5.01 119.74 116.99 1cpd s LYS 287 Ca 0.60 0.90 -0.10 0.00 0.02 0.00 0.00 55.97 57.39 1cpd s LYS 287 Cb -0.13 -2.61 0.08 0.00 -0.52 0.00 0.00 37.83 34.65 1cpd s LYS 287 CO 0.17 0.23 1.12 0.95 -0.92 0.00 0.00 175.35 176.91 1cpd s THR 288 N -1.79 2.11 0.24 2.17 -4.23 -1.26 -4.91 115.64 107.97 1cpd s THR 288 Ca 0.51 -0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 1cpd s THR 288 Cb -0.14 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.92 1cpd s THR 288 CO 0.19 0.00 1.82 -0.07 -0.54 0.00 0.00 174.62 176.01 1cpd h LEU 289 N -0.91 0.68 -1.24 4.79 3.38 -1.97 -2.12 115.31 117.92 1cpd h LEU 289 Ca -0.45 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1cpd h LEU 289 Cb 1.32 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1cpd h LEU 289 CO 0.61 0.40 0.52 -0.08 0.09 0.00 0.00 178.44 179.98 1cpd h GLU 290 N 0.80 1.02 0.00 1.13 4.81 -1.92 -0.44 114.58 119.98 1cpd h GLU 290 Ca 0.38 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1cpd h GLU 290 Cb 0.31 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1cpd h GLU 290 CO -0.23 0.67 0.00 0.93 -0.73 0.00 0.00 179.01 179.65 1cpd h GLU 291 N 1.05 0.00 -0.34 1.92 5.08 -1.74 -2.23 114.58 118.32 1cpd h GLU 291 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1cpd h GLU 291 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1cpd h GLU 291 CO -0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.98 1cpd n GLN 292 N -2.55 2.49 -2.47 2.33 6.02 -0.28 -4.94 117.38 117.99 1cpd n GLN 292 Ca 0.03 -2.25 -0.17 0.00 -0.01 0.00 0.00 57.00 54.60 1cpd n GLN 292 Cb 0.32 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1cpd n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpd n GLY 293 N 1.49 -0.29 0.64 1.08 0.00 -0.61 -5.08 105.19 102.42 1cpd n GLY 293 Ca 0.19 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1cpd n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36