#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpo s PRO 2 N 0.00 4.13 0.33 0.00 0.04 -1.26 -5.02 135.00 133.22 3gpo s PRO 2 Ca 0.00 1.83 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3gpo s PRO 2 Cb 0.00 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 3gpo s PRO 2 CO 0.00 -0.25 -0.01 -1.54 0.04 0.00 0.00 177.00 175.24 3gpo s SER 3 N -1.10 3.03 -0.08 6.66 1.04 -1.26 -4.97 113.70 117.01 3gpo s SER 3 Ca 0.56 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3gpo s SER 3 Cb -0.31 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 3gpo s SER 3 CO 0.39 -0.43 -0.10 -0.31 0.98 0.00 0.00 173.24 173.77 3gpo s TYR 4 N -2.97 2.84 0.09 5.02 1.51 -1.26 -0.86 117.35 121.71 3gpo s TYR 4 Ca 0.33 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 3gpo s TYR 4 Cb 0.06 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3gpo s TYR 4 CO 0.15 0.14 -0.06 1.03 -1.11 0.00 0.00 175.55 175.70 3gpo s ARG 5 N -0.44 0.77 0.01 -0.62 0.52 -0.35 -4.98 118.95 113.85 3gpo s ARG 5 Ca 0.06 -1.28 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 3gpo s ARG 5 Cb -0.12 -0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.21 3gpo s ARG 5 CO 0.02 -0.03 -0.14 0.54 0.02 0.00 0.00 175.30 175.71 3gpo s VAL 6 N -3.55 1.13 -0.01 3.52 0.11 -1.26 -0.64 120.40 119.70 3gpo s VAL 6 Ca 0.10 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 3gpo s VAL 6 Cb 0.05 -0.97 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 3gpo s VAL 6 CO -0.05 0.21 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.33 3gpo s LYS 7 N -0.61 0.57 -0.55 1.54 1.02 0.05 -4.93 119.74 116.83 3gpo s LYS 7 Ca 0.04 -0.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.66 3gpo s LYS 7 Cb -0.06 -0.56 0.13 0.00 -0.52 0.00 0.00 37.83 36.82 3gpo s LYS 7 CO 0.00 0.11 0.51 0.50 -0.92 0.00 0.00 175.35 175.55 3gpo s ARG 8 N 0.00 3.02 -0.17 1.68 3.52 -1.26 -1.56 118.95 124.18 3gpo s ARG 8 Ca 0.00 -1.74 -0.29 0.00 -0.13 0.00 0.00 55.73 53.57 3gpo s ARG 8 Cb -0.04 -4.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.03 3gpo s ARG 8 CO -0.00 -1.33 1.20 0.34 -0.81 0.00 0.00 175.30 174.69 3gpo s ASP 10 N 3.54 7.00 0.65 -2.12 -1.08 -1.26 -4.97 116.67 118.43 3gpo s ASP 10 Ca 0.04 1.61 0.37 0.00 -0.52 0.00 0.00 52.55 54.05 3gpo s ASP 10 Cb -0.29 -2.54 2.02 0.00 -1.46 0.00 0.00 42.92 40.65 3gpo s ASP 10 CO 0.03 -0.72 2.18 -0.29 0.52 0.00 0.00 175.17 176.88 3gpo h ILE 11 N 5.45 0.11 0.00 4.11 2.10 -1.94 -1.11 117.51 126.23 3gpo h ILE 11 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3gpo h ILE 11 Cb 1.10 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3gpo h ILE 11 CO 0.97 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.04 3gpo h ALA 12 N 1.75 1.00 -0.56 0.18 0.00 -1.94 -2.37 119.26 117.32 3gpo h ALA 12 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gpo h ALA 12 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gpo h ALA 12 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3gpo n LYS 13 N -2.68 4.63 -1.07 0.00 5.02 -0.42 -5.02 118.16 118.62 3gpo n LYS 13 Ca 0.01 -3.00 -0.32 0.00 -2.02 0.00 0.00 58.31 52.98 3gpo n LYS 13 Cb 0.23 -2.20 0.12 0.00 -0.02 0.00 0.00 35.03 33.17 3gpo n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gpo s ASN 14 N -0.76 3.78 -0.28 4.39 2.20 -0.89 -4.94 114.94 118.43 3gpo s ASN 14 Ca 0.52 2.09 0.10 0.00 -0.94 0.00 0.00 52.86 54.63 3gpo s ASN 14 Cb 0.39 -2.56 0.51 0.00 -2.00 0.00 0.00 41.25 37.59 3gpo s ASN 14 CO 0.16 -2.53 1.46 -0.67 -2.94 0.00 0.00 177.10 172.59 3gpo n ASP 15 N -3.62 2.60 -4.91 3.54 2.03 -1.26 -5.02 116.55 109.91 3gpo n ASP 15 Ca 0.11 -3.70 -0.21 0.00 0.52 0.00 0.00 54.79 51.50 3gpo n ASP 15 Cb 0.52 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 40.28 3gpo n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gpo s GLU 16 N -3.21 2.47 0.03 -0.67 8.01 -1.26 -5.04 118.70 119.04 3gpo s GLU 16 Ca 0.44 -1.62 0.28 0.00 0.01 0.00 0.00 54.97 54.09 3gpo s GLU 16 Cb 0.40 -2.39 1.15 0.00 -4.31 0.00 0.00 34.13 28.99 3gpo s GLU 16 CO 0.01 -0.37 1.89 0.39 0.01 0.00 0.00 175.26 177.19 3gpo n GLU 17 N -1.70 0.04 -3.74 1.61 1.02 -1.18 -4.87 120.64 111.81 3gpo n GLU 17 Ca 0.04 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 3gpo n GLU 17 Cb 0.62 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 3gpo n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpo s VAL 19 N -3.54 0.84 -0.21 0.00 0.11 -1.00 -1.42 120.40 115.18 3gpo s VAL 19 Ca 0.10 -1.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.04 3gpo s VAL 19 Cb -0.03 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 3gpo s VAL 19 CO 0.02 -0.18 0.08 -0.69 -3.33 0.00 0.00 175.10 170.99 3gpo s VAL 20 N -1.08 4.69 -0.02 2.04 1.01 0.23 -0.52 120.40 126.75 3gpo s VAL 20 Ca -0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3gpo s VAL 20 Cb -0.09 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3gpo s VAL 20 CO 0.01 0.40 0.52 0.21 0.00 0.00 0.00 175.10 176.24 3gpo s ASN 21 N 0.88 6.88 -0.85 3.32 2.47 0.43 -4.36 114.94 123.71 3gpo s ASN 21 Ca 0.04 1.05 -0.23 0.00 0.42 0.00 0.00 52.86 54.14 3gpo s ASN 21 Cb -0.14 -2.32 0.07 0.00 -1.45 0.00 0.00 41.25 37.41 3gpo s ASN 21 CO 0.03 0.15 1.23 0.00 -3.72 0.00 0.00 177.10 174.79 3gpo s ALA 22 N -0.31 2.94 0.42 1.71 0.00 -1.26 -1.22 121.76 124.05 3gpo s ALA 22 Ca 0.28 -2.03 0.08 0.00 0.00 0.00 0.00 51.96 50.29 3gpo s ALA 22 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.74 3gpo s ALA 22 CO 0.15 -3.22 0.52 0.00 0.00 0.00 0.00 175.76 173.22 3gpo s ALA 23 N 4.52 4.41 0.26 0.00 0.00 0.08 -4.19 121.76 126.84 3gpo s ALA 23 Ca 0.35 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3gpo s ALA 23 Cb -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3gpo s ALA 23 CO 0.01 -0.28 0.29 0.54 0.00 0.00 0.00 175.76 176.32 3gpo s ASN 24 N -4.30 5.85 0.00 0.00 2.20 -1.26 -4.39 114.94 113.05 3gpo s ASN 24 Ca 0.53 -0.14 0.15 0.00 -0.94 0.00 0.00 52.86 52.47 3gpo s ASN 24 Cb -0.08 -1.55 0.67 0.00 -2.00 0.00 0.00 41.25 38.29 3gpo s ASN 24 CO 0.32 -0.10 1.49 -0.81 -2.94 0.00 0.00 177.10 175.06 3gpo n PRO 25 N -1.31 0.02 0.00 3.55 -0.04 -1.26 -2.15 135.00 133.80 3gpo n PRO 25 Ca -0.07 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3gpo n PRO 25 Cb 0.58 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 3gpo n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gpo n ARG 26 N -1.48 0.02 -1.36 0.54 5.12 -1.26 -3.44 116.66 114.80 3gpo n ARG 26 Ca 0.04 -0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 3gpo n ARG 26 Cb 0.18 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 3gpo n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gpo n GLY 27 N 1.50 0.78 3.87 -0.13 0.00 -0.91 -4.53 105.19 105.76 3gpo n GLY 27 Ca 0.06 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 3gpo n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpo s LEU 28 N -1.66 4.06 0.47 0.99 1.43 -1.26 -4.73 118.68 117.98 3gpo s LEU 28 Ca 0.00 1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.88 3gpo s LEU 28 Cb 0.00 -3.82 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 3gpo s LEU 28 CO 0.00 -0.19 1.32 -2.84 0.23 0.00 0.00 176.35 174.87 3gpo s PRO 29 N -3.17 3.62 0.00 1.29 0.02 -1.26 -4.62 135.00 130.89 3gpo s PRO 29 Ca 0.49 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3gpo s PRO 29 Cb -0.11 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3gpo s PRO 29 CO 0.23 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3gpo n GLY 30 N 0.63 5.35 2.72 0.52 0.00 -1.26 -4.99 105.19 108.16 3gpo n GLY 30 Ca 0.07 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 3gpo n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpo n ASP 31 N 0.00 1.95 0.00 1.61 10.43 -1.26 -3.35 116.55 125.93 3gpo n ASP 31 Ca 0.00 -2.24 0.00 0.00 2.57 0.00 0.00 54.79 55.12 3gpo n ASP 31 Cb 0.00 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 42.83 3gpo n ASP 31 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpo n GLY 32 N 0.18 2.93 0.13 0.44 0.00 -1.26 -2.36 105.19 105.26 3gpo n GLY 32 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 3gpo n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpo h VAL 33 N 0.00 0.76 -0.64 1.61 2.07 -1.95 -2.16 116.25 115.94 3gpo h VAL 33 Ca 0.00 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3gpo h VAL 33 Cb 0.00 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3gpo h VAL 33 CO 0.00 0.01 0.42 0.00 0.02 0.00 0.00 177.57 178.02 3gpo h LYS 35 N 0.71 -0.26 -0.83 0.00 3.64 -1.00 0.12 116.57 118.96 3gpo h LYS 35 Ca 0.26 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3gpo h LYS 35 Cb 0.16 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3gpo h LYS 35 CO -0.08 -0.17 0.37 0.00 -2.27 0.00 0.00 179.45 177.30 3gpo h ALA 36 N 0.66 1.08 -0.32 5.00 0.00 -1.03 -2.11 119.26 122.54 3gpo h ALA 36 Ca 0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3gpo h ALA 36 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gpo h ALA 36 CO -0.14 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.00 3gpo h VAL 37 N 1.19 1.27 -0.47 0.00 2.07 -0.81 -1.84 116.25 117.65 3gpo h VAL 37 Ca 0.28 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3gpo h VAL 37 Cb 0.17 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3gpo h VAL 37 CO -0.03 0.35 0.11 0.22 0.02 0.00 0.00 177.57 178.24 3gpo h TYR 38 N 0.39 0.73 -0.49 1.57 3.20 -0.67 0.23 116.97 121.93 3gpo h TYR 38 Ca 0.08 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3gpo h TYR 38 Cb 0.53 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3gpo h TYR 38 CO 0.05 0.63 -0.15 0.87 -1.64 0.00 0.00 178.16 177.92 3gpo h LYS 39 N 0.69 0.96 0.18 1.82 1.57 -1.17 -2.71 116.57 117.91 3gpo h LYS 39 Ca 0.16 -0.38 -0.33 0.00 -1.87 0.00 0.00 60.65 58.22 3gpo h LYS 39 Cb 0.27 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.54 3gpo h LYS 39 CO -0.00 1.05 -1.65 -0.22 -0.57 0.00 0.00 179.45 178.06 3gpo h LYS 40 N 0.81 0.39 -2.10 3.15 1.63 -1.01 -3.40 116.57 116.04 3gpo h LYS 40 Ca 0.12 -0.66 -0.54 0.00 -0.85 0.00 0.00 60.65 58.72 3gpo h LYS 40 Cb 0.71 0.25 -0.41 0.00 -0.60 0.00 0.00 32.23 32.17 3gpo h LYS 40 CO 0.05 1.32 -0.85 0.91 -3.45 0.00 0.00 179.45 177.42 3gpo n TRP 41 N -3.68 2.61 0.25 1.91 8.01 0.77 -4.93 117.44 122.39 3gpo n TRP 41 Ca -0.24 -3.84 0.08 0.00 -1.31 0.00 0.00 57.50 52.19 3gpo n TRP 41 Cb 1.04 -0.44 0.63 0.00 -2.01 0.00 0.00 31.31 30.54 3gpo n TRP 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3gpo h PRO 42 N 2.96 0.00 0.00 -0.99 0.13 -1.63 -1.22 132.00 131.26 3gpo h PRO 42 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3gpo h PRO 42 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3gpo h PRO 42 CO 0.70 0.06 -0.06 0.93 -0.23 0.00 0.00 178.00 179.40 3gpo h GLU 43 N 0.00 0.00 0.00 0.86 3.07 -1.92 -1.91 114.58 114.68 3gpo h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gpo h GLU 43 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3gpo h GLU 43 CO 0.01 0.06 0.00 -1.13 -1.40 0.00 0.00 179.01 176.54 3gpo n SER 44 N -3.63 0.00 -0.53 1.42 3.41 -0.46 -2.87 113.62 110.96 3gpo n SER 44 Ca -0.02 -0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.49 3gpo n SER 44 Cb 0.16 -0.19 0.46 0.00 -0.26 0.00 0.00 64.21 64.38 3gpo n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gpo n PHE 45 N -1.19 0.08 -2.08 7.33 3.72 -0.72 -4.57 117.46 120.04 3gpo n PHE 45 Ca 0.12 -0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 3gpo n PHE 45 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3gpo n PHE 45 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gpo s LYS 46 N -1.92 3.64 -1.45 -1.08 2.20 -1.14 -2.91 119.74 117.09 3gpo s LYS 46 Ca 0.36 1.58 -0.08 0.00 -0.36 0.00 0.00 55.97 57.47 3gpo s LYS 46 Cb 0.20 -4.09 0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3gpo s LYS 46 CO 0.31 -1.48 0.85 0.09 -0.36 0.00 0.00 175.35 174.76 3gpo n ASN 47 N 9.04 -3.20 -0.18 1.43 3.02 -1.26 -4.89 115.26 119.23 3gpo n ASN 47 Ca 0.20 -0.81 0.13 0.00 -0.03 0.00 0.00 54.58 54.07 3gpo n ASN 47 Cb 0.46 -3.88 0.45 0.00 -0.61 0.00 0.00 39.78 36.19 3gpo n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gpo n SER 48 N -2.92 0.78 -4.70 6.41 3.41 -1.15 -4.92 113.62 110.53 3gpo n SER 48 Ca -0.10 -0.70 -0.43 0.00 -0.26 0.00 0.00 58.87 57.38 3gpo n SER 48 Cb 0.59 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 3gpo n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpo n ALA 49 N -0.84 1.57 -3.45 7.33 0.00 -1.26 -4.68 120.51 119.17 3gpo n ALA 49 Ca 0.12 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.79 3gpo n ALA 49 Cb 0.32 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 3gpo n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gpo s THR 50 N -0.34 0.01 0.78 0.00 -1.32 -1.22 -4.92 115.64 108.63 3gpo s THR 50 Ca 0.63 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.90 3gpo s THR 50 Cb -0.58 -0.87 0.06 0.00 -1.51 0.00 0.00 72.50 69.60 3gpo s THR 50 CO 0.53 -0.06 1.10 -2.84 -2.21 0.00 0.00 174.62 171.15 3gpo s PRO 51 N -0.77 2.15 0.34 7.08 0.02 -1.26 -4.20 135.00 138.35 3gpo s PRO 51 Ca -0.08 1.26 -0.26 0.00 0.02 0.00 0.00 61.00 61.94 3gpo s PRO 51 Cb -0.02 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 3gpo s PRO 51 CO 0.06 -1.74 0.95 0.28 -0.33 0.00 0.00 177.00 176.22 3gpo n VAL 52 N -3.47 2.10 -0.97 3.83 0.31 -1.26 -1.78 118.33 117.08 3gpo n VAL 52 Ca 0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3gpo n VAL 52 Cb 0.53 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3gpo n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gpo n GLY 53 N 1.29 0.67 3.45 2.92 0.00 0.22 -5.02 105.19 108.72 3gpo n GLY 53 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3gpo n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpo s THR 54 N -2.66 1.09 0.06 2.61 -4.23 -0.74 -2.89 115.64 108.88 3gpo s THR 54 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3gpo s THR 54 Cb 0.00 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 3gpo s THR 54 CO 0.00 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.99 3gpo s ALA 55 N -3.33 0.78 -0.08 3.99 0.00 -1.26 -1.54 121.76 120.31 3gpo s ALA 55 Ca 0.36 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3gpo s ALA 55 Cb 0.08 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3gpo s ALA 55 CO 0.15 -0.03 0.18 0.21 0.00 0.00 0.00 175.76 176.27 3gpo s LYS 56 N -2.06 0.11 -0.11 0.00 2.20 0.23 -4.96 119.74 115.15 3gpo s LYS 56 Ca -0.04 0.46 -0.18 0.00 -0.36 0.00 0.00 55.97 55.85 3gpo s LYS 56 Cb -0.07 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 3gpo s LYS 56 CO -0.00 -0.20 0.46 0.99 -0.36 0.00 0.00 175.35 176.24 3gpo s THR 57 N 1.46 5.18 0.00 3.43 2.01 -1.26 -1.02 115.64 125.44 3gpo s THR 57 Ca -0.07 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3gpo s THR 57 Cb -0.11 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3gpo s THR 57 CO -0.07 0.35 0.00 0.52 -0.69 0.00 0.00 174.62 174.74 3gpo n VAL 58 N 3.51 0.00 -3.15 3.82 0.31 -0.08 -4.97 118.33 117.77 3gpo n VAL 58 Ca -0.08 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.30 3gpo n VAL 58 Cb 0.52 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3gpo n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gpo n GLY 61 N 5.29 3.67 0.93 0.00 0.00 -1.26 -0.87 105.19 112.95 3gpo n GLY 61 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3gpo n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpo n THR 62 N 0.00 0.86 -3.29 2.61 -2.24 -1.26 -4.96 114.28 106.00 3gpo n THR 62 Ca 0.00 -0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 3gpo n THR 62 Cb 0.00 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 3gpo n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gpo s TYR 63 N -1.06 3.19 0.05 4.78 5.04 -0.05 -5.03 117.35 124.26 3gpo s TYR 63 Ca 0.33 0.07 -0.30 0.00 -2.44 0.00 0.00 57.07 54.73 3gpo s TYR 63 Cb 0.18 -2.85 -0.05 0.00 0.35 0.00 0.00 41.96 39.58 3gpo s TYR 63 CO 0.24 -0.53 1.20 -2.14 -1.34 0.00 0.00 175.55 172.98 3gpo s PRO 64 N 2.27 4.42 -0.25 4.97 0.02 -1.26 -0.77 135.00 144.40 3gpo s PRO 64 Ca 0.16 1.76 -0.05 0.00 0.02 0.00 0.00 61.00 62.90 3gpo s PRO 64 Cb -0.16 -3.38 -0.00 0.00 0.02 0.00 0.00 34.50 30.98 3gpo s PRO 64 CO 0.13 -0.29 -0.00 0.08 -0.33 0.00 0.00 177.00 176.59 3gpo s VAL 65 N 1.23 3.58 -0.48 3.83 1.01 -0.54 -2.36 120.40 126.66 3gpo s VAL 65 Ca 0.59 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 3gpo s VAL 65 Cb -0.29 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.45 3gpo s VAL 65 CO 0.28 0.30 0.44 -0.63 0.00 0.00 0.00 175.10 175.50 3gpo s ILE 66 N 1.48 5.17 -0.45 2.22 1.01 0.32 -0.90 121.20 130.05 3gpo s ILE 66 Ca 0.04 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 3gpo s ILE 66 Cb -0.15 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.18 3gpo s ILE 66 CO -0.01 -0.63 1.04 -1.00 0.00 0.00 0.00 174.94 174.33 3gpo s HIS 67 N 1.82 2.89 -0.12 3.97 3.76 -0.19 -0.43 115.29 127.00 3gpo s HIS 67 Ca 0.06 0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 3gpo s HIS 67 Cb -0.24 -4.16 -0.03 0.00 1.11 0.00 0.00 32.58 29.26 3gpo s HIS 67 CO 0.07 -1.15 -0.06 0.00 -0.85 0.00 0.00 174.74 172.76 3gpo s ALA 68 N 4.08 2.94 -0.40 -1.40 0.00 -0.35 -0.60 121.76 126.03 3gpo s ALA 68 Ca 0.43 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 3gpo s ALA 68 Cb -0.09 -1.39 0.10 0.00 0.00 0.00 0.00 23.12 21.74 3gpo s ALA 68 CO 0.28 0.35 0.19 0.08 0.00 0.00 0.00 175.76 176.65 3gpo s VAL 69 N -0.06 3.41 0.67 0.00 1.01 -0.59 -0.74 120.40 124.10 3gpo s VAL 69 Ca 0.01 -1.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 3gpo s VAL 69 Cb -0.13 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3gpo s VAL 69 CO 0.03 -0.58 1.05 -0.83 0.00 0.00 0.00 175.10 174.77 3gpo s GLY 70 N 1.81 1.66 0.52 4.51 0.00 -1.26 -0.61 107.32 113.95 3gpo s GLY 70 Ca 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 3gpo s GLY 70 CO -0.03 0.28 1.13 2.56 0.00 0.00 0.00 173.10 177.04 3gpo s PRO 71 N -5.12 3.50 -0.43 2.90 0.04 -1.26 -4.74 135.00 129.88 3gpo s PRO 71 Ca 0.57 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 3gpo s PRO 71 Cb -0.13 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3gpo s PRO 71 CO 0.54 -0.73 0.81 1.21 0.04 0.00 0.00 177.00 178.87 3gpo s ASN 72 N -1.69 6.46 0.34 6.66 3.84 -1.26 -4.74 114.94 124.55 3gpo s ASN 72 Ca 0.70 0.05 0.25 0.00 0.21 0.00 0.00 52.86 54.07 3gpo s ASN 72 Cb -0.24 -2.40 1.20 0.00 -0.55 0.00 0.00 41.25 39.25 3gpo s ASN 72 CO 0.28 -0.90 1.77 -0.26 -2.79 0.00 0.00 177.10 175.20 3gpo h PHE 73 N 8.88 0.00 0.00 0.43 0.04 -1.46 -0.37 116.94 124.46 3gpo h PHE 73 Ca -0.25 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 3gpo h PHE 73 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 3gpo h PHE 73 CO 0.81 0.00 -0.07 0.77 -0.60 0.00 0.00 178.31 179.22 3gpo h SER 74 N 0.00 0.00 0.00 2.17 0.02 -1.87 -3.22 113.55 110.65 3gpo h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gpo h SER 74 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3gpo h SER 74 CO 0.00 0.07 -1.83 0.59 -1.14 0.00 0.00 176.83 174.52 3gpo n ASN 75 N -4.30 0.45 -4.73 3.07 3.02 -0.16 -4.98 115.26 107.63 3gpo n ASN 75 Ca -0.03 -0.09 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 3gpo n ASN 75 Cb 0.15 1.84 -0.07 0.00 -0.61 0.00 0.00 39.78 41.09 3gpo n ASN 75 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gpo s TYR 76 N -3.35 3.03 0.79 3.10 2.02 -1.14 -5.08 117.35 116.72 3gpo s TYR 76 Ca -0.06 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 3gpo s TYR 76 Cb 0.13 -1.49 0.07 0.00 -0.40 0.00 0.00 41.96 40.27 3gpo s TYR 76 CO 0.83 0.51 1.10 -1.54 -1.57 0.00 0.00 175.55 174.89 3gpo s SER 77 N -2.77 4.23 0.15 2.29 1.04 -1.26 -4.78 113.70 112.60 3gpo s SER 77 Ca 0.28 1.90 -0.17 0.00 0.48 0.00 0.00 55.95 58.44 3gpo s SER 77 Cb -0.10 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.55 3gpo s SER 77 CO 0.21 -2.22 1.71 -0.33 0.98 0.00 0.00 173.24 173.58 3gpo h GLU 78 N -1.22 0.11 -0.44 4.02 4.39 -1.98 0.31 114.58 119.76 3gpo h GLU 78 Ca -0.44 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 3gpo h GLU 78 Cb 1.24 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 3gpo h GLU 78 CO 0.50 0.07 0.03 0.66 -1.16 0.00 0.00 179.01 179.10 3gpo h SER 79 N 0.11 0.74 -0.34 1.42 4.64 -1.99 -0.56 113.55 117.58 3gpo h SER 79 Ca 0.16 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3gpo h SER 79 Cb 0.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3gpo h SER 79 CO -0.26 0.85 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.39 3gpo h GLU 80 N 0.61 0.65 -0.57 4.77 4.57 -1.88 -2.53 114.58 120.20 3gpo h GLU 80 Ca 0.13 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3gpo h GLU 80 Cb 0.45 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3gpo h GLU 80 CO 0.02 0.82 0.18 0.78 -1.18 0.00 0.00 179.01 179.62 3gpo h GLY 81 N 0.43 0.91 1.01 1.92 0.00 -0.31 -2.09 103.07 104.94 3gpo h GLY 81 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3gpo h GLY 81 CO 0.03 0.47 0.31 -1.80 0.00 0.00 0.00 176.54 175.55 3gpo h ASP 82 N 0.83 0.91 -0.29 0.19 3.58 -0.97 -1.01 116.42 119.65 3gpo h ASP 82 Ca 0.19 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3gpo h ASP 82 Cb 0.23 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3gpo h ASP 82 CO -0.01 0.80 0.12 -0.09 -2.88 0.00 0.00 179.24 177.19 3gpo h ARG 83 N 0.95 0.43 -0.49 0.28 2.43 -1.12 -1.73 114.38 115.13 3gpo h ARG 83 Ca 0.23 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3gpo h ARG 83 Cb 0.15 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3gpo h ARG 83 CO -0.03 0.43 0.01 0.93 -1.51 0.00 0.00 179.97 179.81 3gpo h GLU 84 N 0.32 0.81 -0.41 0.20 4.39 -1.19 -0.72 114.58 117.99 3gpo h GLU 84 Ca 0.10 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3gpo h GLU 84 Cb 0.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3gpo h GLU 84 CO -0.01 0.81 0.05 1.25 -1.16 0.00 0.00 179.01 179.95 3gpo h LEU 85 N 0.76 0.67 -0.79 1.33 5.85 -1.05 -0.47 115.31 121.61 3gpo h LEU 85 Ca 0.15 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3gpo h LEU 85 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gpo h LEU 85 CO 0.02 0.78 0.03 0.00 -0.34 0.00 0.00 178.44 178.92 3gpo h ALA 86 N 0.92 0.99 -0.59 1.25 0.00 -1.10 -2.83 119.26 117.90 3gpo h ALA 86 Ca 0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3gpo h ALA 86 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gpo h ALA 86 CO 0.01 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.07 3gpo h ALA 87 N 1.15 0.77 -0.44 0.00 0.00 -0.85 -2.29 119.26 117.59 3gpo h ALA 87 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gpo h ALA 87 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gpo h ALA 87 CO 0.02 0.44 0.29 0.00 0.00 0.00 0.00 179.25 180.00 3gpo h ALA 88 N 1.05 0.56 -0.59 0.00 0.00 -0.85 -1.94 119.26 117.48 3gpo h ALA 88 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gpo h ALA 88 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gpo h ALA 88 CO -0.01 -0.00 0.14 1.88 0.00 0.00 0.00 179.25 181.26 3gpo h TYR 89 N 0.58 0.97 -0.95 0.00 -1.99 -1.42 -1.50 116.97 112.65 3gpo h TYR 89 Ca 0.17 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.84 3gpo h TYR 89 Cb -0.05 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 38.34 3gpo h TYR 89 CO -0.05 0.80 0.62 0.00 -0.00 0.00 0.00 178.16 179.53 3gpo h ARG 90 N 0.89 1.14 -0.33 4.88 3.08 -0.92 -1.25 114.38 121.86 3gpo h ARG 90 Ca 0.19 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 3gpo h ARG 90 Cb 0.33 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gpo h ARG 90 CO 0.00 0.75 -0.25 0.93 -1.07 0.00 0.00 179.97 180.34 3gpo h GLU 91 N 1.17 0.65 -0.37 0.04 4.39 -0.96 -1.87 114.58 117.62 3gpo h GLU 91 Ca 0.39 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3gpo h GLU 91 Cb 0.05 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3gpo h GLU 91 CO -0.14 0.84 0.18 0.28 -1.16 0.00 0.00 179.01 179.01 3gpo h VAL 92 N 0.56 0.98 -0.81 3.13 2.07 -0.73 -1.24 116.25 120.21 3gpo h VAL 92 Ca 0.08 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3gpo h VAL 92 Cb 0.72 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3gpo h VAL 92 CO 0.06 0.07 0.41 0.00 0.02 0.00 0.00 177.57 178.13 3gpo h ALA 93 N 1.20 1.21 -0.30 1.67 0.00 -0.90 -0.28 119.26 121.86 3gpo h ALA 93 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gpo h ALA 93 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gpo h ALA 93 CO -0.11 0.62 0.15 -0.22 0.00 0.00 0.00 179.25 179.69 3gpo h LYS 94 N 1.14 0.43 -0.34 0.00 3.64 -1.16 -0.81 116.57 119.47 3gpo h LYS 94 Ca 0.28 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3gpo h LYS 94 Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3gpo h LYS 94 CO -0.04 0.40 0.11 0.93 -2.27 0.00 0.00 179.45 178.58 3gpo h GLU 95 N 0.36 0.52 -0.77 1.90 4.39 -0.72 0.47 114.58 120.73 3gpo h GLU 95 Ca 0.10 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3gpo h GLU 95 Cb 0.10 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 3gpo h GLU 95 CO -0.01 0.55 0.47 0.28 -1.16 0.00 0.00 179.01 179.14 3gpo h VAL 96 N 0.39 1.06 0.34 3.13 2.07 -0.97 -0.03 116.25 122.25 3gpo h VAL 96 Ca 0.11 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3gpo h VAL 96 Cb 0.24 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3gpo h VAL 96 CO -0.00 0.16 -0.16 0.74 0.02 0.00 0.00 177.57 178.33 3gpo h THR 97 N 0.90 0.67 -0.92 2.57 2.02 -0.87 -2.43 112.91 114.85 3gpo h THR 97 Ca 0.32 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.49 3gpo h THR 97 Cb 0.09 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 3gpo h THR 97 CO -0.14 0.02 0.59 -0.09 0.37 0.00 0.00 175.52 176.27 3gpo h ARG 98 N -0.51 0.96 0.00 6.66 2.43 -0.52 -2.07 114.38 121.32 3gpo h ARG 98 Ca -0.05 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3gpo h ARG 98 Cb 0.38 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3gpo h ARG 98 CO 0.08 0.63 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.89 3gpo h LEU 99 N 0.99 0.00 0.10 3.80 3.38 -0.93 -3.47 115.31 119.18 3gpo h LEU 99 Ca 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 3gpo h LEU 99 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3gpo h LEU 99 CO -0.17 0.21 -0.04 0.61 0.09 0.00 0.00 178.44 179.14 3gpo n GLY 100 N 0.62 0.56 3.76 0.83 0.00 -0.78 -5.00 105.19 105.18 3gpo n GLY 100 Ca 0.02 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 3gpo n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpo s VAL 101 N -2.03 2.85 -0.58 1.61 -7.23 -1.24 -4.97 120.40 108.81 3gpo s VAL 101 Ca 0.00 0.52 0.24 0.00 -1.81 0.00 0.00 61.98 60.93 3gpo s VAL 101 Cb 0.00 -3.19 0.13 0.00 0.56 0.00 0.00 36.38 33.88 3gpo s VAL 101 CO 0.00 -0.12 1.42 0.78 -0.31 0.00 0.00 175.10 176.87 3gpo h ASN 102 N 0.92 0.00 -5.03 4.85 2.35 -1.94 -3.42 115.58 113.30 3gpo h ASN 102 Ca -0.50 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.10 3gpo h ASN 102 Cb 1.28 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.52 3gpo h ASN 102 CO 0.56 0.05 0.07 -0.94 -1.65 0.00 0.00 177.43 175.52 3gpo s SER 103 N -4.69 -0.42 -0.09 5.81 1.04 -1.26 -0.94 113.70 113.15 3gpo s SER 103 Ca 0.06 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 3gpo s SER 103 Cb 0.12 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3gpo s SER 103 CO 0.70 -0.89 0.25 0.54 0.98 0.00 0.00 173.24 174.81 3gpo s VAL 104 N -3.59 -0.01 -0.22 5.02 0.11 -0.45 -3.09 120.40 118.17 3gpo s VAL 104 Ca 0.01 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 3gpo s VAL 104 Cb 0.00 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3gpo s VAL 104 CO -0.11 0.01 0.25 0.00 -3.33 0.00 0.00 175.10 171.92 3gpo s ALA 105 N 0.31 3.60 -0.02 1.54 0.00 -0.50 -0.79 121.76 125.90 3gpo s ALA 105 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3gpo s ALA 105 Cb -0.03 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3gpo s ALA 105 CO -0.01 -0.19 -0.04 -1.50 0.00 0.00 0.00 175.76 174.02 3gpo s ILE 106 N 1.06 0.41 0.58 0.00 2.07 -0.08 -0.61 121.20 124.64 3gpo s ILE 106 Ca 0.12 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 3gpo s ILE 106 Cb -0.14 -0.39 0.05 0.00 0.13 0.00 0.00 42.46 42.10 3gpo s ILE 106 CO 0.05 0.15 0.82 -2.16 -1.91 0.00 0.00 174.94 171.89 3gpo s PRO 107 N 0.29 2.41 -0.54 3.50 0.04 -1.26 -1.01 135.00 138.43 3gpo s PRO 107 Ca -0.03 -0.79 -0.24 0.00 0.04 0.00 0.00 61.00 59.98 3gpo s PRO 107 Cb -0.07 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 32.07 3gpo s PRO 107 CO -0.00 -0.84 0.92 -0.51 0.04 0.00 0.00 177.00 176.61 3gpo s LEU 108 N -4.84 4.14 0.47 -3.56 1.43 -1.26 -4.94 118.68 110.11 3gpo s LEU 108 Ca 0.59 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 3gpo s LEU 108 Cb -0.10 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 3gpo s LEU 108 CO 0.40 -1.19 1.36 -0.76 0.23 0.00 0.00 176.35 176.39 3gpo s LEU 109 N 3.86 4.04 -1.86 1.79 1.43 -1.26 -3.13 118.68 123.55 3gpo s LEU 109 Ca 0.30 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 3gpo s LEU 109 Cb -0.13 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.04 3gpo s LEU 109 CO 0.20 -1.22 0.00 -1.20 0.23 0.00 0.00 176.35 174.36 3gpo n SER 110 N -0.41 -5.22 -0.68 2.29 7.64 -1.26 -4.80 113.62 111.18 3gpo n SER 110 Ca 0.07 0.36 0.08 0.00 1.01 0.00 0.00 58.87 60.39 3gpo n SER 110 Cb 0.44 -4.32 0.07 0.00 -1.01 0.00 0.00 64.21 59.39 3gpo n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gpo n THR 111 N -2.77 0.03 0.00 0.44 -2.24 -1.18 -2.98 114.28 105.57 3gpo n THR 111 Ca -0.19 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3gpo n THR 111 Cb 0.61 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 3gpo n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpo n GLY 112 N 0.94 1.20 0.29 3.38 0.00 -1.26 -4.68 105.19 105.06 3gpo n GLY 112 Ca 0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.31 3gpo n GLY 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gpo h VAL 113 N 0.00 0.00 -0.44 1.61 -1.51 -1.98 -1.47 116.25 112.46 3gpo h VAL 113 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3gpo h VAL 113 Cb 0.00 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3gpo h VAL 113 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 3gpo n TYR 114 N -3.00 0.58 0.42 5.19 4.02 -1.26 -4.46 117.16 118.63 3gpo n TYR 114 Ca -0.01 -0.29 0.13 0.00 -0.01 0.00 0.00 57.90 57.72 3gpo n TYR 114 Cb 0.20 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.01 3gpo n TYR 114 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gpo h SER 115 N 3.12 0.00 -1.66 7.72 4.64 -1.16 -1.00 113.55 125.21 3gpo h SER 115 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3gpo h SER 115 Cb 0.70 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 3gpo h SER 115 CO 0.00 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 176.18 3gpo n GLY 116 N 0.22 0.71 2.33 -0.77 0.00 -1.26 -2.72 105.19 103.71 3gpo n GLY 116 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gpo n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpo n GLY 117 N -0.91 0.87 3.90 -0.02 0.00 -1.26 -4.82 105.19 102.95 3gpo n GLY 117 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3gpo n GLY 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpo s LYS 118 N -0.20 3.32 -0.44 1.61 2.20 -1.10 -5.06 119.74 120.07 3gpo s LYS 118 Ca 0.00 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 3gpo s LYS 118 Cb 0.00 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 3gpo s LYS 118 CO 0.00 0.54 1.26 0.34 -0.36 0.00 0.00 175.35 177.13 3gpo s ASP 119 N -2.98 6.51 -0.17 1.43 -1.08 -1.26 -4.84 116.67 114.28 3gpo s ASP 119 Ca 0.34 0.66 0.15 0.00 -0.52 0.00 0.00 52.55 53.18 3gpo s ASP 119 Cb -0.11 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.15 3gpo s ASP 119 CO 0.27 -1.32 1.19 0.54 0.52 0.00 0.00 175.17 176.37 3gpo n ARG 120 N 7.91 1.45 0.09 4.34 1.74 -1.26 -4.79 116.66 126.14 3gpo n ARG 120 Ca 0.14 -2.92 -0.15 0.00 -0.77 0.00 0.00 57.85 54.15 3gpo n ARG 120 Cb 0.48 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3gpo n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gpo h LEU 121 N 0.48 -1.50 -0.43 0.55 6.46 -1.93 -0.29 115.31 118.65 3gpo h LEU 121 Ca 0.00 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.88 3gpo h LEU 121 Cb 1.01 0.56 -0.02 0.00 -0.73 0.00 0.00 40.66 41.49 3gpo h LEU 121 CO 0.01 -0.52 0.09 0.74 -0.62 0.00 0.00 178.44 178.14 3gpo h THR 122 N -0.69 1.24 -0.19 1.05 2.02 -1.99 -0.72 112.91 113.63 3gpo h THR 122 Ca 0.02 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.39 3gpo h THR 122 Cb 0.72 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3gpo h THR 122 CO -0.31 0.30 -0.04 -0.61 0.37 0.00 0.00 175.52 175.22 3gpo h GLN 123 N 0.57 0.01 -0.19 6.66 4.15 -1.88 -0.85 115.11 123.58 3gpo h GLN 123 Ca 0.13 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 3gpo h GLN 123 Cb 0.34 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3gpo h GLN 123 CO 0.00 0.00 -0.34 1.03 -1.93 0.00 0.00 178.83 177.59 3gpo h SER 124 N 0.01 0.63 -0.67 -0.69 0.87 -0.93 -2.82 113.55 109.95 3gpo h SER 124 Ca 0.09 -0.54 0.03 0.00 -1.23 0.00 0.00 61.79 60.14 3gpo h SER 124 Cb 0.14 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 3gpo h SER 124 CO -0.19 1.05 0.41 0.25 -0.53 0.00 0.00 176.83 177.83 3gpo h LEU 125 N 0.24 0.68 -0.80 2.23 5.85 -1.04 -1.12 115.31 121.34 3gpo h LEU 125 Ca 0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3gpo h LEU 125 Cb 0.94 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3gpo h LEU 125 CO 0.08 0.47 -0.05 0.78 -0.34 0.00 0.00 178.44 179.37 3gpo h ASN 126 N 0.81 0.83 -0.54 1.25 2.35 -1.16 0.40 115.58 119.53 3gpo h ASN 126 Ca 0.27 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3gpo h ASN 126 Cb 0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3gpo h ASN 126 CO -0.11 0.92 0.13 0.45 -1.65 0.00 0.00 177.43 177.17 3gpo h HIS 127 N 0.77 0.94 -0.07 1.19 3.86 -1.23 -1.05 115.15 119.57 3gpo h HIS 127 Ca 0.14 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gpo h HIS 127 Cb 0.54 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3gpo h HIS 127 CO 0.03 0.79 0.05 1.25 0.86 0.00 0.00 177.93 180.91 3gpo h LEU 128 N 0.87 0.09 -0.07 2.43 6.46 -0.37 -2.42 115.31 122.29 3gpo h LEU 128 Ca 0.19 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3gpo h LEU 128 Cb 0.33 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3gpo h LEU 128 CO 0.00 0.08 0.02 -0.26 -0.62 0.00 0.00 178.44 177.66 3gpo h PHE 129 N 0.08 0.03 -0.49 1.25 0.04 -0.74 -2.73 116.94 114.37 3gpo h PHE 129 Ca 0.03 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.90 3gpo h PHE 129 Cb 0.01 -0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.06 3gpo h PHE 129 CO -0.07 0.01 -0.14 1.15 -0.60 0.00 0.00 178.31 178.67 3gpo h THR 130 N 0.05 0.48 0.00 -1.55 2.02 -1.14 -0.92 112.91 111.85 3gpo h THR 130 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3gpo h THR 130 Cb 0.02 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3gpo h THR 130 CO -0.04 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.85 3gpo n ALA 131 N -2.88 1.91 0.00 6.16 0.00 -0.92 -4.47 120.51 120.31 3gpo n ALA 131 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gpo n ALA 131 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3gpo n ALA 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gpo n ASP 133 N 0.17 0.00 -0.64 0.00 8.00 -0.35 -4.49 116.55 119.24 3gpo n ASP 133 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 3gpo n ASP 133 Cb 0.14 -0.16 0.36 0.00 -0.02 0.00 0.00 41.12 41.44 3gpo n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gpo n SER 134 N 0.00 1.94 -4.93 -2.24 3.41 -1.26 -4.91 113.62 105.63 3gpo n SER 134 Ca 0.00 -1.74 -0.20 0.00 -0.26 0.00 0.00 58.87 56.67 3gpo n SER 134 Cb 0.00 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 3gpo n SER 134 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gpo s THR 135 N -1.78 4.30 -1.55 6.66 -4.23 -1.26 -5.02 115.64 112.77 3gpo s THR 135 Ca 0.34 -1.13 0.27 0.00 -1.18 0.00 0.00 61.69 59.98 3gpo s THR 135 Cb 0.19 -3.47 0.24 0.00 1.34 0.00 0.00 72.50 70.79 3gpo s THR 135 CO 0.28 -0.23 1.59 0.47 -0.54 0.00 0.00 174.62 176.19 3gpo n ASP 136 N -1.47 0.79 -4.76 3.99 10.43 -1.26 -4.98 116.55 119.30 3gpo n ASP 136 Ca -0.04 -0.66 -0.39 0.00 2.57 0.00 0.00 54.79 56.27 3gpo n ASP 136 Cb 0.58 0.11 -0.06 0.00 1.84 0.00 0.00 41.12 43.59 3gpo n ASP 136 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gpo s ALA 137 N -2.62 3.31 0.22 2.24 0.00 -1.26 -4.65 121.76 118.99 3gpo s ALA 137 Ca 0.22 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 3gpo s ALA 137 Cb 0.19 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3gpo s ALA 137 CO 0.55 0.19 1.50 -0.51 0.00 0.00 0.00 175.76 177.49 3gpo s ASP 138 N -1.29 6.61 -0.12 0.00 1.01 -0.11 -4.51 116.67 118.25 3gpo s ASP 138 Ca 0.44 2.67 0.01 0.00 0.71 0.00 0.00 52.55 56.38 3gpo s ASP 138 Cb -0.24 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.07 3gpo s ASP 138 CO 0.30 -0.77 -0.17 -0.69 0.21 0.00 0.00 175.17 174.05 3gpo s VAL 139 N 0.44 2.64 -0.18 -1.27 1.01 -0.04 -1.35 120.40 121.64 3gpo s VAL 139 Ca 0.64 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3gpo s VAL 139 Cb -0.43 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3gpo s VAL 139 CO 0.39 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 175.18 3gpo s VAL 140 N 0.41 1.82 -0.11 2.92 1.01 0.03 -1.21 120.40 125.27 3gpo s VAL 140 Ca -0.13 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 3gpo s VAL 140 Cb -0.17 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3gpo s VAL 140 CO 0.06 0.39 0.35 -0.63 0.00 0.00 0.00 175.10 175.27 3gpo s ILE 141 N 1.36 5.22 -0.08 2.22 1.01 0.19 -0.90 121.20 130.23 3gpo s ILE 141 Ca 0.03 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.39 3gpo s ILE 141 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3gpo s ILE 141 CO -0.11 0.44 -0.12 -0.31 0.00 0.00 0.00 174.94 174.84 3gpo s TYR 142 N 0.03 2.79 0.25 3.97 2.02 -0.18 -0.77 117.35 125.46 3gpo s TYR 142 Ca 0.20 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3gpo s TYR 142 Cb -0.14 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3gpo s TYR 142 CO 0.08 0.08 0.27 0.00 -1.57 0.00 0.00 175.55 174.41 3gpo n ARG 144 N -0.38 0.69 -3.69 0.00 5.12 -1.26 -4.25 116.66 112.89 3gpo n ARG 144 Ca 0.02 -0.03 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 3gpo n ARG 144 Cb 0.64 -1.09 -0.07 0.00 -1.16 0.00 0.00 32.46 30.78 3gpo n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpo s ASP 145 N -2.60 6.39 0.18 0.55 2.15 -1.26 -5.01 116.67 117.08 3gpo s ASP 145 Ca -0.01 0.46 -0.13 0.00 0.43 0.00 0.00 52.55 53.30 3gpo s ASP 145 Cb 0.02 -2.13 0.14 0.00 -0.30 0.00 0.00 42.92 40.66 3gpo s ASP 145 CO 0.15 0.24 1.77 0.11 -0.17 0.00 0.00 175.17 177.28 3gpo h LYS 146 N 5.96 0.44 -0.42 4.34 1.57 -1.99 -0.13 116.57 126.33 3gpo h LYS 146 Ca -0.46 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 3gpo h LYS 146 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3gpo h LYS 146 CO 0.69 0.29 -0.28 0.93 -0.57 0.00 0.00 179.45 180.50 3gpo h GLU 147 N 0.45 0.91 -0.66 3.15 4.39 -2.00 -2.44 114.58 118.38 3gpo h GLU 147 Ca 0.23 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3gpo h GLU 147 Cb 0.17 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3gpo h GLU 147 CO -0.18 1.07 0.36 -1.49 -1.16 0.00 0.00 179.01 177.61 3gpo h TRP 148 N 0.77 0.91 -0.50 4.33 4.06 -1.92 -1.43 115.95 122.18 3gpo h TRP 148 Ca 0.09 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.07 3gpo h TRP 148 Cb 0.85 -0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 28.67 3gpo h TRP 148 CO 0.05 0.65 0.20 1.49 -3.56 0.00 0.00 178.44 177.27 3gpo h GLU 149 N 0.90 0.38 -0.47 0.49 4.81 -0.85 0.11 114.58 119.95 3gpo h GLU 149 Ca 0.23 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3gpo h GLU 149 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3gpo h GLU 149 CO -0.04 0.25 0.25 0.87 -0.73 0.00 0.00 179.01 179.61 3gpo h LYS 150 N 0.39 0.67 -0.51 1.92 1.57 -1.09 -0.29 116.57 119.23 3gpo h LYS 150 Ca 0.23 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3gpo h LYS 150 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3gpo h LYS 150 CO -0.22 0.55 -0.17 0.87 -0.57 0.00 0.00 179.45 179.91 3gpo h LYS 151 N 0.62 1.00 -0.30 3.15 1.57 -0.77 -0.24 116.57 121.60 3gpo h LYS 151 Ca 0.16 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3gpo h LYS 151 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3gpo h LYS 151 CO -0.02 1.07 0.09 0.82 -0.57 0.00 0.00 179.45 180.84 3gpo h ILE 152 N 0.87 1.20 -0.64 1.86 2.04 -0.68 -1.74 117.51 120.42 3gpo h ILE 152 Ca 0.12 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3gpo h ILE 152 Cb 0.73 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3gpo h ILE 152 CO 0.06 0.21 0.38 -1.28 0.00 0.00 0.00 178.15 177.52 3gpo h SER 153 N 0.32 0.59 -0.74 1.72 0.87 -0.82 -1.31 113.55 114.19 3gpo h SER 153 Ca 0.10 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3gpo h SER 153 Cb 0.24 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3gpo h SER 153 CO -0.00 0.40 0.26 -0.33 -0.53 0.00 0.00 176.83 176.62 3gpo h GLU 154 N 0.72 1.13 -0.69 2.24 5.08 -0.93 -1.02 114.58 121.12 3gpo h GLU 154 Ca 0.27 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3gpo h GLU 154 Cb 0.09 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3gpo h GLU 154 CO -0.14 0.95 0.12 0.00 -1.00 0.00 0.00 179.01 178.95 3gpo h ALA 155 N 1.13 0.91 -0.01 3.43 0.00 -0.91 -2.75 119.26 121.06 3gpo h ALA 155 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gpo h ALA 155 Cb 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gpo h ALA 155 CO -0.01 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.74 3gpo h ILE 156 N 1.06 1.03 0.00 0.00 2.04 -0.94 -3.26 117.51 117.44 3gpo h ILE 156 Ca 0.21 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3gpo h ILE 156 Cb 0.44 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3gpo h ILE 156 CO 0.01 0.03 0.03 0.00 0.00 0.00 0.00 178.15 178.22 3gpo n GLN 157 N -5.07 0.21 0.00 2.37 1.13 -0.41 -3.78 117.38 111.82 3gpo n GLN 157 Ca -0.07 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 3gpo n GLN 157 Cb 0.05 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 28.98 3gpo n GLN 157 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3gpo n ARG 159 N 2.00 0.00 0.00 -1.09 1.74 -1.23 -5.10 116.66 112.97 3gpo n ARG 159 Ca 0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.20 3gpo n ARG 159 Cb 0.10 0.00 0.67 0.00 -1.02 0.00 0.00 32.46 32.21 3gpo n ARG 159 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36