#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbx n ASN -1 N 0.00 -1.79 -0.83 4.04 5.15 -1.26 -5.28 115.26 115.30 3gbx n ASN -1 Ca 0.00 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 3gbx n ASN -1 Cb 0.00 0.97 0.00 0.00 -0.53 0.00 0.00 39.78 40.22 3gbx n ASN -1 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gbx n ALA 0 N -0.69 0.00 -3.42 5.20 0.00 -1.26 -5.24 120.51 115.10 3gbx n ALA 0 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 3gbx n ALA 0 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 3gbx n ALA 0 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gbx s LEU 2 N 0.00 -0.91 0.38 0.00 1.02 -1.26 -5.19 118.68 112.73 3gbx s LEU 2 Ca 0.00 1.03 0.06 0.00 0.02 0.00 0.00 54.13 55.25 3gbx s LEU 2 Cb 0.00 1.95 0.78 0.00 0.02 0.00 0.00 46.19 48.94 3gbx s LEU 2 CO 0.00 -0.17 2.00 0.11 0.02 0.00 0.00 176.35 178.30 3gbx h LYS 3 N 7.82 0.67 -0.04 1.70 1.57 -2.05 -2.13 116.57 124.09 3gbx h LYS 3 Ca -0.17 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 3gbx h LYS 3 Cb 1.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3gbx h LYS 3 CO 0.10 0.44 -0.49 0.07 -0.57 0.00 0.00 179.45 179.00 3gbx h ARG 4 N 0.69 0.11 -2.52 3.15 0.11 -2.11 -3.38 114.38 110.43 3gbx h ARG 4 Ca 0.25 -0.06 -0.81 0.00 0.10 0.00 0.00 59.98 59.46 3gbx h ARG 4 Cb 0.14 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 30.96 3gbx h ARG 4 CO -0.07 0.58 0.99 -0.85 0.10 0.00 0.00 179.97 180.72 3gbx n GLU 5 N -3.95 5.06 0.00 0.08 0.28 -0.80 -5.13 120.64 116.18 3gbx n GLU 5 Ca -0.02 -4.59 0.00 0.00 -0.16 0.00 0.00 57.16 52.40 3gbx n GLU 5 Cb 0.52 -2.49 0.00 0.00 1.43 0.00 0.00 31.44 30.90 3gbx n GLU 5 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3gbx n ASN 7 N 0.54 0.00 -0.02 -1.84 0.23 -1.26 -5.00 115.26 107.90 3gbx n ASN 7 Ca 0.39 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 54.27 3gbx n ASN 7 Cb 0.29 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.90 3gbx n ASN 7 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3gbx h ILE 8 N 0.26 1.33 -0.40 1.53 2.04 -1.97 -3.14 117.51 117.16 3gbx h ILE 8 Ca 0.00 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 3gbx h ILE 8 Cb 0.00 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3gbx h ILE 8 CO 0.00 0.59 0.12 0.00 0.00 0.00 0.00 178.15 178.86 3gbx h ALA 9 N 0.48 1.46 0.00 1.87 0.00 -1.98 0.16 119.26 121.25 3gbx h ALA 9 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gbx h ALA 9 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gbx h ALA 9 CO 0.13 0.40 0.00 0.38 0.00 0.00 0.00 179.25 180.17 3gbx h ASP 10 N 0.58 0.00 0.00 0.00 2.03 -1.95 -3.40 116.42 113.67 3gbx h ASP 10 Ca 0.14 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.38 3gbx h ASP 10 Cb 0.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 3gbx h ASP 10 CO -0.01 0.00 -1.20 0.00 -1.03 0.00 0.00 179.24 177.00 3gbx n TYR 11 N -2.95 0.00 -3.49 4.15 9.36 -0.66 -4.92 117.16 118.65 3gbx n TYR 11 Ca 0.03 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.98 3gbx n TYR 11 Cb 0.40 -0.14 -0.10 0.00 -0.63 0.00 0.00 39.34 38.88 3gbx n TYR 11 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3gbx n ASP 12 N -2.59 1.29 -0.28 2.98 -0.08 0.49 -4.97 116.55 113.39 3gbx n ASP 12 Ca -0.06 -2.84 -0.01 0.00 -1.51 0.00 0.00 54.79 50.37 3gbx n ASP 12 Cb 0.57 -0.65 0.11 0.00 2.34 0.00 0.00 41.12 43.50 3gbx n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gbx h ALA 13 N 4.98 1.05 -0.41 -1.67 0.00 -1.80 0.46 119.26 121.87 3gbx h ALA 13 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3gbx h ALA 13 Cb 0.82 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3gbx h ALA 13 CO 0.56 0.22 0.20 0.93 0.00 0.00 0.00 179.25 181.16 3gbx h GLU 14 N 0.89 0.39 -0.37 0.00 5.08 -1.94 -0.26 114.58 118.37 3gbx h GLU 14 Ca 0.33 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3gbx h GLU 14 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3gbx h GLU 14 CO -0.15 0.26 0.10 1.25 -1.00 0.00 0.00 179.01 179.46 3gbx h LEU 15 N 0.40 0.55 -0.33 1.33 5.85 -1.80 -2.54 115.31 118.77 3gbx h LEU 15 Ca 0.18 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3gbx h LEU 15 Cb 0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3gbx h LEU 15 CO -0.13 0.63 0.16 -0.25 -0.34 0.00 0.00 178.44 178.50 3gbx h TRP 16 N 0.45 0.29 -0.62 1.25 2.91 -0.74 -2.41 115.95 117.09 3gbx h TRP 16 Ca 0.12 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.23 3gbx h TRP 16 Cb 0.28 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.79 3gbx h TRP 16 CO 0.01 0.15 0.29 1.96 -1.03 0.00 0.00 178.44 179.83 3gbx h GLN 17 N 0.33 0.51 -0.61 2.65 4.20 -1.07 -0.17 115.11 120.95 3gbx h GLN 17 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3gbx h GLN 17 Cb 0.06 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3gbx h GLN 17 CO -0.11 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 3gbx n ALA 18 N -2.41 1.32 0.00 3.87 0.00 -0.91 -1.48 120.51 120.91 3gbx n ALA 18 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gbx n ALA 18 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3gbx n ALA 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gbx n GLU 20 N 0.57 0.00 0.23 0.00 -0.58 -0.08 -1.42 120.64 119.37 3gbx n GLU 20 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3gbx n GLU 20 Cb 0.04 0.00 0.54 0.00 -0.57 0.00 0.00 31.44 31.45 3gbx n GLU 20 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3gbx h GLN 21 N 0.00 0.00 -0.20 3.49 4.20 -1.51 -1.62 115.11 119.47 3gbx h GLN 21 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3gbx h GLN 21 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gbx h GLN 21 CO 0.00 0.16 -0.62 1.49 -0.67 0.00 0.00 178.83 179.19 3gbx h GLU 22 N 0.00 0.68 -0.63 1.46 4.57 -1.51 -0.35 114.58 118.81 3gbx h GLU 22 Ca -0.00 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 3gbx h GLU 22 Cb 0.29 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 3gbx h GLU 22 CO 0.02 1.09 0.35 0.87 -1.18 0.00 0.00 179.01 180.16 3gbx h LYS 23 N 0.50 0.87 -0.41 1.92 1.57 -1.69 -1.13 116.57 118.19 3gbx h LYS 23 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3gbx h LYS 23 Cb 1.20 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3gbx h LYS 23 CO 0.12 0.64 0.24 0.28 -0.57 0.00 0.00 179.45 180.17 3gbx h VAL 24 N 0.85 1.14 -0.47 0.50 2.07 -1.17 -1.76 116.25 117.41 3gbx h VAL 24 Ca 0.22 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3gbx h VAL 24 Cb 0.02 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3gbx h VAL 24 CO -0.04 0.15 0.25 -0.09 0.02 0.00 0.00 177.57 177.86 3gbx h ARG 25 N 0.54 0.49 -0.06 1.57 2.43 -0.77 -0.02 114.38 118.55 3gbx h ARG 25 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3gbx h ARG 25 Cb 0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3gbx h ARG 25 CO -0.03 0.32 -0.11 1.96 -1.51 0.00 0.00 179.97 180.61 3gbx h GLN 26 N 0.51 0.09 0.16 0.20 4.20 -0.89 -2.54 115.11 116.84 3gbx h GLN 26 Ca 0.20 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.57 3gbx h GLN 26 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gbx h GLN 26 CO -0.12 0.21 -1.57 1.49 -0.67 0.00 0.00 178.83 178.17 3gbx h GLU 27 N 0.09 0.33 -0.02 1.46 4.57 -0.44 -3.38 114.58 117.19 3gbx h GLU 27 Ca 0.02 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3gbx h GLU 27 Cb 0.26 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3gbx h GLU 27 CO 0.02 1.22 -0.24 0.39 -1.18 0.00 0.00 179.01 179.21 3gbx n GLU 28 N -3.53 1.48 -4.59 1.92 1.02 -0.11 -4.76 120.64 112.07 3gbx n GLU 28 Ca -0.18 -1.13 -0.31 0.00 -0.02 0.00 0.00 57.16 55.52 3gbx n GLU 28 Cb 1.06 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.88 3gbx n GLU 28 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gbx s HIS 29 N -2.29 2.64 -0.40 -0.32 3.76 -0.96 -4.67 115.29 113.03 3gbx s HIS 29 Ca 0.25 -0.21 -0.22 0.00 -0.15 0.00 0.00 55.06 54.73 3gbx s HIS 29 Cb 0.19 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.41 3gbx s HIS 29 CO 0.46 0.29 0.75 0.42 -0.85 0.00 0.00 174.74 175.80 3gbx s ILE 30 N -0.95 4.73 -0.44 0.60 1.01 -0.02 -4.88 121.20 121.24 3gbx s ILE 30 Ca 0.15 0.59 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 3gbx s ILE 30 Cb -0.11 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.16 3gbx s ILE 30 CO 0.06 -0.54 0.52 -0.70 0.00 0.00 0.00 174.94 174.28 3gbx s GLU 31 N 3.09 3.14 0.00 2.79 2.56 -1.26 -0.97 118.70 128.05 3gbx s GLU 31 Ca 0.29 -0.72 0.05 0.00 0.00 0.00 0.00 54.97 54.59 3gbx s GLU 31 Cb -0.13 -4.00 0.14 0.00 2.00 0.00 0.00 34.13 32.15 3gbx s GLU 31 CO 0.19 -0.97 1.10 1.28 -0.56 0.00 0.00 175.26 176.30 3gbx n LEU 32 N 5.85 2.39 -4.68 2.70 4.77 0.41 -3.94 117.00 124.51 3gbx n LEU 32 Ca -0.06 -1.95 -0.42 0.00 -0.03 0.00 0.00 56.01 53.54 3gbx n LEU 32 Cb 0.47 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3gbx n LEU 32 CO 0.49 0.60 1.35 -0.63 -1.33 0.00 0.00 177.39 177.88 3gbx s ILE 33 N -0.97 3.24 0.60 -0.08 1.01 -1.11 -0.79 121.20 123.09 3gbx s ILE 33 Ca 0.11 0.54 0.37 0.00 0.00 0.00 0.00 60.65 61.67 3gbx s ILE 33 Cb 0.06 -3.35 0.40 0.00 0.01 0.00 0.00 42.46 39.58 3gbx s ILE 33 CO 0.07 -0.02 2.30 0.00 0.00 0.00 0.00 174.94 177.29 3gbx h ALA 34 N 8.88 1.23 -0.01 9.38 0.00 -1.83 -1.60 119.26 135.30 3gbx h ALA 34 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gbx h ALA 34 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gbx h ALA 34 CO 0.94 0.01 -0.17 -1.13 0.00 0.00 0.00 179.25 178.90 3gbx n SER 35 N -3.43 1.19 -4.88 0.00 3.41 -1.26 -4.75 113.62 103.90 3gbx n SER 35 Ca -0.03 -1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 57.18 3gbx n SER 35 Cb 0.09 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3gbx n SER 35 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gbx s GLU 36 N -2.33 3.77 0.28 4.33 0.41 -0.60 -4.31 118.70 120.25 3gbx s GLU 36 Ca 0.29 0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 54.97 3gbx s GLU 36 Cb 0.20 -2.53 0.06 0.00 -1.78 0.00 0.00 34.13 30.08 3gbx s GLU 36 CO 0.45 0.15 0.88 1.21 -0.49 0.00 0.00 175.26 177.46 3gbx s ASN 37 N -2.84 -0.06 -0.26 -0.19 3.84 -1.26 -3.65 114.94 110.52 3gbx s ASN 37 Ca 0.49 -0.83 0.03 0.00 0.21 0.00 0.00 52.86 52.76 3gbx s ASN 37 Cb -0.11 0.68 0.06 0.00 -0.55 0.00 0.00 41.25 41.34 3gbx s ASN 37 CO 0.26 -1.33 -0.09 -0.31 -2.79 0.00 0.00 177.10 172.85 3gbx s TYR 38 N -2.63 3.22 0.64 0.43 2.02 -1.26 -5.02 117.35 114.75 3gbx s TYR 38 Ca 0.16 -2.33 -0.13 0.00 -0.37 0.00 0.00 57.07 54.40 3gbx s TYR 38 Cb -0.04 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3gbx s TYR 38 CO 0.08 -0.88 1.05 -0.08 -1.57 0.00 0.00 175.55 174.16 3gbx s THR 39 N 1.11 3.98 0.71 -0.71 -1.32 -1.26 -4.97 115.64 113.19 3gbx s THR 39 Ca -0.07 0.77 -0.12 0.00 -1.21 0.00 0.00 61.69 61.07 3gbx s THR 39 Cb -0.20 -3.42 0.02 0.00 -1.51 0.00 0.00 72.50 67.39 3gbx s THR 39 CO -0.05 -0.72 1.08 -0.94 -2.21 0.00 0.00 174.62 171.78 3gbx s SER 40 N -3.36 5.07 0.61 8.08 1.04 -1.26 -4.90 113.70 118.97 3gbx s SER 40 Ca 0.60 1.76 0.41 0.00 0.48 0.00 0.00 55.95 59.20 3gbx s SER 40 Cb -0.14 -2.52 2.17 0.00 0.10 0.00 0.00 66.02 65.63 3gbx s SER 40 CO 0.47 -1.65 2.24 1.55 0.98 0.00 0.00 173.24 176.82 3gbx h PRO 41 N -0.64 0.00 -0.10 4.02 0.13 -2.00 -2.47 132.00 130.94 3gbx h PRO 41 Ca -0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.49 3gbx h PRO 41 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 3gbx h PRO 41 CO 0.54 0.00 -0.71 0.00 -0.23 0.00 0.00 178.00 177.61 3gbx h ARG 42 N 0.00 0.65 -1.16 0.86 3.08 -2.01 -0.08 114.38 115.72 3gbx h ARG 42 Ca 0.00 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.48 3gbx h ARG 42 Cb 0.05 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3gbx h ARG 42 CO 0.00 1.19 0.00 0.28 -1.07 0.00 0.00 179.97 180.37 3gbx n VAL 43 N -4.05 0.00 0.00 2.04 0.31 -0.93 -1.49 118.33 114.20 3gbx n VAL 43 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3gbx n VAL 43 Cb 0.71 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3gbx n VAL 43 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3gbx n GLN 45 N 0.76 0.00 -0.16 5.55 7.27 -0.04 -1.60 117.38 129.16 3gbx n GLN 45 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3gbx n GLN 45 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 3gbx n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3gbx h ALA 46 N 0.00 0.60 0.00 1.69 0.00 -1.54 -2.66 119.26 117.36 3gbx h ALA 46 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gbx h ALA 46 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gbx h ALA 46 CO 0.00 0.07 -0.13 1.96 0.00 0.00 0.00 179.25 181.15 3gbx h GLN 47 N 0.64 0.00 -0.34 0.00 4.20 -1.36 -2.59 115.11 115.66 3gbx h GLN 47 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3gbx h GLN 47 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gbx h GLN 47 CO -0.03 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 3gbx n GLY 48 N -0.18 0.66 3.98 3.46 0.00 -1.02 -4.87 105.19 107.23 3gbx n GLY 48 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 3gbx n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gbx s SER 49 N -1.10 4.85 0.00 1.61 1.04 -0.98 -4.98 113.70 114.14 3gbx s SER 49 Ca 0.26 -0.20 0.20 0.00 0.48 0.00 0.00 55.95 56.69 3gbx s SER 49 Cb 0.14 -0.44 1.01 0.00 0.10 0.00 0.00 66.02 66.83 3gbx s SER 49 CO 0.18 -1.48 1.62 0.00 0.98 0.00 0.00 173.24 174.54 3gbx n GLN 50 N -2.56 0.30 0.31 4.02 6.02 -1.26 -3.06 117.38 121.15 3gbx n GLN 50 Ca 0.11 0.09 0.21 0.00 -0.01 0.00 0.00 57.00 57.40 3gbx n GLN 50 Cb 0.60 -1.50 1.09 0.00 1.02 0.00 0.00 30.24 31.45 3gbx n GLN 50 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3gbx h LEU 51 N 0.00 0.00 -2.27 1.08 3.38 -1.94 -1.16 115.31 114.40 3gbx h LEU 51 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gbx h LEU 51 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3gbx h LEU 51 CO 0.00 0.00 0.18 0.00 0.09 0.00 0.00 178.44 178.71 3gbx h THR 52 N 0.00 0.43 -0.00 0.22 1.03 -1.89 -1.84 112.91 110.86 3gbx h THR 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3gbx h THR 52 Cb 0.04 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 3gbx h THR 52 CO 0.00 0.00 -0.12 0.59 -0.01 0.00 0.00 175.52 175.98 3gbx n ASN 53 N -3.74 0.35 -4.66 0.00 3.02 -0.44 -4.86 115.26 104.94 3gbx n ASN 53 Ca 0.01 -0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 53.82 3gbx n ASN 53 Cb 0.29 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 3gbx n ASN 53 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gbx s LYS 54 N -2.61 4.20 -0.10 3.52 2.47 -0.69 -5.03 119.74 121.49 3gbx s LYS 54 Ca 0.25 0.52 -0.27 0.00 -1.56 0.00 0.00 55.97 54.91 3gbx s LYS 54 Cb 0.20 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 3gbx s LYS 54 CO 0.50 -0.19 0.90 -0.47 0.16 0.00 0.00 175.35 176.25 3gbx s TYR 55 N 1.76 3.51 0.00 4.03 6.04 -1.26 -5.01 117.35 126.42 3gbx s TYR 55 Ca 0.26 1.44 0.00 0.00 0.04 0.00 0.00 57.07 58.82 3gbx s TYR 55 Cb -0.16 -3.06 0.00 0.00 -1.04 0.00 0.00 41.96 37.70 3gbx s TYR 55 CO 0.10 -0.15 0.00 0.00 -1.54 0.00 0.00 175.55 173.96 3gbx n ALA 56 N 4.72 0.00 0.00 3.97 0.00 -1.26 -5.12 120.51 122.82 3gbx n ALA 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gbx n ALA 56 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3gbx n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gbx n VAL 71 N 0.00 0.00 -0.11 0.00 0.24 -1.26 -4.71 118.33 112.48 3gbx n VAL 71 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 3gbx n VAL 71 Cb 0.00 0.00 0.17 0.00 -1.47 0.00 0.00 33.84 32.54 3gbx n VAL 71 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3gbx h ASP 72 N 0.00 0.76 -0.71 -1.34 3.58 -2.00 -1.80 116.42 114.91 3gbx h ASP 72 Ca 0.00 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 3gbx h ASP 72 Cb 0.00 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3gbx h ASP 72 CO 0.00 0.81 0.36 0.58 -2.88 0.00 0.00 179.24 178.12 3gbx h VAL 73 N 0.75 1.23 -0.45 2.25 2.07 -2.06 0.12 116.25 120.17 3gbx h VAL 73 Ca 0.15 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gbx h VAL 73 Cb 0.42 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3gbx h VAL 73 CO 0.02 0.26 0.29 0.58 0.02 0.00 0.00 177.57 178.73 3gbx h VAL 74 N 0.99 1.09 -0.67 2.57 2.07 -1.80 -1.40 116.25 119.10 3gbx h VAL 74 Ca 0.25 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3gbx h VAL 74 Cb 0.08 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3gbx h VAL 74 CO -0.04 0.11 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 3gbx h GLU 75 N 0.58 1.08 -0.08 1.57 4.81 -0.72 -2.86 114.58 118.96 3gbx h GLU 75 Ca 0.17 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3gbx h GLU 75 Cb -0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3gbx h GLU 75 CO -0.05 0.97 -0.30 0.37 -0.73 0.00 0.00 179.01 179.27 3gbx h GLN 76 N 1.01 0.14 -0.65 1.92 5.75 -0.41 -0.86 115.11 122.01 3gbx h GLN 76 Ca 0.21 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 3gbx h GLN 76 Cb 0.38 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 3gbx h GLN 76 CO 0.00 0.44 0.16 -0.07 -2.65 0.00 0.00 178.83 176.71 3gbx h LEU 77 N 0.13 0.99 -0.24 -2.39 3.38 -1.05 0.09 115.31 116.21 3gbx h LEU 77 Ca 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3gbx h LEU 77 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3gbx h LEU 77 CO 0.04 0.96 0.01 0.00 0.09 0.00 0.00 178.44 179.55 3gbx h ALA 78 N 1.06 0.33 -0.39 1.53 0.00 -1.18 -0.45 119.26 120.15 3gbx h ALA 78 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gbx h ALA 78 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3gbx h ALA 78 CO 0.00 0.04 0.23 0.82 0.00 0.00 0.00 179.25 180.34 3gbx h ILE 79 N 0.20 1.04 -0.52 0.00 2.04 -1.03 -0.08 117.51 119.17 3gbx h ILE 79 Ca 0.07 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3gbx h ILE 79 Cb 0.39 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3gbx h ILE 79 CO 0.01 0.09 -0.05 0.44 0.00 0.00 0.00 178.15 178.64 3gbx h ASP 80 N 0.47 0.94 0.18 1.72 3.32 -0.84 -1.69 116.42 120.53 3gbx h ASP 80 Ca 0.16 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.76 3gbx h ASP 80 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3gbx h ASP 80 CO -0.07 1.05 -0.41 0.03 -1.72 0.00 0.00 179.24 178.12 3gbx h ARG 81 N 0.81 0.30 -0.29 3.56 3.08 -0.94 -0.95 114.38 119.95 3gbx h ARG 81 Ca 0.14 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3gbx h ARG 81 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gbx h ARG 81 CO 0.04 0.66 -0.05 0.00 -1.07 0.00 0.00 179.97 179.55 3gbx h ALA 82 N 1.33 0.40 -0.56 0.04 0.00 -0.79 -0.40 119.26 119.28 3gbx h ALA 82 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gbx h ALA 82 Cb 0.83 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3gbx h ALA 82 CO 0.07 0.19 0.26 0.87 0.00 0.00 0.00 179.25 180.64 3gbx h LYS 83 N 0.31 0.81 -0.15 0.00 1.57 -1.08 -2.41 116.57 115.63 3gbx h LYS 83 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gbx h LYS 83 Cb 0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3gbx h LYS 83 CO 0.02 0.67 0.05 1.49 -0.57 0.00 0.00 179.45 181.12 3gbx h GLU 84 N 0.75 0.24 -0.68 3.15 4.81 -0.97 0.15 114.58 122.03 3gbx h GLU 84 Ca 0.19 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3gbx h GLU 84 Cb 0.14 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3gbx h GLU 84 CO -0.02 0.35 0.45 1.25 -0.73 0.00 0.00 179.01 180.31 3gbx h LEU 85 N 0.07 0.76 -1.67 1.64 5.85 -1.00 -3.20 115.31 117.76 3gbx h LEU 85 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gbx h LEU 85 Cb 0.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3gbx h LEU 85 CO -0.00 0.55 0.00 0.49 -0.34 0.00 0.00 178.44 179.13 3gbx n PHE 86 N -4.63 0.04 -3.39 1.25 3.72 -0.91 -4.83 117.46 108.71 3gbx n PHE 86 Ca 0.06 -0.03 -0.19 0.00 -0.05 0.00 0.00 57.45 57.24 3gbx n PHE 86 Cb 0.04 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.64 3gbx n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gbx n GLY 87 N 0.85 -0.31 3.91 1.37 0.00 0.46 -4.81 105.19 106.66 3gbx n GLY 87 Ca 0.09 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3gbx n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbx s ALA 88 N -3.28 3.93 -2.44 4.61 0.00 -0.83 -4.87 121.76 118.87 3gbx s ALA 88 Ca 0.40 -0.73 0.26 0.00 0.00 0.00 0.00 51.96 51.88 3gbx s ALA 88 Cb -0.17 -1.95 0.59 0.00 0.00 0.00 0.00 23.12 21.59 3gbx s ALA 88 CO 0.62 0.77 1.48 -0.40 0.00 0.00 0.00 175.76 178.23 3gbx n ASP 89 N 0.24 1.92 -3.75 0.00 5.68 -0.01 -4.66 116.55 115.98 3gbx n ASP 89 Ca -0.04 -1.53 -0.13 0.00 -0.50 0.00 0.00 54.79 52.59 3gbx n ASP 89 Cb 0.51 0.09 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 3gbx n ASP 89 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3gbx s TYR 90 N -2.16 -0.29 -0.01 2.11 5.04 -0.62 -4.99 117.35 116.42 3gbx s TYR 90 Ca 0.30 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.61 3gbx s TYR 90 Cb 0.20 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.55 3gbx s TYR 90 CO 0.39 -0.20 0.05 0.00 -1.34 0.00 0.00 175.55 174.46 3gbx s ALA 91 N 0.96 -0.12 -0.14 3.97 0.00 -1.26 -1.70 121.76 123.48 3gbx s ALA 91 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3gbx s ALA 91 Cb -0.08 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3gbx s ALA 91 CO -0.06 -0.08 -0.07 1.21 0.00 0.00 0.00 175.76 176.76 3gbx s ASN 92 N -0.45 2.47 0.00 0.00 3.84 0.58 -4.96 114.94 116.42 3gbx s ASN 92 Ca -0.05 -0.46 0.20 0.00 0.21 0.00 0.00 52.86 52.76 3gbx s ASN 92 Cb -0.03 -0.90 0.54 0.00 -0.55 0.00 0.00 41.25 40.31 3gbx s ASN 92 CO 0.00 -0.14 1.45 1.33 -2.79 0.00 0.00 177.10 176.95 3gbx n VAL 93 N 4.90 0.91 0.09 -5.21 0.24 -1.26 -1.41 118.33 116.59 3gbx n VAL 93 Ca -0.13 -0.96 -0.02 0.00 -2.04 0.00 0.00 64.34 61.19 3gbx n VAL 93 Cb 0.49 0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 3gbx n VAL 93 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3gbx h GLN 94 N 3.83 0.00 -6.97 7.34 4.20 -1.95 -3.46 115.11 118.10 3gbx h GLN 94 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3gbx h GLN 94 Cb 0.93 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.83 3gbx h GLN 94 CO 0.00 0.71 0.67 -2.30 -0.67 0.00 0.00 178.83 177.23 3gbx n PRO 95 N -3.25 2.17 0.25 1.46 -0.02 -1.26 -4.66 135.00 129.69 3gbx n PRO 95 Ca -0.01 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 3gbx n PRO 95 Cb 0.85 -2.60 0.42 0.00 -0.02 0.00 0.00 33.50 32.15 3gbx n PRO 95 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gbx h HIS 96 N 2.20 0.00 -3.43 6.00 3.86 -1.91 -0.98 115.15 120.89 3gbx h HIS 96 Ca -0.50 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.68 3gbx h HIS 96 Cb 1.27 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.65 3gbx h HIS 96 CO 0.49 0.02 -0.02 -1.54 0.86 0.00 0.00 177.93 177.74 3gbx s SER 97 N -5.97 -0.17 0.21 2.45 1.04 -1.26 -3.89 113.70 106.10 3gbx s SER 97 Ca 0.04 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 3gbx s SER 97 Cb 0.07 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.93 3gbx s SER 97 CO 0.61 -1.12 1.77 1.23 0.98 0.00 0.00 173.24 176.71 3gbx h GLY 98 N 2.21 1.24 0.92 7.32 0.00 -1.80 -1.75 103.07 111.22 3gbx h GLY 98 Ca -0.26 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.40 3gbx h GLY 98 CO 0.35 0.65 0.57 1.76 0.00 0.00 0.00 176.54 179.87 3gbx h SER 99 N 1.12 0.96 -0.43 0.19 0.02 -1.94 -0.45 113.55 113.01 3gbx h SER 99 Ca 0.25 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 3gbx h SER 99 Cb 0.24 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3gbx h SER 99 CO -0.02 0.67 -0.08 1.56 -1.14 0.00 0.00 176.83 177.83 3gbx h GLN 100 N 1.12 0.88 -0.36 3.45 7.50 -1.88 -0.66 115.11 125.16 3gbx h GLN 100 Ca 0.34 -0.29 0.02 0.00 0.50 0.00 0.00 58.65 59.22 3gbx h GLN 100 Cb -0.04 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.38 3gbx h GLN 100 CO -0.10 0.93 0.19 0.00 -1.50 0.00 0.00 178.83 178.34 3gbx h ALA 101 N 1.11 0.44 -0.37 3.87 0.00 -0.73 -1.48 119.26 122.10 3gbx h ALA 101 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gbx h ALA 101 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gbx h ALA 101 CO 0.04 -0.17 0.18 -0.91 0.00 0.00 0.00 179.25 178.38 3gbx h ASN 102 N 0.39 0.49 -0.85 0.00 2.35 -0.87 -2.52 115.58 114.58 3gbx h ASN 102 Ca 0.15 -0.13 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3gbx h ASN 102 Cb 0.04 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 3gbx h ASN 102 CO -0.09 0.49 0.49 0.15 -1.65 0.00 0.00 177.43 176.82 3gbx h PHE 103 N 0.47 0.89 -0.60 1.19 3.57 -0.89 -0.68 116.94 120.88 3gbx h PHE 103 Ca 0.13 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3gbx h PHE 103 Cb 0.13 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3gbx h PHE 103 CO -0.01 0.36 0.38 0.00 -2.23 0.00 0.00 178.31 176.81 3gbx h ALA 104 N 1.47 0.77 -0.26 2.41 0.00 -0.92 -1.40 119.26 121.34 3gbx h ALA 104 Ca 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3gbx h ALA 104 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gbx h ALA 104 CO -0.25 0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.51 3gbx h VAL 105 N 0.76 1.18 -0.58 0.00 2.07 -0.90 -0.38 116.25 118.40 3gbx h VAL 105 Ca 0.23 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3gbx h VAL 105 Cb -0.02 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3gbx h VAL 105 CO -0.08 0.18 0.35 1.88 0.02 0.00 0.00 177.57 179.92 3gbx h TYR 106 N 0.26 0.77 0.00 1.57 0.05 -0.92 -2.16 116.97 116.54 3gbx h TYR 106 Ca 0.09 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 3gbx h TYR 106 Cb 0.20 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3gbx h TYR 106 CO -0.00 0.53 -0.35 1.79 -1.05 0.00 0.00 178.16 179.07 3gbx h THR 107 N 0.78 0.69 -0.23 -2.88 1.35 -1.15 0.32 112.91 111.79 3gbx h THR 107 Ca 0.21 -1.67 -0.16 0.00 -0.55 0.00 0.00 66.41 64.24 3gbx h THR 107 Cb -0.01 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3gbx h THR 107 CO -0.04 0.35 -0.50 0.00 -0.25 0.00 0.00 175.52 175.08 3gbx h ALA 108 N 1.65 0.69 0.00 6.62 0.00 -0.75 -3.39 119.26 124.07 3gbx h ALA 108 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gbx h ALA 108 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gbx h ALA 108 CO 0.05 0.68 -1.17 1.28 0.00 0.00 0.00 179.25 180.09 3gbx n LEU 109 N -3.99 0.01 -4.63 0.00 4.77 -0.84 -4.98 117.00 107.34 3gbx n LEU 109 Ca -0.03 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.67 3gbx n LEU 109 Cb 0.58 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 3gbx n LEU 109 CO 0.47 0.00 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.43 3gbx s LEU 110 N -3.28 3.19 0.07 2.23 1.43 0.11 -5.08 118.68 117.34 3gbx s LEU 110 Ca -0.02 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3gbx s LEU 110 Cb 0.03 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3gbx s LEU 110 CO 0.21 0.06 0.09 -1.10 0.23 0.00 0.00 176.35 175.84 3gbx s GLN 111 N -3.19 2.97 0.22 1.70 -1.52 -1.26 -4.69 119.66 113.89 3gbx s GLN 111 Ca 0.28 -0.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.74 3gbx s GLN 111 Cb -0.08 -2.78 -0.15 0.00 -0.22 0.00 0.00 33.01 29.78 3gbx s GLN 111 CO 0.18 0.58 1.21 -2.30 -0.25 0.00 0.00 175.29 174.71 3gbx n PRO 112 N 0.52 1.48 -1.00 2.91 -0.02 -1.26 -1.66 135.00 135.98 3gbx n PRO 112 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3gbx n PRO 112 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3gbx n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbx n GLY 113 N 1.86 0.92 3.73 -1.23 0.00 0.06 -5.01 105.19 105.52 3gbx n GLY 113 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3gbx n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gbx s ASP 114 N -2.84 4.51 0.02 1.61 1.01 -0.67 -4.42 116.67 115.89 3gbx s ASP 114 Ca 0.00 2.31 -0.22 0.00 0.71 0.00 0.00 52.55 55.35 3gbx s ASP 114 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 3gbx s ASP 114 CO 0.00 -2.05 0.64 -0.89 0.21 0.00 0.00 175.17 173.08 3gbx s THR 115 N -1.97 4.84 -0.01 -1.27 2.01 -1.26 -0.37 115.64 117.61 3gbx s THR 115 Ca 0.74 1.35 0.05 0.00 0.31 0.00 0.00 61.69 64.13 3gbx s THR 115 Cb -0.28 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 3gbx s THR 115 CO 0.43 0.42 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.93 3gbx s VAL 116 N -0.23 1.21 -0.23 3.82 1.01 -0.19 -0.63 120.40 125.16 3gbx s VAL 116 Ca 0.33 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3gbx s VAL 116 Cb -0.19 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3gbx s VAL 116 CO 0.19 0.34 0.08 -0.22 0.00 0.00 0.00 175.10 175.49 3gbx s LEU 117 N -0.37 3.64 0.00 3.92 2.96 -1.26 -0.06 118.68 127.51 3gbx s LEU 117 Ca 0.06 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3gbx s LEU 117 Cb -0.06 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3gbx s LEU 117 CO -0.01 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3gbx n GLY 118 N 4.42 3.40 0.00 7.98 0.00 0.07 -0.08 105.19 120.98 3gbx n GLY 118 Ca -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3gbx n GLY 118 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gbx n ASN 120 N 0.00 0.00 -4.82 1.61 5.15 -0.08 0.12 115.26 117.23 3gbx n ASN 120 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 3gbx n ASN 120 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 3gbx n ASN 120 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gbx s LEU 121 N 0.00 4.15 0.00 1.20 1.02 -1.26 -1.82 118.68 121.97 3gbx s LEU 121 Ca 0.00 1.47 -0.13 0.00 0.02 0.00 0.00 54.13 55.49 3gbx s LEU 121 Cb 0.00 -4.02 -0.16 0.00 0.02 0.00 0.00 46.19 42.03 3gbx s LEU 121 CO 0.00 -0.15 1.09 0.00 0.02 0.00 0.00 176.35 177.31 3gbx n ALA 122 N 0.01 0.70 -0.55 4.21 0.00 -0.65 -4.67 120.51 119.57 3gbx n ALA 122 Ca 0.02 -1.20 0.44 0.00 0.00 0.00 0.00 53.44 52.71 3gbx n ALA 122 Cb 0.52 -2.47 0.73 0.00 0.00 0.00 0.00 19.45 18.24 3gbx n ALA 122 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gbx h PHE 135 N 8.42 0.29 -0.60 0.00 3.57 -2.03 -1.20 116.94 125.39 3gbx h PHE 135 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3gbx h PHE 135 Cb 0.36 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3gbx h PHE 135 CO 1.32 -0.14 0.35 0.66 -2.23 0.00 0.00 178.31 178.27 3gbx h SER 136 N 0.03 0.72 0.46 0.41 4.64 -1.99 -0.47 113.55 117.34 3gbx h SER 136 Ca 0.87 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 62.14 3gbx h SER 136 Cb 3.09 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 65.00 3gbx h SER 136 CO -0.26 0.56 -0.06 1.23 -0.87 0.00 0.00 176.83 177.43 3gbx h GLY 137 N 0.87 0.00 0.94 -0.77 0.00 -2.00 -1.38 103.07 100.72 3gbx h GLY 137 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.24 3gbx h GLY 137 CO -0.04 0.00 -1.75 1.70 0.00 0.00 0.00 176.54 176.45 3gbx h LYS 138 N 0.00 0.08 0.04 4.80 3.11 -1.60 -3.39 116.57 119.61 3gbx h LYS 138 Ca -0.00 -0.14 -0.31 0.00 -2.81 0.00 0.00 60.65 57.40 3gbx h LYS 138 Cb 0.31 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 3gbx h LYS 138 CO 0.01 0.72 -1.72 1.25 -2.81 0.00 0.00 179.45 176.91 3gbx h LEU 139 N 0.02 0.13 -9.24 5.20 5.85 -1.21 -3.48 115.31 112.58 3gbx h LEU 139 Ca -0.31 -0.27 -0.59 0.00 0.84 0.00 0.00 57.88 57.55 3gbx h LEU 139 Cb 2.01 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.86 3gbx h LEU 139 CO 0.09 1.24 -0.73 -0.31 -0.34 0.00 0.00 178.44 178.39 3gbx s TYR 140 N -2.60 2.25 -0.72 1.25 2.02 -0.53 -0.76 117.35 118.26 3gbx s TYR 140 Ca -0.09 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 55.99 3gbx s TYR 140 Cb 0.08 -1.08 0.10 0.00 -0.40 0.00 0.00 41.96 40.66 3gbx s TYR 140 CO 0.82 0.63 0.92 1.21 -1.57 0.00 0.00 175.55 177.56 3gbx s ASN 141 N -3.51 6.32 -0.32 2.29 2.47 0.50 -4.55 114.94 118.14 3gbx s ASN 141 Ca 0.30 -1.47 -0.21 0.00 0.42 0.00 0.00 52.86 51.91 3gbx s ASN 141 Cb -0.02 -2.37 -0.01 0.00 -1.45 0.00 0.00 41.25 37.40 3gbx s ASN 141 CO 0.14 -1.21 0.65 -0.63 -3.72 0.00 0.00 177.10 172.33 3gbx s ILE 142 N 3.15 4.91 -0.23 -5.21 -1.09 -1.26 -1.02 121.20 120.44 3gbx s ILE 142 Ca 0.22 0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 59.37 3gbx s ILE 142 Cb -0.16 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3gbx s ILE 142 CO 0.03 -0.20 0.15 -0.69 -1.23 0.00 0.00 174.94 173.01 3gbx s VAL 143 N 2.68 5.37 -0.04 2.92 1.01 0.91 -4.96 120.40 128.29 3gbx s VAL 143 Ca 0.26 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 3gbx s VAL 143 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3gbx s VAL 143 CO 0.13 0.37 0.41 -2.16 0.00 0.00 0.00 175.10 173.84 3gbx s PRO 144 N 0.91 4.04 -0.25 2.72 0.05 -1.26 -0.75 135.00 140.47 3gbx s PRO 144 Ca 0.08 0.38 -0.21 0.00 0.05 0.00 0.00 61.00 61.29 3gbx s PRO 144 Cb -0.13 -3.29 -0.02 0.00 0.05 0.00 0.00 34.50 31.12 3gbx s PRO 144 CO 0.03 0.53 0.67 -0.47 0.05 0.00 0.00 177.00 177.81 3gbx s TYR 145 N -0.55 3.30 -0.25 0.56 6.14 0.33 -4.89 117.35 121.98 3gbx s TYR 145 Ca 0.23 0.89 -0.09 0.00 0.64 0.00 0.00 57.07 58.74 3gbx s TYR 145 Cb -0.16 -2.88 -0.04 0.00 0.42 0.00 0.00 41.96 39.30 3gbx s TYR 145 CO 0.11 -0.32 0.13 0.20 0.64 0.00 0.00 175.55 176.31 3gbx s GLY 146 N 1.41 1.87 0.27 8.97 0.00 -1.26 -0.91 107.32 117.67 3gbx s GLY 146 Ca 0.28 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3gbx s GLY 146 CO 0.08 0.51 1.54 -0.42 0.00 0.00 0.00 173.10 174.82 3gbx s ILE 147 N 1.47 2.30 1.14 0.90 1.01 -0.76 -4.45 121.20 122.82 3gbx s ILE 147 Ca 0.06 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 3gbx s ILE 147 Cb -0.15 -3.16 0.26 0.00 0.01 0.00 0.00 42.46 39.42 3gbx s ILE 147 CO 0.06 0.04 1.15 -1.81 0.00 0.00 0.00 174.94 174.39 3gbx s ASP 148 N 0.51 1.48 0.53 3.58 1.01 -1.26 -1.63 116.67 120.89 3gbx s ASP 148 Ca 0.63 0.58 0.24 0.00 0.71 0.00 0.00 52.55 54.70 3gbx s ASP 148 Cb -0.46 -0.80 1.40 0.00 1.01 0.00 0.00 42.92 44.08 3gbx s ASP 148 CO 0.45 -3.77 2.03 -0.33 0.21 0.00 0.00 175.17 173.76 3gbx h GLU 149 N -2.34 0.00 -0.58 8.23 5.08 -1.95 0.14 114.58 123.15 3gbx h GLU 149 Ca -0.45 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.08 3gbx h GLU 149 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3gbx h GLU 149 CO 0.36 0.00 0.48 0.66 -1.00 0.00 0.00 179.01 179.51 3gbx h SER 150 N 0.00 0.00 -0.48 1.42 4.64 -1.98 -3.41 113.55 113.74 3gbx h SER 150 Ca 0.19 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3gbx h SER 150 Cb 0.79 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.80 3gbx h SER 150 CO -0.00 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.38 3gbx n GLY 151 N -1.60 1.12 3.15 -0.77 0.00 0.49 -3.67 105.19 103.92 3gbx n GLY 151 Ca 0.11 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3gbx n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gbx s LYS 152 N -2.70 1.32 0.22 1.61 1.02 -1.26 -4.54 119.74 115.40 3gbx s LYS 152 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 3gbx s LYS 152 Cb 0.00 -1.28 -0.09 0.00 -0.52 0.00 0.00 37.83 35.93 3gbx s LYS 152 CO 0.00 0.35 1.38 0.42 -0.92 0.00 0.00 175.35 176.57 3gbx s ILE 153 N -0.44 2.95 -0.39 2.17 1.01 -1.26 -4.52 121.20 120.73 3gbx s ILE 153 Ca 0.06 0.78 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 3gbx s ILE 153 Cb -0.07 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.96 3gbx s ILE 153 CO -0.00 0.12 0.21 -0.62 0.00 0.00 0.00 174.94 174.64 3gbx s ASP 154 N 0.38 5.57 0.33 3.58 3.68 -1.26 -4.97 116.67 123.98 3gbx s ASP 154 Ca 0.58 -1.30 0.14 0.00 2.13 0.00 0.00 52.55 54.10 3gbx s ASP 154 Cb -0.39 -1.96 0.56 0.00 -1.45 0.00 0.00 42.92 39.68 3gbx s ASP 154 CO 0.40 -0.45 1.71 1.88 0.13 0.00 0.00 175.17 178.84 3gbx h TYR 155 N 8.36 0.00 -0.76 -5.34 -1.99 -2.03 -2.63 116.97 112.59 3gbx h TYR 155 Ca -0.23 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 3gbx h TYR 155 Cb 1.09 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.78 3gbx h TYR 155 CO 0.60 0.48 0.35 -0.44 -0.00 0.00 0.00 178.16 179.14 3gbx h ASP 156 N 0.00 1.01 0.00 3.88 3.45 -2.03 -1.02 116.42 121.71 3gbx h ASP 156 Ca -0.00 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.31 3gbx h ASP 156 Cb 0.92 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3gbx h ASP 156 CO 0.06 0.87 0.00 -0.62 -1.57 0.00 0.00 179.24 177.99 3gbx n GLU 157 N -4.37 0.74 0.00 3.56 -0.58 -0.99 -1.81 120.64 117.18 3gbx n GLU 157 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3gbx n GLU 157 Cb 0.15 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 3gbx n GLU 157 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gbx n ALA 159 N 1.03 0.00 -0.27 0.62 0.00 -0.39 -1.19 120.51 120.31 3gbx n ALA 159 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3gbx n ALA 159 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.87 3gbx n ALA 159 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gbx h LYS 160 N 0.00 1.15 -0.38 0.00 6.56 -1.63 -0.88 116.57 121.38 3gbx h LYS 160 Ca 0.00 -0.24 -0.02 0.00 -1.06 0.00 0.00 60.65 59.32 3gbx h LYS 160 Cb 0.00 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 3gbx h LYS 160 CO 0.00 0.97 0.15 -0.07 -2.06 0.00 0.00 179.45 178.44 3gbx h LEU 161 N 1.09 0.53 -0.35 2.94 3.38 -1.45 0.08 115.31 121.54 3gbx h LEU 161 Ca 0.24 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3gbx h LEU 161 Cb 0.30 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3gbx h LEU 161 CO -0.01 0.56 0.03 0.00 0.09 0.00 0.00 178.44 179.11 3gbx h ALA 162 N 0.99 0.34 -0.42 1.53 0.00 -1.79 -0.06 119.26 119.84 3gbx h ALA 162 Ca 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3gbx h ALA 162 Cb 0.20 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gbx h ALA 162 CO -0.01 -0.37 0.09 0.87 0.00 0.00 0.00 179.25 179.83 3gbx h LYS 163 N 0.14 0.63 -0.11 0.00 1.79 -0.96 0.12 116.57 118.17 3gbx h LYS 163 Ca 0.17 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.37 3gbx h LYS 163 Cb 0.21 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3gbx h LYS 163 CO -0.25 0.58 -0.53 1.49 -1.08 0.00 0.00 179.45 179.66 3gbx h GLU 164 N 0.61 0.56 0.00 3.15 4.81 -0.48 -3.36 114.58 119.87 3gbx h GLU 164 Ca 0.14 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3gbx h GLU 164 Cb 0.25 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3gbx h GLU 164 CO -0.00 1.07 -1.61 0.72 -0.73 0.00 0.00 179.01 178.46 3gbx n HIS 165 N -4.20 0.06 -3.85 0.92 8.25 -0.08 -5.01 115.22 111.30 3gbx n HIS 165 Ca -0.08 0.02 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 3gbx n HIS 165 Cb 0.61 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.36 3gbx n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gbx n LYS 166 N -2.05 -1.52 -1.66 -0.41 4.76 0.40 -4.92 118.16 112.77 3gbx n LYS 166 Ca -0.01 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.44 3gbx n LYS 166 Cb 0.49 -3.87 0.06 0.00 -1.84 0.00 0.00 35.03 29.87 3gbx n LYS 166 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3gbx s PRO 167 N -6.47 2.58 0.00 1.97 0.04 -1.26 -4.85 135.00 127.01 3gbx s PRO 167 Ca 0.35 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.98 3gbx s PRO 167 Cb -0.14 -1.91 0.49 0.00 0.04 0.00 0.00 34.50 32.98 3gbx s PRO 167 CO 0.90 -1.44 1.18 1.17 0.04 0.00 0.00 177.00 178.85 3gbx n LYS 168 N -2.50 0.84 -3.72 4.56 3.00 0.20 -4.51 118.16 116.04 3gbx n LYS 168 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 3gbx n LYS 168 Cb 0.51 -1.15 -0.13 0.00 0.00 0.00 0.00 35.03 34.26 3gbx n LYS 168 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3gbx s ILE 170 N -2.00 -0.09 -0.25 3.15 1.01 0.30 -1.21 121.20 122.10 3gbx s ILE 170 Ca 0.12 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3gbx s ILE 170 Cb 0.06 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3gbx s ILE 170 CO 0.10 0.07 0.07 -0.63 0.00 0.00 0.00 174.94 174.54 3gbx s ILE 171 N 1.43 4.28 0.15 2.92 1.01 0.89 -1.31 121.20 130.57 3gbx s ILE 171 Ca -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3gbx s ILE 171 Cb -0.11 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3gbx s ILE 171 CO -0.09 0.33 0.24 -0.83 0.00 0.00 0.00 174.94 174.59 3gbx s GLY 172 N 1.61 1.72 0.00 6.18 0.00 0.59 -4.51 107.32 112.91 3gbx s GLY 172 Ca 0.06 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3gbx s GLY 172 CO 0.03 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.66 3gbx n GLY 173 N -0.46 3.65 3.27 0.20 0.00 -1.26 -1.08 105.19 109.51 3gbx n GLY 173 Ca -0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 3gbx n GLY 173 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gbx s PHE 174 N -0.04 -0.47 0.44 1.61 5.36 -1.26 -4.92 117.98 118.69 3gbx s PHE 174 Ca 0.00 1.10 0.38 0.00 -0.96 0.00 0.00 56.93 57.44 3gbx s PHE 174 Cb 0.00 0.17 1.90 0.00 -0.34 0.00 0.00 43.02 44.75 3gbx s PHE 174 CO 0.00 -0.24 2.19 0.66 -1.46 0.00 0.00 175.22 176.37 3gbx h SER 175 N 5.98 0.00 -0.24 6.13 4.64 -1.99 -3.21 113.55 124.86 3gbx h SER 175 Ca -0.30 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.82 3gbx h SER 175 Cb 1.18 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 3gbx h SER 175 CO 0.27 0.02 -0.76 0.00 -0.87 0.00 0.00 176.83 175.49 3gbx n ALA 176 N -2.13 3.62 -2.97 5.18 0.00 -1.26 -5.03 120.51 117.91 3gbx n ALA 176 Ca -0.02 -3.17 -0.35 0.00 0.00 0.00 0.00 53.44 49.90 3gbx n ALA 176 Cb 0.18 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 3gbx n ALA 176 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3gbx s TYR 177 N -2.75 3.10 -2.28 0.00 6.04 -1.22 -4.82 117.35 115.42 3gbx s TYR 177 Ca 0.39 -0.26 0.25 0.00 0.04 0.00 0.00 57.07 57.49 3gbx s TYR 177 Cb 0.38 -2.09 0.51 0.00 -1.04 0.00 0.00 41.96 39.72 3gbx s TYR 177 CO -0.06 -0.11 1.42 -1.13 -1.54 0.00 0.00 175.55 174.14 3gbx n SER 178 N 4.03 1.83 -4.51 4.32 3.41 -1.26 -4.92 113.62 116.52 3gbx n SER 178 Ca -0.17 -1.44 -0.26 0.00 -0.26 0.00 0.00 58.87 56.74 3gbx n SER 178 Cb 0.52 0.16 0.13 0.00 -0.26 0.00 0.00 64.21 64.76 3gbx n SER 178 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gbx s GLY 179 N -2.26 1.76 -0.17 5.00 0.00 -1.26 0.24 107.32 110.63 3gbx s GLY 179 Ca 0.27 -1.54 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 3gbx s GLY 179 CO 0.44 -0.92 0.11 0.14 0.00 0.00 0.00 173.10 172.87 3gbx s VAL 180 N -3.38 5.20 -0.07 1.40 1.01 -1.26 -4.78 120.40 118.52 3gbx s VAL 180 Ca 0.68 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 3gbx s VAL 180 Cb -0.05 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3gbx s VAL 180 CO 0.47 0.49 0.52 -0.69 0.00 0.00 0.00 175.10 175.89 3gbx s VAL 181 N 0.05 5.09 -1.02 2.92 1.01 -1.26 -5.01 120.40 122.18 3gbx s VAL 181 Ca 0.08 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.92 3gbx s VAL 181 Cb -0.12 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.50 3gbx s VAL 181 CO -0.00 0.37 1.34 -0.62 0.00 0.00 0.00 175.10 176.18 3gbx s ASP 182 N 0.28 6.64 0.38 3.32 -1.08 -1.26 -4.85 116.67 120.09 3gbx s ASP 182 Ca 0.28 -1.94 0.06 0.00 -0.52 0.00 0.00 52.55 50.44 3gbx s ASP 182 Cb -0.16 -2.48 0.74 0.00 -1.46 0.00 0.00 42.92 39.56 3gbx s ASP 182 CO 0.13 -1.22 1.96 -0.50 0.52 0.00 0.00 175.17 176.06 3gbx h TRP 183 N 8.94 0.47 -0.73 -5.34 -0.00 -1.95 -2.08 115.95 115.27 3gbx h TRP 183 Ca 0.21 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.08 3gbx h TRP 183 Cb 0.99 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 3gbx h TRP 183 CO 1.23 0.42 0.45 0.00 -0.00 0.00 0.00 178.44 180.53 3gbx h ALA 184 N 1.63 0.93 0.00 1.49 0.00 -1.93 -0.19 119.26 121.19 3gbx h ALA 184 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gbx h ALA 184 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gbx h ALA 184 CO -0.00 0.39 0.00 1.17 0.00 0.00 0.00 179.25 180.81 3gbx n LYS 185 N -4.53 0.47 0.00 0.00 3.00 -0.78 -2.08 118.16 114.23 3gbx n LYS 185 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3gbx n LYS 185 Cb 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 33.82 3gbx n LYS 185 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3gbx n ARG 187 N 0.86 0.00 -0.21 1.64 3.00 -0.08 -1.91 116.66 119.96 3gbx n ARG 187 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 3gbx n ARG 187 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.72 3gbx n ARG 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3gbx h GLU 188 N 0.00 0.97 -0.19 -0.14 4.81 -1.69 0.36 114.58 118.70 3gbx h GLU 188 Ca 0.00 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3gbx h GLU 188 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3gbx h GLU 188 CO 0.00 0.91 0.01 0.82 -0.73 0.00 0.00 179.01 180.02 3gbx h ILE 189 N 0.88 1.24 -0.21 2.32 2.04 -1.67 -0.22 117.51 121.89 3gbx h ILE 189 Ca 0.18 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3gbx h ILE 189 Cb 0.39 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3gbx h ILE 189 CO 0.01 0.25 -0.16 0.00 0.00 0.00 0.00 178.15 178.25 3gbx h ALA 190 N 0.79 -0.01 -0.62 1.87 0.00 -1.80 -2.77 119.26 116.72 3gbx h ALA 190 Ca 0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gbx h ALA 190 Cb 0.36 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3gbx h ALA 190 CO 0.01 -0.58 0.38 -0.44 0.00 0.00 0.00 179.25 178.61 3gbx h ASP 191 N -0.16 0.73 0.32 0.00 3.32 -0.78 -0.01 116.42 119.83 3gbx h ASP 191 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gbx h ASP 191 Cb 0.34 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gbx h ASP 191 CO -0.31 0.56 0.00 0.77 -1.72 0.00 0.00 179.24 178.54 3gbx h SER 192 N 0.84 0.00 0.00 6.45 4.64 -0.74 -1.75 113.55 123.00 3gbx h SER 192 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3gbx h SER 192 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3gbx h SER 192 CO -0.04 0.00 -0.06 2.30 -0.87 0.00 0.00 176.83 178.16 3gbx n ILE 193 N -2.59 1.03 -2.56 0.95 -5.35 -0.67 -5.01 119.36 105.16 3gbx n ILE 193 Ca -0.01 -1.15 -0.18 0.00 -0.27 0.00 0.00 62.75 61.14 3gbx n ILE 193 Cb 0.13 0.33 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 3gbx n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gbx n GLY 194 N -0.67 -0.35 3.94 3.28 0.00 -0.60 -4.96 105.19 105.83 3gbx n GLY 194 Ca 0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3gbx n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbx s ALA 195 N -2.96 3.82 0.36 4.61 0.00 -0.12 -4.97 121.76 122.50 3gbx s ALA 195 Ca 0.10 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 3gbx s ALA 195 Cb -0.05 -1.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 3gbx s ALA 195 CO 0.13 0.29 1.11 0.71 0.00 0.00 0.00 175.76 178.00 3gbx s TYR 196 N -2.00 3.30 -0.30 0.00 2.02 -0.35 -4.29 117.35 115.75 3gbx s TYR 196 Ca 0.38 1.63 -0.10 0.00 -0.37 0.00 0.00 57.07 58.60 3gbx s TYR 196 Cb -0.10 -3.29 -0.03 0.00 -0.40 0.00 0.00 41.96 38.14 3gbx s TYR 196 CO 0.31 -0.87 0.17 -1.17 -1.57 0.00 0.00 175.55 172.42 3gbx s LEU 197 N -2.15 4.05 -0.18 -1.29 2.96 -1.26 -0.54 118.68 120.26 3gbx s LEU 197 Ca 0.53 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3gbx s LEU 197 Cb -0.29 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3gbx s LEU 197 CO 0.37 -0.12 -0.07 0.12 -1.32 0.00 0.00 176.35 175.32 3gbx s PHE 198 N 1.69 2.92 -0.13 5.38 5.36 -0.43 -0.16 117.98 132.61 3gbx s PHE 198 Ca 0.06 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.28 3gbx s PHE 198 Cb -0.16 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 3gbx s PHE 198 CO 0.08 -0.36 -0.16 0.08 -1.46 0.00 0.00 175.22 173.40 3gbx s VAL 199 N 0.93 2.73 0.47 3.12 1.01 -0.81 -0.30 120.40 127.54 3gbx s VAL 199 Ca -0.01 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.28 3gbx s VAL 199 Cb -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3gbx s VAL 199 CO 0.00 0.53 0.64 -0.62 0.00 0.00 0.00 175.10 175.65 3gbx s ASP 200 N 0.49 5.50 0.00 3.32 -1.08 -0.24 -1.43 116.67 123.23 3gbx s ASP 200 Ca -0.11 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.43 3gbx s ASP 200 Cb -0.16 -0.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.85 3gbx s ASP 200 CO 0.05 -0.93 0.00 0.00 0.52 0.00 0.00 175.17 174.81 3gbx n ALA 202 N -1.98 0.00 0.85 3.66 0.00 -1.26 -4.24 120.51 117.54 3gbx n ALA 202 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3gbx n ALA 202 Cb 0.60 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.58 3gbx n ALA 202 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gbx n HIS 203 N 0.00 0.23 -0.98 0.00 8.25 -1.26 -4.02 115.22 117.44 3gbx n HIS 203 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3gbx n HIS 203 Cb 0.00 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.49 3gbx n HIS 203 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3gbx n VAL 204 N -1.69 0.02 -0.35 1.59 0.24 -1.26 -4.82 118.33 112.04 3gbx n VAL 204 Ca 0.06 -0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.43 3gbx n VAL 204 Cb 0.34 1.03 0.26 0.00 -1.47 0.00 0.00 33.84 34.00 3gbx n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbx h ALA 205 N 0.00 1.55 -0.33 2.33 0.00 -1.94 -1.48 119.26 119.38 3gbx h ALA 205 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3gbx h ALA 205 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gbx h ALA 205 CO 0.00 0.12 -0.30 0.78 0.00 0.00 0.00 179.25 179.85 3gbx h GLY 206 N 0.90 0.76 0.97 0.00 0.00 -1.90 0.97 103.07 104.78 3gbx h GLY 206 Ca 0.52 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3gbx h GLY 206 CO -0.31 0.63 0.05 1.41 0.00 0.00 0.00 176.54 178.33 3gbx h LEU 207 N 0.60 0.75 -0.37 3.11 4.07 -1.64 -2.01 115.31 119.82 3gbx h LEU 207 Ca 0.07 -0.27 0.01 0.00 0.08 0.00 0.00 57.88 57.77 3gbx h LEU 207 Cb 0.81 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 3gbx h LEU 207 CO 0.07 0.83 0.23 0.40 -1.08 0.00 0.00 178.44 178.89 3gbx h ILE 208 N 0.63 1.06 -0.97 1.22 2.04 -1.02 -1.42 117.51 119.05 3gbx h ILE 208 Ca 0.14 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.98 3gbx h ILE 208 Cb 0.42 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 3gbx h ILE 208 CO 0.01 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.86 3gbx h ALA 209 N 1.15 1.66 0.00 1.87 0.00 -0.68 -1.15 119.26 122.12 3gbx h ALA 209 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gbx h ALA 209 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gbx h ALA 209 CO -0.05 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3gbx n ALA 210 N -2.37 2.33 -1.04 0.00 0.00 -0.77 -4.94 120.51 113.71 3gbx n ALA 210 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 3gbx n ALA 210 Cb 0.44 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 3gbx n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbx n GLY 211 N 1.36 0.52 0.91 0.00 0.00 -0.43 -4.90 105.19 102.64 3gbx n GLY 211 Ca 0.08 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3gbx n GLY 211 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gbx n VAL 212 N -2.90 0.04 -3.86 1.61 0.24 -0.57 -4.88 118.33 108.02 3gbx n VAL 212 Ca -0.01 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.65 3gbx n VAL 212 Cb 0.08 1.43 -0.13 0.00 -1.47 0.00 0.00 33.84 33.75 3gbx n VAL 212 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3gbx s TYR 213 N -1.83 -0.05 0.45 6.34 5.04 -1.15 -4.94 117.35 121.21 3gbx s TYR 213 Ca 0.27 0.12 -0.25 0.00 -2.44 0.00 0.00 57.07 54.77 3gbx s TYR 213 Cb 0.19 0.00 -0.08 0.00 0.35 0.00 0.00 41.96 42.42 3gbx s TYR 213 CO 0.28 -0.07 1.37 -1.25 -1.34 0.00 0.00 175.55 174.54 3gbx s PRO 214 N -0.21 3.69 -0.09 4.97 0.04 -1.26 -4.18 135.00 137.97 3gbx s PRO 214 Ca -0.03 2.29 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 3gbx s PRO 214 Cb -0.02 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3gbx s PRO 214 CO 0.00 -0.77 0.75 1.21 0.04 0.00 0.00 177.00 178.23 3gbx s ASN 215 N -0.67 7.00 0.00 6.66 3.84 -1.26 -4.88 114.94 125.62 3gbx s ASN 215 Ca 0.61 1.21 0.28 0.00 0.21 0.00 0.00 52.86 55.17 3gbx s ASN 215 Cb -0.41 -2.43 1.07 0.00 -0.55 0.00 0.00 41.25 38.93 3gbx s ASN 215 CO 0.52 -0.19 1.80 -0.81 -2.79 0.00 0.00 177.10 175.63 3gbx n PRO 216 N 4.15 0.11 -0.33 0.43 -0.04 -1.26 -4.25 135.00 133.81 3gbx n PRO 216 Ca 0.01 -0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 3gbx n PRO 216 Cb 0.51 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 3gbx n PRO 216 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gbx h VAL 217 N 0.07 1.04 0.00 0.52 2.07 -1.91 0.09 116.25 118.12 3gbx h VAL 217 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3gbx h VAL 217 Cb 0.47 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3gbx h VAL 217 CO 0.00 0.19 0.00 -2.65 0.02 0.00 0.00 177.57 175.13 3gbx n PRO 218 N -4.51 0.89 -0.00 1.57 -0.02 -1.26 -4.16 135.00 127.51 3gbx n PRO 218 Ca 0.15 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3gbx n PRO 218 Cb 0.23 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3gbx n PRO 218 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gbx n HIS 219 N -1.03 0.00 -1.96 6.00 8.25 -0.38 -5.05 115.22 121.05 3gbx n HIS 219 Ca 0.22 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.36 3gbx n HIS 219 Cb 0.12 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.23 3gbx n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gbx s ALA 220 N -2.00 3.01 0.19 -1.41 0.00 -0.12 -4.74 121.76 116.68 3gbx s ALA 220 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 3gbx s ALA 220 Cb 0.00 -3.11 0.11 0.00 0.00 0.00 0.00 23.12 20.12 3gbx s ALA 220 CO 0.00 -0.67 1.50 0.45 0.00 0.00 0.00 175.76 177.04 3gbx h HIS 221 N -0.05 0.66 -3.33 0.00 3.86 -0.90 -3.44 115.15 111.95 3gbx h HIS 221 Ca -0.45 -0.24 -0.12 0.00 -1.16 0.00 0.00 60.37 58.40 3gbx h HIS 221 Cb 1.19 -0.12 -0.19 0.00 1.06 0.00 0.00 27.41 29.35 3gbx h HIS 221 CO 0.64 0.97 -0.35 0.54 0.86 0.00 0.00 177.93 180.59 3gbx s VAL 222 N -3.93 0.08 -0.01 2.45 0.11 -1.16 -4.60 120.40 113.35 3gbx s VAL 222 Ca -0.07 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3gbx s VAL 222 Cb 0.11 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3gbx s VAL 222 CO 0.84 -0.37 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.45 3gbx s VAL 223 N -1.88 0.77 0.35 2.04 1.01 0.11 -1.92 120.40 120.88 3gbx s VAL 223 Ca -0.10 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3gbx s VAL 223 Cb -0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 3gbx s VAL 223 CO 0.00 0.22 -0.04 0.42 0.00 0.00 0.00 175.10 175.70 3gbx s THR 224 N -0.19 1.95 0.13 3.92 -4.23 -0.51 -0.37 115.64 116.34 3gbx s THR 224 Ca 0.03 -2.11 -0.24 0.00 -1.18 0.00 0.00 61.69 58.19 3gbx s THR 224 Cb -0.04 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 71.15 3gbx s THR 224 CO -0.00 -0.14 0.70 0.28 -0.54 0.00 0.00 174.62 174.92 3gbx s THR 225 N -2.79 0.00 0.50 3.99 -1.32 -0.67 -3.99 115.64 111.36 3gbx s THR 225 Ca 0.33 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.64 3gbx s THR 225 Cb 0.05 -1.15 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 3gbx s THR 225 CO 0.16 0.00 0.78 0.42 -2.21 0.00 0.00 174.62 173.77 3gbx s THR 226 N -3.58 4.27 -2.64 5.08 -4.23 -1.26 -1.38 115.64 111.90 3gbx s THR 226 Ca 0.04 -0.08 0.24 0.00 -1.18 0.00 0.00 61.69 60.70 3gbx s THR 226 Cb -0.02 -3.63 0.12 0.00 1.34 0.00 0.00 72.50 70.31 3gbx s THR 226 CO -0.09 -0.57 1.20 0.35 -0.54 0.00 0.00 174.62 174.97 3gbx n THR 227 N -2.29 0.00 0.17 3.99 -2.24 -0.49 -4.77 114.28 108.64 3gbx n THR 227 Ca 0.02 -0.41 0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3gbx n THR 227 Cb 0.57 1.40 -0.13 0.00 -2.10 0.00 0.00 70.33 70.07 3gbx n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbx n HIS 228 N 0.83 0.00 0.00 4.78 1.44 -1.02 -0.31 115.22 120.95 3gbx n HIS 228 Ca 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 3gbx n HIS 228 Cb 0.55 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.33 3gbx n HIS 228 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3gbx n LYS 229 N -1.98 0.00 0.30 -1.40 5.02 -1.26 -3.63 118.16 115.21 3gbx n LYS 229 Ca -0.02 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.46 3gbx n LYS 229 Cb 0.43 0.00 0.89 0.00 -0.02 0.00 0.00 35.03 36.33 3gbx n LYS 229 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3gbx h THR 230 N 0.00 0.04 0.00 -0.18 1.35 -1.85 -1.27 112.91 111.00 3gbx h THR 230 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3gbx h THR 230 Cb 0.00 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3gbx h THR 230 CO 0.00 0.01 0.00 -0.07 -0.25 0.00 0.00 175.52 175.21 3gbx h LEU 231 N 0.00 0.00 1.37 3.87 3.38 -1.81 -3.37 115.31 118.75 3gbx h LEU 231 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3gbx h LEU 231 Cb 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3gbx h LEU 231 CO 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.21 3gbx n ALA 232 N -1.93 -0.32 -2.20 1.53 0.00 -0.48 -4.91 120.51 112.20 3gbx n ALA 232 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3gbx n ALA 232 Cb 0.39 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3gbx n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbx n GLY 233 N -1.10 2.42 3.81 0.00 0.00 0.58 -4.29 105.19 106.61 3gbx n GLY 233 Ca -0.16 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 3gbx n GLY 233 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gbx s PRO 234 N 2.31 2.58 0.13 1.61 0.04 -1.25 -4.09 135.00 136.33 3gbx s PRO 234 Ca 0.00 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.58 3gbx s PRO 234 Cb 0.00 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 3gbx s PRO 234 CO 0.00 -1.32 1.32 1.03 0.04 0.00 0.00 177.00 178.07 3gbx s ARG 235 N -5.08 4.37 0.00 4.56 0.52 -1.26 -2.43 118.95 119.63 3gbx s ARG 235 Ca 0.59 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 3gbx s ARG 235 Cb -0.14 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.07 3gbx s ARG 235 CO 0.55 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.94 3gbx n GLY 236 N 3.08 0.60 3.69 -3.53 0.00 -1.25 -4.90 105.19 102.88 3gbx n GLY 236 Ca 0.09 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 3gbx n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbx s GLY 237 N 0.00 2.19 -0.13 -0.02 0.00 -0.37 -1.39 107.32 107.60 3gbx s GLY 237 Ca 0.00 -2.02 -0.18 0.00 0.00 0.00 0.00 44.72 42.52 3gbx s GLY 237 CO 0.00 -1.89 0.46 1.08 0.00 0.00 0.00 173.10 172.74 3gbx s LEU 238 N -3.82 0.25 -0.06 0.66 1.43 -0.48 -4.09 118.68 112.58 3gbx s LEU 238 Ca 0.38 0.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 3gbx s LEU 238 Cb 0.02 1.64 -0.01 0.00 0.03 0.00 0.00 46.19 47.86 3gbx s LEU 238 CO 0.21 -0.27 -0.24 -0.63 0.23 0.00 0.00 176.35 175.65 3gbx s ILE 239 N -0.24 2.13 0.07 -0.59 1.01 -0.50 -1.68 121.20 121.41 3gbx s ILE 239 Ca -0.04 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.62 3gbx s ILE 239 Cb -0.03 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3gbx s ILE 239 CO 0.02 0.57 -0.14 -0.76 0.00 0.00 0.00 174.94 174.63 3gbx s LEU 240 N -0.15 2.29 0.10 2.97 1.43 0.50 -0.31 118.68 125.51 3gbx s LEU 240 Ca -0.04 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.24 3gbx s LEU 240 Cb -0.14 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 45.63 3gbx s LEU 240 CO 0.04 -0.09 0.48 0.00 0.23 0.00 0.00 176.35 177.01 3gbx s ALA 241 N -1.34 -1.21 -0.00 4.21 0.00 -0.69 -0.71 121.76 122.02 3gbx s ALA 241 Ca -0.02 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 3gbx s ALA 241 Cb -0.10 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3gbx s ALA 241 CO 0.02 -0.61 0.00 0.21 0.00 0.00 0.00 175.76 175.39 3gbx s LYS 242 N -3.23 0.00 -0.34 0.00 2.20 -1.26 -0.83 119.74 116.28 3gbx s LYS 242 Ca -0.01 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3gbx s LYS 242 Cb 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 3gbx s LYS 242 CO -0.08 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 3gbx n GLY 243 N 3.12 0.60 3.94 5.54 0.00 -1.26 -4.93 105.19 112.20 3gbx n GLY 243 Ca -0.13 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3gbx n GLY 243 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbx s GLY 244 N -2.43 1.71 0.39 -0.02 0.00 -1.26 -5.09 107.32 100.63 3gbx s GLY 244 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.73 3gbx s GLY 244 CO 0.00 -0.62 0.60 0.51 0.00 0.00 0.00 173.10 173.59 3gbx s ASP 245 N -4.50 6.06 0.46 1.64 1.47 -1.26 -4.98 116.67 115.56 3gbx s ASP 245 Ca 0.60 0.32 0.20 0.00 1.18 0.00 0.00 52.55 54.84 3gbx s ASP 245 Cb -0.11 -1.74 1.17 0.00 -0.34 0.00 0.00 42.92 41.90 3gbx s ASP 245 CO 0.43 -0.49 1.92 -0.33 0.68 0.00 0.00 175.17 177.38 3gbx h GLU 246 N 0.61 0.28 -0.66 2.11 4.39 -1.99 -2.00 114.58 117.32 3gbx h GLU 246 Ca -0.48 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 3gbx h GLU 246 Cb 1.24 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3gbx h GLU 246 CO 0.59 0.19 0.21 0.93 -1.16 0.00 0.00 179.01 179.76 3gbx h GLU 247 N 0.29 1.03 -0.07 2.33 3.07 -1.99 0.17 114.58 119.41 3gbx h GLU 247 Ca 0.38 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3gbx h GLU 247 Cb 1.04 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3gbx h GLU 247 CO -0.10 0.90 0.03 1.25 -1.40 0.00 0.00 179.01 179.69 3gbx h LEU 248 N 0.96 0.10 -1.30 1.33 5.85 -1.77 -1.73 115.31 118.75 3gbx h LEU 248 Ca 0.21 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gbx h LEU 248 Cb 0.30 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3gbx h LEU 248 CO -0.01 0.24 0.41 1.88 -0.34 0.00 0.00 178.44 180.63 3gbx h TYR 249 N -0.06 0.85 -0.37 1.25 0.05 -1.13 -0.57 116.97 116.99 3gbx h TYR 249 Ca 0.02 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 3gbx h TYR 249 Cb 0.18 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3gbx h TYR 249 CO -0.01 0.56 -0.20 0.87 -1.05 0.00 0.00 178.16 178.32 3gbx h LYS 250 N 0.90 0.79 -0.79 4.88 6.56 -0.84 -1.28 116.57 126.80 3gbx h LYS 250 Ca 0.24 -0.36 -0.02 0.00 -1.06 0.00 0.00 60.65 59.46 3gbx h LYS 250 Cb -0.06 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.55 3gbx h LYS 250 CO -0.05 0.98 0.43 0.87 -2.06 0.00 0.00 179.45 179.62 3gbx h LYS 251 N 0.59 1.09 -0.35 3.15 1.57 -0.62 -1.91 116.57 120.10 3gbx h LYS 251 Ca 0.08 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3gbx h LYS 251 Cb 0.76 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3gbx h LYS 251 CO 0.06 0.80 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.51 3gbx h LEU 252 N 1.10 0.74 -0.55 2.94 3.38 -0.92 -1.44 115.31 120.56 3gbx h LEU 252 Ca 0.28 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gbx h LEU 252 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3gbx h LEU 252 CO -0.04 0.98 0.37 0.78 0.09 0.00 0.00 178.44 180.61 3gbx h ASN 253 N 0.50 0.63 0.78 -0.43 2.35 -1.05 -2.41 115.58 115.95 3gbx h ASN 253 Ca 0.08 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3gbx h ASN 253 Cb 0.70 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3gbx h ASN 253 CO 0.05 0.46 -0.37 0.77 -1.65 0.00 0.00 177.43 176.69 3gbx h SER 254 N 0.75 0.00 1.73 5.81 4.64 -1.26 -3.04 113.55 122.18 3gbx h SER 254 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3gbx h SER 254 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3gbx h SER 254 CO -0.04 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 3gbx h ALA 255 N 1.63 1.00 0.76 5.18 0.00 -0.76 -3.36 119.26 123.72 3gbx h ALA 255 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gbx h ALA 255 Cb 0.86 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3gbx h ALA 255 CO 0.05 0.00 -0.37 0.28 0.00 0.00 0.00 179.25 179.21 3gbx h VAL 256 N 0.00 0.00 -1.17 0.00 2.07 -1.38 -3.42 116.25 112.35 3gbx h VAL 256 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3gbx h VAL 256 Cb 0.87 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3gbx h VAL 256 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 3gbx n PHE 257 N -4.83 0.00 -0.98 1.57 3.01 -1.26 -4.95 117.46 110.03 3gbx n PHE 257 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3gbx n PHE 257 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 3gbx n PHE 257 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gbx n GLY 262 N 4.83 0.27 3.98 1.37 0.00 -1.26 -5.02 105.19 109.36 3gbx n GLY 262 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3gbx n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbx s GLY 263 N -2.15 1.78 0.63 -0.02 0.00 -1.26 -5.10 107.32 101.21 3gbx s GLY 263 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 3gbx s GLY 263 CO 0.00 -1.07 1.03 2.56 0.00 0.00 0.00 173.10 175.62 3gbx s PRO 264 N -4.99 3.47 0.64 2.90 0.04 -1.26 -5.02 135.00 130.78 3gbx s PRO 264 Ca 0.62 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 3gbx s PRO 264 Cb -0.08 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.42 3gbx s PRO 264 CO 0.42 -0.64 0.93 -0.51 0.04 0.00 0.00 177.00 177.24 3gbx s LEU 265 N -5.20 3.03 0.00 -3.56 1.43 -1.26 -4.75 118.68 108.38 3gbx s LEU 265 Ca 0.55 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3gbx s LEU 265 Cb -0.11 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.98 3gbx s LEU 265 CO 0.53 -1.36 0.00 0.00 0.23 0.00 0.00 176.35 175.75 3gbx n HIS 267 N -2.69 0.00 -0.09 0.29 -0.00 -1.25 -1.19 115.22 110.28 3gbx n HIS 267 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 3gbx n HIS 267 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 3gbx n HIS 267 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3gbx h VAL 268 N 0.00 1.28 -0.82 0.61 2.07 -1.89 -2.24 116.25 115.26 3gbx h VAL 268 Ca 0.00 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 3gbx h VAL 268 Cb 0.00 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3gbx h VAL 268 CO 0.00 0.53 0.37 0.40 0.02 0.00 0.00 177.57 178.88 3gbx h ILE 269 N 0.69 1.26 -0.86 4.57 2.04 -1.50 0.35 117.51 124.06 3gbx h ILE 269 Ca 0.05 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.18 3gbx h ILE 269 Cb 1.00 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3gbx h ILE 269 CO 0.10 0.32 0.54 0.00 0.00 0.00 0.00 178.15 179.11 3gbx h ALA 270 N 1.20 1.15 -0.76 1.87 0.00 -1.82 0.55 119.26 121.45 3gbx h ALA 270 Ca 0.28 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3gbx h ALA 270 Cb 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3gbx h ALA 270 CO -0.03 0.33 0.43 0.78 0.00 0.00 0.00 179.25 180.77 3gbx h GLY 271 N 1.02 1.15 0.95 0.00 0.00 -0.35 -2.03 103.07 103.80 3gbx h GLY 271 Ca 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3gbx h GLY 271 CO -0.14 0.16 0.14 0.50 0.00 0.00 0.00 176.54 177.19 3gbx h LYS 272 N 0.77 0.65 -0.33 4.80 1.57 0.81 -1.27 116.57 123.58 3gbx h LYS 272 Ca 0.35 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3gbx h LYS 272 Cb 0.26 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3gbx h LYS 272 CO -0.21 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 3gbx h ALA 273 N 0.99 0.29 -0.17 3.86 0.00 -0.51 -0.45 119.26 123.27 3gbx h ALA 273 Ca 0.14 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 3gbx h ALA 273 Cb 0.25 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gbx h ALA 273 CO -0.01 -0.40 -0.72 -0.24 0.00 0.00 0.00 179.25 177.89 3gbx h VAL 274 N 0.09 1.30 -1.00 0.00 3.04 -1.25 -2.53 116.25 115.91 3gbx h VAL 274 Ca 0.16 -1.95 0.06 0.00 -1.01 0.00 0.00 66.70 63.96 3gbx h VAL 274 Cb 0.21 1.93 -0.06 0.00 -2.01 0.00 0.00 31.29 31.35 3gbx h VAL 274 CO -0.26 0.61 0.65 0.00 -1.01 0.00 0.00 177.57 177.56 3gbx h ALA 275 N 0.68 1.40 -0.12 3.17 0.00 -0.92 -0.20 119.26 123.26 3gbx h ALA 275 Ca -0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3gbx h ALA 275 Cb 1.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3gbx h ALA 275 CO 0.14 0.47 -0.59 -0.07 0.00 0.00 0.00 179.25 179.20 3gbx h LEU 276 N 1.19 0.44 -0.36 0.00 3.38 -0.96 -1.50 115.31 117.50 3gbx h LEU 276 Ca 0.42 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3gbx h LEU 276 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gbx h LEU 276 CO -0.16 0.93 -0.10 0.50 0.09 0.00 0.00 178.44 179.70 3gbx h LYS 277 N 0.29 0.70 -0.67 1.13 3.64 -1.12 -2.96 116.57 117.59 3gbx h LYS 277 Ca -0.00 -0.27 0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3gbx h LYS 277 Cb 1.12 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 3gbx h LYS 277 CO 0.10 0.86 0.44 0.93 -2.27 0.00 0.00 179.45 179.52 3gbx h GLU 278 N 0.50 0.43 -2.09 1.90 5.08 -0.85 -3.26 114.58 116.30 3gbx h GLU 278 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gbx h GLU 278 Cb 0.61 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3gbx h GLU 278 CO 0.04 0.29 0.01 0.00 -1.00 0.00 0.00 179.01 178.35 3gbx n ALA 279 N -2.51 2.91 -1.39 3.43 0.00 -0.58 -4.53 120.51 117.84 3gbx n ALA 279 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gbx n ALA 279 Cb 0.41 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3gbx n ALA 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gbx n GLU 281 N 1.92 -2.63 -0.31 0.00 -0.58 -1.23 -4.73 120.64 113.07 3gbx n GLU 281 Ca 0.04 1.98 0.13 0.00 -0.42 0.00 0.00 57.16 58.88 3gbx n GLU 281 Cb 0.29 -2.50 0.36 0.00 -0.57 0.00 0.00 31.44 29.01 3gbx n GLU 281 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3gbx h PRO 282 N 1.16 0.70 -0.87 3.49 0.13 -1.97 -1.27 132.00 133.37 3gbx h PRO 282 Ca 0.00 -0.04 0.16 0.00 -0.87 0.00 0.00 66.00 65.25 3gbx h PRO 282 Cb 0.11 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 31.02 3gbx h PRO 282 CO 0.00 0.46 0.57 0.93 -0.23 0.00 0.00 178.00 179.73 3gbx h GLU 283 N 0.72 0.56 -0.35 0.86 3.07 -1.98 -1.36 114.58 116.11 3gbx h GLU 283 Ca 0.51 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.20 3gbx h GLU 283 Cb 0.83 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3gbx h GLU 283 CO -0.27 0.37 -0.35 0.35 -1.40 0.00 0.00 179.01 177.71 3gbx h PHE 284 N 0.58 0.94 -0.30 4.33 3.57 -1.47 0.17 116.94 124.76 3gbx h PHE 284 Ca 0.44 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3gbx h PHE 284 Cb 0.84 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3gbx h PHE 284 CO -0.00 1.03 0.09 -0.22 -2.23 0.00 0.00 178.31 176.97 3gbx h LYS 285 N 0.66 0.47 -0.52 1.11 3.64 -1.19 -0.70 116.57 120.04 3gbx h LYS 285 Ca 0.06 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3gbx h LYS 285 Cb 0.90 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 3gbx h LYS 285 CO 0.08 0.53 0.28 0.28 -2.27 0.00 0.00 179.45 178.35 3gbx h VAL 286 N 0.32 0.98 -0.26 2.00 2.07 -1.24 -0.74 116.25 119.39 3gbx h VAL 286 Ca 0.10 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3gbx h VAL 286 Cb 0.26 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3gbx h VAL 286 CO -0.00 0.10 -0.00 0.22 0.02 0.00 0.00 177.57 177.90 3gbx h TYR 287 N 0.54 -0.02 -0.41 1.57 3.20 -0.70 -0.43 116.97 120.71 3gbx h TYR 287 Ca 0.22 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 3gbx h TYR 287 Cb 0.11 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3gbx h TYR 287 CO -0.09 -0.05 -0.15 1.96 -1.64 0.00 0.00 178.16 178.19 3gbx h GLN 288 N 0.07 0.75 -0.64 1.82 1.08 -0.84 0.10 115.11 117.46 3gbx h GLN 288 Ca 0.12 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3gbx h GLN 288 Cb 0.16 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3gbx h GLN 288 CO -0.21 0.86 0.42 1.96 -0.95 0.00 0.00 178.83 180.91 3gbx h GLN 289 N 0.67 0.77 -0.22 1.46 4.20 -0.74 -1.85 115.11 119.41 3gbx h GLN 289 Ca 0.11 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 3gbx h GLN 289 Cb 0.63 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gbx h GLN 289 CO 0.04 0.51 -0.58 0.37 -0.67 0.00 0.00 178.83 178.50 3gbx h GLN 290 N 0.80 0.70 -0.45 1.46 5.75 -0.08 -1.78 115.11 121.49 3gbx h GLN 290 Ca 0.25 -0.46 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 3gbx h GLN 290 Cb 0.01 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3gbx h GLN 290 CO -0.06 1.08 0.08 0.28 -2.65 0.00 0.00 178.83 177.55 3gbx h VAL 291 N 0.52 0.74 -0.34 2.39 2.07 -0.30 0.93 116.25 122.27 3gbx h VAL 291 Ca 0.00 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 3gbx h VAL 291 Cb 1.16 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3gbx h VAL 291 CO 0.12 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.55 3gbx h ALA 292 N 1.35 0.49 -0.79 1.67 0.00 -1.21 -1.89 119.26 118.89 3gbx h ALA 292 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gbx h ALA 292 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3gbx h ALA 292 CO -0.30 0.43 0.46 0.87 0.00 0.00 0.00 179.25 180.71 3gbx h LYS 293 N 0.52 1.08 -0.50 0.00 1.57 -1.04 -2.26 116.57 115.94 3gbx h LYS 293 Ca 0.07 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3gbx h LYS 293 Cb 0.74 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3gbx h LYS 293 CO 0.06 0.77 0.13 -0.91 -0.57 0.00 0.00 179.45 178.92 3gbx h ASN 294 N 1.08 0.76 -0.50 0.86 2.35 -0.64 -0.73 115.58 118.75 3gbx h ASN 294 Ca 0.28 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 3gbx h ASN 294 Cb -0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3gbx h ASN 294 CO -0.05 0.79 0.13 0.00 -1.65 0.00 0.00 177.43 176.65 3gbx h ALA 295 N 1.00 0.66 -0.95 -0.83 0.00 -1.21 -2.66 119.26 115.26 3gbx h ALA 295 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gbx h ALA 295 Cb 0.32 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3gbx h ALA 295 CO 0.00 0.35 0.59 0.87 0.00 0.00 0.00 179.25 181.06 3gbx h LYS 296 N 0.69 1.27 -1.24 0.00 1.57 -1.15 -1.64 116.57 116.08 3gbx h LYS 296 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gbx h LYS 296 Cb 0.32 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3gbx h LYS 296 CO 0.00 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 3gbx n ALA 297 N -2.38 1.72 0.00 3.86 0.00 -0.30 -1.57 120.51 121.84 3gbx n ALA 297 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3gbx n ALA 297 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3gbx n ALA 297 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gbx n VAL 299 N 0.67 0.00 -0.18 0.00 0.31 -0.62 -2.44 118.33 116.08 3gbx n VAL 299 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3gbx n VAL 299 Cb 0.14 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.15 3gbx n VAL 299 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gbx h GLU 300 N 0.00 0.15 -0.26 5.55 4.39 -1.57 -0.85 114.58 122.00 3gbx h GLU 300 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3gbx h GLU 300 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3gbx h GLU 300 CO 0.00 0.10 0.09 0.28 -1.16 0.00 0.00 179.01 178.32 3gbx h VAL 301 N 0.16 1.19 -0.65 3.13 2.07 -1.77 -0.11 116.25 120.27 3gbx h VAL 301 Ca 0.28 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3gbx h VAL 301 Cb 0.43 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3gbx h VAL 301 CO -0.43 0.20 0.38 -0.26 0.02 0.00 0.00 177.57 177.47 3gbx h PHE 302 N 0.25 0.70 -0.61 1.57 0.04 -1.70 -0.17 116.94 117.02 3gbx h PHE 302 Ca 0.08 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 3gbx h PHE 302 Cb 0.22 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3gbx h PHE 302 CO 0.00 0.36 0.23 -0.07 -0.60 0.00 0.00 178.31 178.23 3gbx h LEU 303 N 0.72 0.86 -1.05 1.54 3.38 -0.98 -0.38 115.31 119.39 3gbx h LEU 303 Ca 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gbx h LEU 303 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gbx h LEU 303 CO -0.15 0.81 0.00 0.78 0.09 0.00 0.00 178.44 179.97 3gbx h ASN 304 N 0.85 0.00 -0.38 -0.43 2.35 -0.13 -2.02 115.58 115.82 3gbx h ASN 304 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3gbx h ASN 304 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3gbx h ASN 304 CO -0.01 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.31 3gbx n ARG 305 N -2.42 2.39 -0.42 0.81 5.12 -0.16 -4.98 116.66 117.00 3gbx n ARG 305 Ca 0.01 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 53.83 3gbx n ARG 305 Cb 0.20 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 3gbx n ARG 305 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gbx n GLY 306 N 1.01 0.75 3.92 -0.13 0.00 -0.76 -5.06 105.19 104.93 3gbx n GLY 306 Ca 0.15 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3gbx n GLY 306 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbx s TYR 307 N -2.00 3.49 -0.11 1.61 2.02 -0.19 -5.02 117.35 117.15 3gbx s TYR 307 Ca 0.00 0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.95 3gbx s TYR 307 Cb 0.00 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3gbx s TYR 307 CO 0.00 0.47 0.24 0.15 -1.57 0.00 0.00 175.55 174.84 3gbx s LYS 308 N -2.88 3.82 -0.14 -0.62 -0.14 -1.26 -4.10 119.74 114.43 3gbx s LYS 308 Ca 0.38 0.05 -0.00 0.00 -1.36 0.00 0.00 55.97 55.03 3gbx s LYS 308 Cb -0.12 -3.28 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 3gbx s LYS 308 CO 0.27 0.58 -0.13 0.08 -0.76 0.00 0.00 175.35 175.40 3gbx s VAL 309 N -0.55 2.99 0.17 3.17 1.01 -1.26 -0.79 120.40 125.14 3gbx s VAL 309 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 61.98 61.14 3gbx s VAL 309 Cb -0.13 -2.26 -0.13 0.00 0.00 0.00 0.00 36.38 33.86 3gbx s VAL 309 CO 0.06 0.52 1.65 0.52 0.00 0.00 0.00 175.10 177.84 3gbx n VAL 310 N 3.69 0.02 -0.36 2.92 0.31 -0.30 0.51 118.33 125.12 3gbx n VAL 310 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3gbx n VAL 310 Cb 0.52 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3gbx n VAL 310 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3gbx n SER 311 N 3.74 0.00 0.00 4.52 7.64 -1.24 -3.87 113.62 124.41 3gbx n SER 311 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3gbx n SER 311 Cb 0.31 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3gbx n SER 311 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gbx n GLY 312 N -2.00 0.44 2.10 0.23 0.00 0.18 -4.92 105.19 101.22 3gbx n GLY 312 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3gbx n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbx n GLY 313 N -2.09 0.37 3.00 -0.02 0.00 -1.25 -4.95 105.19 100.25 3gbx n GLY 313 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 3gbx n GLY 313 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gbx s THR 314 N -2.06 0.17 -0.09 2.61 -1.32 -1.26 -4.83 115.64 108.85 3gbx s THR 314 Ca 0.16 -1.02 0.13 0.00 -1.21 0.00 0.00 61.69 59.75 3gbx s THR 314 Cb -0.00 -0.42 0.19 0.00 -1.51 0.00 0.00 72.50 70.76 3gbx s THR 314 CO -0.01 -0.54 1.09 -0.62 -2.21 0.00 0.00 174.62 172.33 3gbx n GLU 315 N 1.44 1.47 0.00 7.08 -0.58 0.14 -4.86 120.64 125.32 3gbx n GLU 315 Ca -0.23 -2.15 0.00 0.00 -0.42 0.00 0.00 57.16 54.36 3gbx n GLU 315 Cb 0.56 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 3gbx n GLU 315 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3gbx n ASN 316 N -1.07 0.27 -0.32 1.62 0.23 -1.23 -4.81 115.26 109.95 3gbx n ASN 316 Ca 0.11 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.28 3gbx n ASN 316 Cb 0.56 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.51 3gbx n ASN 316 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gbx n HIS 317 N 0.00 0.00 -4.25 -2.53 1.44 -1.26 -4.62 115.22 104.00 3gbx n HIS 317 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 3gbx n HIS 317 Cb 0.00 -0.08 -0.10 0.00 0.12 0.00 0.00 29.99 29.93 3gbx n HIS 317 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3gbx s LEU 318 N -2.50 1.65 0.23 2.39 0.05 -1.26 -1.30 118.68 117.93 3gbx s LEU 318 Ca 0.22 -1.32 -0.22 0.00 0.05 0.00 0.00 54.13 52.87 3gbx s LEU 318 Cb 0.19 0.12 0.04 0.00 -2.05 0.00 0.00 46.19 44.49 3gbx s LEU 318 CO 0.54 -0.72 0.66 0.72 -0.55 0.00 0.00 176.35 177.01 3gbx s PHE 319 N -3.86 -0.33 -0.17 3.48 -0.12 -0.25 -4.61 117.98 112.13 3gbx s PHE 319 Ca 0.33 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 57.18 3gbx s PHE 319 Cb 0.07 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.09 3gbx s PHE 319 CO 0.10 -1.07 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.57 3gbx s LEU 320 N -2.85 2.66 -0.19 -1.99 1.43 -1.26 -1.00 118.68 115.48 3gbx s LEU 320 Ca 0.07 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 3gbx s LEU 320 Cb -0.04 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3gbx s LEU 320 CO -0.02 0.08 0.70 -0.76 0.23 0.00 0.00 176.35 176.58 3gbx s LEU 321 N 0.87 4.16 -0.42 1.79 1.43 0.17 -1.15 118.68 125.53 3gbx s LEU 321 Ca -0.03 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 53.83 3gbx s LEU 321 Cb -0.15 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3gbx s LEU 321 CO -0.00 -0.31 0.50 -0.62 0.23 0.00 0.00 176.35 176.15 3gbx s ASP 322 N 1.18 6.24 -0.00 2.29 -1.08 0.03 -2.43 116.67 122.89 3gbx s ASP 322 Ca 0.32 -0.55 0.19 0.00 -0.52 0.00 0.00 52.55 51.99 3gbx s ASP 322 Cb -0.16 -2.25 0.56 0.00 -1.46 0.00 0.00 42.92 39.61 3gbx s ASP 322 CO 0.11 -0.64 1.47 0.18 0.52 0.00 0.00 175.17 176.81 3gbx n LEU 323 N 5.80 3.44 -0.27 -1.34 4.77 0.99 -4.04 117.00 126.35 3gbx n LEU 323 Ca -0.05 -1.72 0.01 0.00 -0.03 0.00 0.00 56.01 54.22 3gbx n LEU 323 Cb 0.48 -0.43 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 3gbx n LEU 323 CO 0.48 0.85 1.11 0.58 -1.33 0.00 0.00 177.39 179.09 3gbx h VAL 324 N 3.72 0.92 0.00 4.08 2.07 -1.80 -1.11 116.25 124.13 3gbx h VAL 324 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3gbx h VAL 324 Cb 0.87 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3gbx h VAL 324 CO 0.01 0.13 0.00 -0.90 0.02 0.00 0.00 177.57 176.83 3gbx n ASP 325 N -4.77 0.64 -0.26 0.57 5.75 -1.26 -1.66 116.55 115.56 3gbx n ASP 325 Ca 0.12 0.60 0.13 0.00 -0.01 0.00 0.00 54.79 55.63 3gbx n ASP 325 Cb 0.24 -0.76 0.45 0.00 -1.03 0.00 0.00 41.12 40.02 3gbx n ASP 325 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3gbx n LYS 326 N -2.14 0.95 -3.93 0.11 4.76 -0.45 -4.95 118.16 112.50 3gbx n LYS 326 Ca 0.04 -0.52 -0.31 0.00 -2.87 0.00 0.00 58.31 54.65 3gbx n LYS 326 Cb 0.33 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3gbx n LYS 326 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gbx n ASN 327 N -0.57 -4.15 -4.67 4.39 3.02 -0.67 -4.99 115.26 107.62 3gbx n ASN 327 Ca 0.14 -0.79 -0.28 0.00 -0.03 0.00 0.00 54.58 53.62 3gbx n ASN 327 Cb 0.33 -3.35 -0.08 0.00 -0.61 0.00 0.00 39.78 36.07 3gbx n ASN 327 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gbx s LEU 328 N -7.15 3.35 0.32 3.41 1.43 -1.16 -5.08 118.68 113.80 3gbx s LEU 328 Ca 0.65 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3gbx s LEU 328 Cb -0.34 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3gbx s LEU 328 CO 0.81 0.12 0.50 0.42 0.23 0.00 0.00 176.35 178.43 3gbx s THR 329 N -1.57 5.14 0.28 5.49 -4.23 -1.26 -4.55 115.64 114.93 3gbx s THR 329 Ca 0.27 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3gbx s THR 329 Cb -0.10 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.03 3gbx s THR 329 CO 0.18 -0.49 1.81 1.23 -0.54 0.00 0.00 174.62 176.81 3gbx h GLY 330 N 0.92 0.83 0.98 3.99 0.00 -0.65 -1.72 103.07 107.42 3gbx h GLY 330 Ca -0.50 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 3gbx h GLY 330 CO 0.62 0.47 0.26 1.70 0.00 0.00 0.00 176.54 179.59 3gbx h LYS 331 N 0.73 0.78 -0.14 4.80 3.64 -1.63 -0.71 116.57 124.05 3gbx h LYS 331 Ca 0.15 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3gbx h LYS 331 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3gbx h LYS 331 CO 0.01 0.64 0.08 1.49 -2.27 0.00 0.00 179.45 179.40 3gbx h GLU 332 N 0.73 0.20 -0.91 1.90 4.81 -1.82 -1.73 114.58 117.76 3gbx h GLU 332 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gbx h GLU 332 Cb 0.12 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3gbx h GLU 332 CO -0.02 0.21 0.58 0.00 -0.73 0.00 0.00 179.01 179.04 3gbx h ALA 333 N 0.98 1.16 -0.26 2.92 0.00 -1.12 -1.68 119.26 121.25 3gbx h ALA 333 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gbx h ALA 333 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gbx h ALA 333 CO -0.01 0.58 -0.05 0.22 0.00 0.00 0.00 179.25 179.99 3gbx h ASP 334 N 1.24 0.49 -0.45 0.00 1.82 -0.95 -1.21 116.42 117.36 3gbx h ASP 334 Ca 0.33 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 3gbx h ASP 334 Cb -0.10 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.75 3gbx h ASP 334 CO -0.07 0.74 0.18 0.00 -1.61 0.00 0.00 179.24 178.48 3gbx h ALA 335 N 0.77 0.59 -0.24 -0.78 0.00 -1.10 -1.38 119.26 117.12 3gbx h ALA 335 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gbx h ALA 335 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gbx h ALA 335 CO 0.02 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.57 3gbx h ALA 336 N 1.03 0.31 -0.90 0.00 0.00 -1.14 -2.30 119.26 116.27 3gbx h ALA 336 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gbx h ALA 336 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3gbx h ALA 336 CO -0.01 -0.10 0.50 -0.07 0.00 0.00 0.00 179.25 179.57 3gbx h LEU 337 N 0.24 1.11 -1.39 0.00 3.38 -1.19 -2.42 115.31 115.04 3gbx h LEU 337 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3gbx h LEU 337 Cb 0.17 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3gbx h LEU 337 CO -0.01 0.88 0.43 1.23 0.09 0.00 0.00 178.44 181.07 3gbx h GLY 338 N 1.26 0.89 2.00 0.83 0.00 -0.78 -0.89 103.07 106.37 3gbx h GLY 338 Ca 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3gbx h GLY 338 CO -0.05 0.28 -0.10 3.21 0.00 0.00 0.00 176.54 179.88 3gbx h ARG 339 N 0.80 0.00 -0.64 4.80 3.08 -0.91 -1.40 114.38 120.12 3gbx h ARG 339 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3gbx h ARG 339 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gbx h ARG 339 CO -0.07 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3gbx n ALA 340 N -2.25 3.43 -2.11 0.04 0.00 -0.54 -4.86 120.51 114.24 3gbx n ALA 340 Ca -0.02 -1.60 -0.13 0.00 0.00 0.00 0.00 53.44 51.70 3gbx n ALA 340 Cb 0.24 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 3gbx n ALA 340 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gbx n ASN 341 N 0.79 -4.12 -4.22 0.00 4.13 -0.53 -4.09 115.26 107.22 3gbx n ASN 341 Ca 0.25 0.04 -0.35 0.00 1.68 0.00 0.00 54.58 56.20 3gbx n ASN 341 Cb 0.98 -3.22 -0.14 0.00 -1.54 0.00 0.00 39.78 35.86 3gbx n ASN 341 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gbx s ILE 342 N -2.62 2.94 -0.28 2.41 1.01 -0.45 -0.84 121.20 123.38 3gbx s ILE 342 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 3gbx s ILE 342 Cb 0.00 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3gbx s ILE 342 CO 0.00 0.25 0.25 -0.89 0.00 0.00 0.00 174.94 174.55 3gbx s THR 343 N 1.35 5.26 0.39 2.92 2.01 -0.14 -2.24 115.64 125.19 3gbx s THR 343 Ca 0.01 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.36 3gbx s THR 343 Cb -0.16 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3gbx s THR 343 CO -0.05 0.22 0.15 0.68 -0.69 0.00 0.00 174.62 174.93 3gbx s VAL 344 N 1.86 0.49 0.09 3.82 -7.23 -1.26 -0.44 120.40 117.73 3gbx s VAL 344 Ca 0.10 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3gbx s VAL 344 Cb -0.16 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 3gbx s VAL 344 CO 0.11 0.00 -0.20 0.54 -0.31 0.00 0.00 175.10 175.24 3gbx s ASN 345 N -3.56 2.39 0.70 4.85 2.20 -1.22 -4.85 114.94 115.46 3gbx s ASN 345 Ca 0.27 -0.64 -0.13 0.00 -0.94 0.00 0.00 52.86 51.42 3gbx s ASN 345 Cb 0.03 -0.14 0.02 0.00 -2.00 0.00 0.00 41.25 39.16 3gbx s ASN 345 CO 0.17 0.06 1.10 -1.59 -2.94 0.00 0.00 177.10 173.90 3gbx s LYS 346 N -1.72 2.59 -0.27 3.55 -2.85 -1.26 -1.00 119.74 118.78 3gbx s LYS 346 Ca 0.05 1.30 -0.25 0.00 -1.00 0.00 0.00 55.97 56.07 3gbx s LYS 346 Cb -0.10 -1.93 0.07 0.00 -2.06 0.00 0.00 37.83 33.82 3gbx s LYS 346 CO 0.03 -1.40 0.74 1.21 0.10 0.00 0.00 175.35 176.04 3gbx s ASN 347 N -2.91 -0.73 0.62 0.03 2.47 -0.28 -4.68 114.94 109.46 3gbx s ASN 347 Ca 0.65 1.41 -0.17 0.00 0.42 0.00 0.00 52.86 55.16 3gbx s ASN 347 Cb -0.19 1.43 -0.02 0.00 -1.45 0.00 0.00 41.25 41.02 3gbx s ASN 347 CO 0.47 -0.24 1.15 -0.44 -3.72 0.00 0.00 177.10 174.32 3gbx s SER 348 N 0.38 5.15 0.33 -4.21 0.01 -1.26 -1.88 113.70 112.22 3gbx s SER 348 Ca 0.00 2.19 0.07 0.00 1.31 0.00 0.00 55.95 59.52 3gbx s SER 348 Cb -0.05 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 3gbx s SER 348 CO 0.00 -1.61 0.30 0.68 0.41 0.00 0.00 173.24 173.02 3gbx s VAL 349 N -1.96 3.63 0.23 3.43 -7.23 -1.26 -4.85 120.40 112.39 3gbx s VAL 349 Ca 0.72 -1.35 -0.32 0.00 -1.81 0.00 0.00 61.98 59.22 3gbx s VAL 349 Cb -0.25 -3.21 -0.13 0.00 0.56 0.00 0.00 36.38 33.35 3gbx s VAL 349 CO 0.36 -0.19 1.56 -2.65 -0.31 0.00 0.00 175.10 173.88 3gbx n PRO 350 N -1.37 2.40 -3.90 4.82 -0.02 -1.26 -1.66 135.00 134.01 3gbx n PRO 350 Ca -0.02 0.86 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 3gbx n PRO 350 Cb 0.59 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3gbx n PRO 350 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gbx n ASN 351 N 2.81 -0.54 -4.73 2.55 5.03 -0.45 -4.74 115.26 115.18 3gbx n ASN 351 Ca 0.13 -0.96 -0.42 0.00 0.87 0.00 0.00 54.58 54.20 3gbx n ASN 351 Cb 0.33 -3.28 -0.03 0.00 -1.02 0.00 0.00 39.78 35.78 3gbx n ASN 351 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gbx s ASP 352 N -4.35 6.41 0.09 6.41 3.68 -0.66 -4.87 116.67 123.38 3gbx s ASP 352 Ca 0.01 2.84 0.24 0.00 2.13 0.00 0.00 52.55 57.77 3gbx s ASP 352 Cb -0.01 -2.61 0.94 0.00 -1.45 0.00 0.00 42.92 39.80 3gbx s ASP 352 CO 0.87 -0.94 1.74 -0.81 0.13 0.00 0.00 175.17 176.17 3gbx n PRO 353 N 3.64 0.09 -4.05 4.34 -0.04 -1.26 -4.82 135.00 132.91 3gbx n PRO 353 Ca 0.14 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.55 3gbx n PRO 353 Cb 0.36 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 3gbx n PRO 353 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3gbx s LYS 354 N -3.08 3.10 0.81 0.54 3.01 -1.26 -5.11 119.74 117.76 3gbx s LYS 354 Ca 0.10 -0.85 -0.11 0.00 -1.01 0.00 0.00 55.97 54.09 3gbx s LYS 354 Cb 0.13 -2.73 0.08 0.00 -1.01 0.00 0.00 37.83 34.31 3gbx s LYS 354 CO 0.46 0.46 1.14 -1.54 0.51 0.00 0.00 175.35 176.37 3gbx s SER 355 N -3.49 3.86 0.61 2.83 1.04 -1.26 -4.52 113.70 112.77 3gbx s SER 355 Ca 0.33 2.08 0.39 0.00 0.48 0.00 0.00 55.95 59.22 3gbx s SER 355 Cb -0.09 -2.55 1.87 0.00 0.10 0.00 0.00 66.02 65.34 3gbx s SER 355 CO 0.26 -2.47 2.17 -0.65 0.98 0.00 0.00 173.24 173.53 3gbx h PRO 356 N -1.18 0.00 0.00 4.02 0.11 -1.98 0.38 132.00 133.35 3gbx h PRO 356 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gbx h PRO 356 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gbx h PRO 356 CO 0.47 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.46 3gbx n PHE 357 N -3.11 0.86 0.02 0.65 0.99 -1.26 -4.35 117.46 111.26 3gbx n PHE 357 Ca -0.01 0.29 -0.01 0.00 -0.00 0.00 0.00 57.45 57.71 3gbx n PHE 357 Cb 0.19 -0.97 -0.00 0.00 -1.00 0.00 0.00 39.48 37.70 3gbx n PHE 357 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3gbx n VAL 358 N -2.24 0.82 -1.02 -4.37 0.31 -0.49 -4.89 118.33 106.45 3gbx n VAL 358 Ca 0.04 0.23 0.13 0.00 -0.01 0.00 0.00 64.34 64.72 3gbx n VAL 358 Cb 0.33 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 3gbx n VAL 358 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gbx n THR 359 N -3.40 -0.52 -1.15 2.52 -2.24 0.12 -2.08 114.28 107.54 3gbx n THR 359 Ca -0.02 0.60 0.07 0.00 -2.27 0.00 0.00 64.05 62.42 3gbx n THR 359 Cb 0.23 -0.95 0.21 0.00 -2.10 0.00 0.00 70.33 67.72 3gbx n THR 359 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gbx n SER 360 N -3.69 2.95 -3.93 3.42 7.64 -1.26 -0.37 113.62 118.39 3gbx n SER 360 Ca -0.06 -3.25 -0.09 0.00 1.01 0.00 0.00 58.87 56.49 3gbx n SER 360 Cb 0.48 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 3gbx n SER 360 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gbx s GLY 361 N -2.46 0.27 0.07 0.23 0.00 -0.79 -0.00 107.32 104.64 3gbx s GLY 361 Ca 0.39 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 44.37 3gbx s GLY 361 CO 0.04 -0.91 -0.18 -0.26 0.00 0.00 0.00 173.10 171.79 3gbx s ILE 362 N -3.90 1.44 -0.17 0.90 -4.36 -1.02 -1.12 121.20 112.97 3gbx s ILE 362 Ca 0.09 -1.29 -0.05 0.00 -0.26 0.00 0.00 60.65 59.14 3gbx s ILE 362 Cb 0.05 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 3gbx s ILE 362 CO -0.08 -0.02 -0.01 -0.60 0.24 0.00 0.00 174.94 174.48 3gbx s ARG 363 N -1.53 3.73 -0.06 0.37 3.52 -0.17 -0.65 118.95 124.17 3gbx s ARG 363 Ca 0.04 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 3gbx s ARG 363 Cb -0.09 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.28 3gbx s ARG 363 CO 0.03 0.20 -0.19 0.42 -0.81 0.00 0.00 175.30 174.95 3gbx s ILE 364 N 0.49 1.64 0.04 4.11 1.01 -0.17 -3.42 121.20 124.90 3gbx s ILE 364 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3gbx s ILE 364 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3gbx s ILE 364 CO 0.02 0.47 -0.05 -0.83 0.00 0.00 0.00 174.94 174.55 3gbx s GLY 365 N 0.14 0.43 0.00 6.18 0.00 0.03 -1.09 107.32 113.01 3gbx s GLY 365 Ca -0.08 -0.82 0.26 0.00 0.00 0.00 0.00 44.72 44.07 3gbx s GLY 365 CO 0.04 -0.90 1.50 -1.14 0.00 0.00 0.00 173.10 172.61 3gbx n SER 366 N 1.17 0.97 -0.17 1.64 3.41 -0.42 -4.53 113.62 115.69 3gbx n SER 366 Ca -0.21 -0.80 -0.04 0.00 -0.26 0.00 0.00 58.87 57.56 3gbx n SER 366 Cb 0.56 0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.76 3gbx n SER 366 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3gbx h PRO 367 N 1.02 0.43 -0.07 4.33 0.11 -1.85 -1.48 132.00 134.48 3gbx h PRO 367 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3gbx h PRO 367 Cb 0.52 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3gbx h PRO 367 CO 0.00 0.29 -0.03 0.00 -0.21 0.00 0.00 178.00 178.04 3gbx h ALA 368 N 1.30 0.10 -0.41 -0.75 0.00 -1.78 -0.88 119.26 116.84 3gbx h ALA 368 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gbx h ALA 368 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gbx h ALA 368 CO -0.20 -0.15 0.21 -0.39 0.00 0.00 0.00 179.25 178.73 3gbx h VAL 369 N -0.22 1.13 -0.50 0.00 -1.51 -1.67 -1.85 116.25 111.63 3gbx h VAL 369 Ca 0.02 -0.36 -0.12 0.00 -1.23 0.00 0.00 66.70 65.01 3gbx h VAL 369 Cb 0.47 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.21 3gbx h VAL 369 CO 0.01 0.15 -0.18 0.74 -1.23 0.00 0.00 177.57 177.06 3gbx h THR 370 N 0.57 1.27 -0.43 7.19 2.02 -1.18 -1.95 112.91 120.40 3gbx h THR 370 Ca 0.15 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 66.00 3gbx h THR 370 Cb 0.03 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3gbx h THR 370 CO -0.02 0.47 0.29 -0.09 0.37 0.00 0.00 175.52 176.53 3gbx h ARG 371 N 0.86 0.52 -0.22 6.66 9.65 -0.36 -1.08 114.38 130.41 3gbx h ARG 371 Ca 0.12 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3gbx h ARG 371 Cb 0.75 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3gbx h ARG 371 CO 0.06 0.34 0.00 2.89 2.80 0.00 0.00 179.97 186.06 3gbx n ARG 372 N -4.48 1.78 0.00 0.20 1.85 -0.90 -4.93 116.66 110.19 3gbx n ARG 372 Ca 0.04 -1.18 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 3gbx n ARG 372 Cb 0.10 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 3gbx n ARG 372 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gbx n GLY 373 N 1.13 0.75 3.74 2.89 0.00 -0.41 -4.56 105.19 108.72 3gbx n GLY 373 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3gbx n GLY 373 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gbx s PHE 374 N -2.00 3.23 0.00 1.61 0.40 -0.75 -5.01 117.98 115.46 3gbx s PHE 374 Ca 0.00 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 3gbx s PHE 374 Cb 0.00 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.90 3gbx s PHE 374 CO 0.00 -2.01 0.00 1.63 0.70 0.00 0.00 175.22 175.54 3gbx n LYS 375 N 2.72 3.12 -0.31 0.44 5.02 -1.26 -4.40 118.16 123.50 3gbx n LYS 375 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 3gbx n LYS 375 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.51 3gbx n LYS 375 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gbx h GLU 376 N 0.00 1.12 -0.79 1.97 3.07 -1.94 -1.98 114.58 116.04 3gbx h GLU 376 Ca 0.00 -0.09 0.05 0.00 -0.50 0.00 0.00 59.36 58.82 3gbx h GLU 376 Cb 0.00 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 27.61 3gbx h GLU 376 CO 0.00 0.77 0.48 0.00 -1.40 0.00 0.00 179.01 178.86 3gbx h ALA 377 N 1.29 1.07 -0.21 3.43 0.00 -1.99 -0.56 119.26 122.29 3gbx h ALA 377 Ca 0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3gbx h ALA 377 Cb -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gbx h ALA 377 CO -0.06 0.23 -0.46 0.93 0.00 0.00 0.00 179.25 179.89 3gbx h GLU 378 N 0.90 0.68 0.00 0.00 3.07 -1.77 -1.82 114.58 115.65 3gbx h GLU 378 Ca 0.34 -0.45 -0.09 0.00 -0.50 0.00 0.00 59.36 58.65 3gbx h GLU 378 Cb 0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3gbx h GLU 378 CO -0.16 1.07 -0.45 -0.39 -1.40 0.00 0.00 179.01 177.69 3gbx h VAL 379 N 0.39 1.04 -0.18 3.13 -1.51 -1.18 -0.35 116.25 117.58 3gbx h VAL 379 Ca 0.00 -1.71 -0.15 0.00 -1.23 0.00 0.00 66.70 63.61 3gbx h VAL 379 Cb 1.07 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 3gbx h VAL 379 CO 0.10 0.44 -0.48 0.11 -1.23 0.00 0.00 177.57 176.51 3gbx h LYS 380 N 0.00 0.64 -0.20 5.19 1.57 -1.04 -0.42 116.57 122.32 3gbx h LYS 380 Ca -0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3gbx h LYS 380 Cb 0.97 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3gbx h LYS 380 CO 0.06 1.07 0.13 1.49 -0.57 0.00 0.00 179.45 181.63 3gbx h GLU 381 N 0.32 0.26 -0.24 3.15 4.81 -1.12 -1.82 114.58 119.93 3gbx h GLU 381 Ca -0.01 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3gbx h GLU 381 Cb 1.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 3gbx h GLU 381 CO 0.10 0.18 0.02 1.25 -0.73 0.00 0.00 179.01 179.84 3gbx h LEU 382 N 0.26 -0.05 -1.05 1.64 5.85 -0.99 -1.70 115.31 119.27 3gbx h LEU 382 Ca 0.07 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3gbx h LEU 382 Cb -0.02 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3gbx h LEU 382 CO -0.01 0.00 0.63 0.00 -0.34 0.00 0.00 178.44 178.72 3gbx h ALA 383 N 1.20 1.44 -0.54 1.25 0.00 -0.95 -1.90 119.26 119.76 3gbx h ALA 383 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gbx h ALA 383 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3gbx h ALA 383 CO -0.18 0.41 0.29 0.78 0.00 0.00 0.00 179.25 180.55 3gbx h GLY 384 N 1.13 0.80 -1.83 0.00 0.00 -0.63 -1.13 103.07 101.41 3gbx h GLY 384 Ca 0.43 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3gbx h GLY 384 CO -0.17 0.35 0.00 0.79 0.00 0.00 0.00 176.54 177.51 3gbx n TRP 385 N -4.62 0.00 0.00 5.60 8.01 -0.71 -1.13 117.44 124.60 3gbx n TRP 385 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 3gbx n TRP 385 Cb 0.09 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 3gbx n TRP 385 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3gbx h ASP 388 N 0.00 0.97 0.03 0.00 3.32 -1.39 0.16 116.42 119.51 3gbx h ASP 388 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3gbx h ASP 388 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3gbx h ASP 388 CO 0.00 0.68 -0.02 0.58 -1.72 0.00 0.00 179.24 178.76 3gbx h VAL 389 N 1.14 1.16 -0.07 -1.35 2.07 -1.52 -2.58 116.25 115.11 3gbx h VAL 389 Ca 0.34 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3gbx h VAL 389 Cb -0.05 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3gbx h VAL 389 CO -0.10 0.16 -0.34 -0.07 0.02 0.00 0.00 177.57 177.24 3gbx h LEU 390 N -0.31 0.13 -1.88 2.57 3.38 -1.78 -0.87 115.31 116.55 3gbx h LEU 390 Ca -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3gbx h LEU 390 Cb 0.29 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3gbx h LEU 390 CO 0.01 0.46 -0.11 0.44 0.09 0.00 0.00 178.44 179.33 3gbx h ASP 391 N 0.11 0.00 -1.71 -0.43 3.32 -0.95 -3.34 116.42 113.41 3gbx h ASP 391 Ca 0.01 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.62 3gbx h ASP 391 Cb 0.65 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.81 3gbx h ASP 391 CO 0.05 0.11 -1.19 0.59 -1.72 0.00 0.00 179.24 177.07 3gbx n ASN 392 N -3.52 0.97 0.28 6.45 3.02 -0.41 -5.00 115.26 117.04 3gbx n ASN 392 Ca -0.01 -2.93 0.17 0.00 -0.03 0.00 0.00 54.58 51.77 3gbx n ASN 392 Cb 0.25 -0.58 0.78 0.00 -0.61 0.00 0.00 39.78 39.62 3gbx n ASN 392 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gbx h ILE 393 N 1.55 0.19 -0.32 2.41 2.10 -1.48 -1.82 117.51 120.14 3gbx h ILE 393 Ca 0.04 -0.49 -0.19 0.00 1.08 0.00 0.00 64.86 65.30 3gbx h ILE 393 Cb 1.03 1.41 -0.13 0.00 -1.09 0.00 0.00 36.82 38.04 3gbx h ILE 393 CO 0.50 0.05 -0.31 -0.46 -1.08 0.00 0.00 178.15 176.85 3gbx n ASN 394 N -3.24 2.76 -4.30 2.19 6.94 -1.26 -4.93 115.26 113.43 3gbx n ASN 394 Ca -0.01 -3.83 -0.42 0.00 -0.02 0.00 0.00 54.58 50.30 3gbx n ASN 394 Cb 0.26 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.03 3gbx n ASN 394 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gbx s ASP 395 N -2.92 5.84 0.35 0.53 2.15 -0.69 -4.96 116.67 116.97 3gbx s ASP 395 Ca 0.44 -1.55 0.09 0.00 0.43 0.00 0.00 52.55 51.96 3gbx s ASP 395 Cb 0.40 -2.07 0.81 0.00 -0.30 0.00 0.00 42.92 41.76 3gbx s ASP 395 CO -0.02 -0.62 1.86 -0.08 -0.17 0.00 0.00 175.17 176.14 3gbx h GLU 396 N 8.55 0.68 -0.49 4.34 4.57 -1.92 -2.39 114.58 127.92 3gbx h GLU 396 Ca -0.25 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.76 3gbx h GLU 396 Cb 1.09 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3gbx h GLU 396 CO 0.83 0.45 -0.19 0.00 -1.18 0.00 0.00 179.01 178.93 3gbx h ALA 397 N 1.60 0.73 -0.12 2.92 0.00 -1.96 0.16 119.26 122.58 3gbx h ALA 397 Ca 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gbx h ALA 397 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3gbx h ALA 397 CO -0.21 0.67 0.06 1.15 0.00 0.00 0.00 179.25 180.91 3gbx h THR 398 N 0.86 1.13 -0.50 0.00 2.02 -1.80 -0.36 112.91 114.26 3gbx h THR 398 Ca 0.12 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.99 3gbx h THR 398 Cb 0.76 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3gbx h THR 398 CO 0.06 0.12 0.18 0.40 0.37 0.00 0.00 175.52 176.65 3gbx h ILE 399 N 0.07 0.83 -0.73 3.11 2.04 -1.29 -0.33 117.51 121.21 3gbx h ILE 399 Ca 0.04 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3gbx h ILE 399 Cb 0.13 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3gbx h ILE 399 CO -0.00 0.07 0.21 -0.33 0.00 0.00 0.00 178.15 178.09 3gbx h GLU 400 N 0.36 1.14 -0.40 2.37 5.08 -0.81 -0.12 114.58 122.20 3gbx h GLU 400 Ca 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3gbx h GLU 400 Cb 0.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3gbx h GLU 400 CO -0.24 0.98 0.17 0.00 -1.00 0.00 0.00 179.01 178.92 3gbx h ARG 401 N 1.08 0.59 -0.37 2.33 3.08 -0.61 -2.17 114.38 118.32 3gbx h ARG 401 Ca 0.23 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3gbx h ARG 401 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3gbx h ARG 401 CO -0.00 0.54 -0.11 0.28 -1.07 0.00 0.00 179.97 179.60 3gbx h VAL 402 N 0.50 1.28 -0.73 2.04 2.07 -0.94 -2.42 116.25 118.05 3gbx h VAL 402 Ca 0.14 -1.20 0.12 0.00 0.82 0.00 0.00 66.70 66.57 3gbx h VAL 402 Cb 0.16 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3gbx h VAL 402 CO -0.01 0.40 0.33 0.50 0.02 0.00 0.00 177.57 178.80 3gbx h LYS 403 N 0.52 0.51 -0.79 1.57 3.64 -0.87 0.99 116.57 122.14 3gbx h LYS 403 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3gbx h LYS 403 Cb 0.64 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3gbx h LYS 403 CO 0.04 0.34 0.34 0.00 -2.27 0.00 0.00 179.45 177.90 3gbx h ALA 404 N 1.48 1.02 -0.44 5.00 0.00 -1.21 -1.31 119.26 123.81 3gbx h ALA 404 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3gbx h ALA 404 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gbx h ALA 404 CO -0.33 0.62 -0.18 0.87 0.00 0.00 0.00 179.25 180.23 3gbx h LYS 405 N 1.14 0.86 -0.47 0.00 1.57 -0.73 -1.88 116.57 117.04 3gbx h LYS 405 Ca 0.27 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gbx h LYS 405 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3gbx h LYS 405 CO -0.03 0.97 0.28 0.28 -0.57 0.00 0.00 179.45 180.38 3gbx h VAL 406 N 0.76 1.15 -0.76 0.50 2.07 -0.45 -1.18 116.25 118.33 3gbx h VAL 406 Ca 0.11 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3gbx h VAL 406 Cb 0.70 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3gbx h VAL 406 CO 0.05 0.16 0.31 -0.07 0.02 0.00 0.00 177.57 178.04 3gbx h LEU 407 N 0.63 1.05 -0.26 2.57 3.38 -1.08 0.30 115.31 121.90 3gbx h LEU 407 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gbx h LEU 407 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3gbx h LEU 407 CO -0.03 0.93 0.15 -0.78 0.09 0.00 0.00 178.44 178.80 3gbx h ASP 408 N 1.10 0.32 -0.24 -0.43 3.58 -1.13 -1.60 116.42 118.01 3gbx h ASP 408 Ca 0.25 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 3gbx h ASP 408 Cb 0.21 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3gbx h ASP 408 CO -0.02 0.30 -0.26 0.16 -2.88 0.00 0.00 179.24 176.54 3gbx h ILE 409 N 0.31 1.27 -0.75 2.25 3.07 -0.85 -2.02 117.51 120.79 3gbx h ILE 409 Ca 0.09 -1.37 0.04 0.00 1.55 0.00 0.00 64.86 65.17 3gbx h ILE 409 Cb 0.05 1.27 -0.05 0.00 -0.27 0.00 0.00 36.82 37.82 3gbx h ILE 409 CO -0.02 0.45 0.46 0.00 -1.05 0.00 0.00 178.15 178.00 3gbx h ALA 411 N 1.34 1.42 0.00 0.00 0.00 -0.98 -2.49 119.26 118.55 3gbx h ALA 411 Ca 0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gbx h ALA 411 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gbx h ALA 411 CO -0.13 0.43 -0.27 -0.09 0.00 0.00 0.00 179.25 179.19 3gbx h ARG 412 N 0.64 0.00 -2.28 0.00 2.43 -0.64 -3.36 114.38 111.18 3gbx h ARG 412 Ca 0.15 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.73 3gbx h ARG 412 Cb 0.18 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.32 3gbx h ARG 412 CO -0.01 0.27 -0.75 1.19 -1.51 0.00 0.00 179.97 179.16 3gbx n PHE 413 N -3.32 2.25 -1.78 2.20 3.72 -0.61 -5.10 117.46 114.82 3gbx n PHE 413 Ca 0.01 -3.97 -0.33 0.00 -0.05 0.00 0.00 57.45 53.11 3gbx n PHE 413 Cb 0.51 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3gbx n PHE 413 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gbx s PRO 414 N -1.83 2.83 0.00 -1.08 0.04 -1.18 -4.79 135.00 128.99 3gbx s PRO 414 Ca 0.36 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3gbx s PRO 414 Cb 0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3gbx s PRO 414 CO -0.07 -1.22 0.04 0.28 0.04 0.00 0.00 177.00 176.06 3gbx n VAL 415 N -2.38 0.00 -3.09 -0.36 0.31 -1.26 -4.49 118.33 107.05 3gbx n VAL 415 Ca 0.10 0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 64.49 3gbx n VAL 415 Cb 0.52 -1.43 -0.00 0.00 -0.91 0.00 0.00 33.84 32.02 3gbx n VAL 415 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3gbx s TYR 416 N -1.00 3.76 0.00 3.52 2.02 -1.26 -4.92 117.35 119.47 3gbx s TYR 416 Ca 0.00 -2.28 0.00 0.00 -0.37 0.00 0.00 57.07 54.42 3gbx s TYR 416 Cb 0.00 -4.14 0.00 0.00 -0.40 0.00 0.00 41.96 37.42 3gbx s TYR 416 CO 0.00 -1.24 0.00 0.00 -1.57 0.00 0.00 175.55 172.74