#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n THR 3 N 0.00-11.13 -4.17 12.58 -1.04 -1.26 -5.00 114.28 104.26 3gtg n THR 3 Ca 0.00 2.66 -0.28 0.00 -2.04 0.00 0.00 64.05 64.39 3gtg n THR 3 Cb 0.00 -4.97 -0.03 0.00 -1.82 0.00 0.00 70.33 63.50 3gtg n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3gtg s PHE 4 N -0.42 1.81 0.18 -1.42 -0.12 -1.26 -5.03 117.98 111.72 3gtg s PHE 4 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 3gtg s PHE 4 Cb 0.00 -1.83 -0.04 0.00 -0.63 0.00 0.00 43.02 40.52 3gtg s PHE 4 CO 0.00 -0.19 0.06 0.50 -0.05 0.00 0.00 175.22 175.54 3gtg s ARG 5 N -4.12 1.14 0.23 1.99 6.06 -1.26 -5.12 118.95 117.88 3gtg s ARG 5 Ca 0.26 -1.57 0.10 0.00 -2.50 0.00 0.00 55.73 52.02 3gtg s ARG 5 Cb -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 34.95 34.93 3gtg s ARG 5 CO 0.16 -0.25 -0.10 -0.06 -2.50 0.00 0.00 175.30 172.56 3gtg s PHE 6 N -3.87 2.56 0.22 5.12 0.40 -1.26 -3.43 117.98 117.71 3gtg s PHE 6 Ca 0.29 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.27 3gtg s PHE 6 Cb 0.07 -1.18 -0.07 0.00 0.51 0.00 0.00 43.02 42.35 3gtg s PHE 6 CO 0.07 0.60 0.55 0.00 0.70 0.00 0.00 175.22 177.13 3gtg n ARG 8 N 0.00 0.14 0.00 0.00 1.85 -1.26 -2.80 116.66 114.59 3gtg n ARG 8 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3gtg n ARG 8 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 3gtg n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gtg n ASP 9 N -1.97 0.00 0.00 2.89 8.00 -1.26 -2.89 116.55 121.33 3gtg n ASP 9 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3gtg n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3gtg n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtg n ASN 11 N -0.38 -6.15 -2.05 0.00 4.05 -1.12 -5.05 115.26 104.56 3gtg n ASN 11 Ca 0.00 -0.52 -0.04 0.00 0.45 0.00 0.00 54.58 54.48 3gtg n ASN 11 Cb 0.00 -3.23 -0.01 0.00 1.23 0.00 0.00 39.78 37.77 3gtg n ASN 11 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gtg n ASN 12 N -2.07 1.53 -4.89 1.20 5.03 -1.26 -4.93 115.26 109.87 3gtg n ASN 12 Ca -0.17 -1.29 -0.29 0.00 0.87 0.00 0.00 54.58 53.70 3gtg n ASN 12 Cb 0.61 0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 39.46 3gtg n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3gtg s MET 13 N -2.22 3.59 -0.03 3.52 1.75 -1.26 -3.02 119.30 121.62 3gtg s MET 13 Ca 0.01 0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 54.85 3gtg s MET 13 Cb 0.00 -2.29 -0.04 0.00 2.84 0.00 0.00 34.83 35.35 3gtg s MET 13 CO 0.01 -0.29 0.03 -0.51 -0.65 0.00 0.00 175.02 173.61 3gtg s LEU 14 N -4.76 3.66 -0.29 4.11 1.43 -1.22 -4.35 118.68 117.26 3gtg s LEU 14 Ca 0.50 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3gtg s LEU 14 Cb -0.10 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.17 3gtg s LEU 14 CO 0.46 0.31 0.05 -0.31 0.23 0.00 0.00 176.35 177.09 3gtg s TYR 15 N -1.05 2.15 0.70 0.29 1.51 -0.39 -4.84 117.35 115.71 3gtg s TYR 15 Ca 0.18 -1.88 -0.17 0.00 -1.01 0.00 0.00 57.07 54.20 3gtg s TYR 15 Cb -0.12 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.82 3gtg s TYR 15 CO 0.09 -0.84 0.25 -2.30 -1.11 0.00 0.00 175.55 171.63 3gtg n PRO 16 N 4.72 0.22 -3.75 -1.71 -0.02 -1.26 -4.08 135.00 129.12 3gtg n PRO 16 Ca -0.04 0.10 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 3gtg n PRO 16 Cb 0.43 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 3gtg n PRO 16 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3gtg s ARG 17 N -2.27 0.53 0.16 -0.52 3.52 -0.82 -4.98 118.95 114.57 3gtg s ARG 17 Ca 0.61 0.23 -0.27 0.00 -0.13 0.00 0.00 55.73 56.17 3gtg s ARG 17 Cb -0.37 0.25 -0.07 0.00 -1.56 0.00 0.00 34.95 33.19 3gtg s ARG 17 CO 0.62 -0.11 0.84 -2.00 -0.81 0.00 0.00 175.30 173.85 3gtg s GLU 18 N -0.41 4.65 -0.72 5.12 2.12 -1.26 -1.78 118.70 126.42 3gtg s GLU 18 Ca -0.05 1.27 -0.23 0.00 0.36 0.00 0.00 54.97 56.32 3gtg s GLU 18 Cb -0.03 -3.30 0.07 0.00 0.26 0.00 0.00 34.13 31.12 3gtg s GLU 18 CO 0.02 0.45 1.07 0.34 -0.54 0.00 0.00 175.26 176.60 3gtg s ASP 19 N -0.79 6.23 0.09 -1.70 3.68 0.35 -4.93 116.67 119.60 3gtg s ASP 19 Ca 0.39 -1.00 -0.22 0.00 2.13 0.00 0.00 52.55 53.85 3gtg s ASP 19 Cb -0.23 -2.45 -0.07 0.00 -1.45 0.00 0.00 42.92 38.72 3gtg s ASP 19 CO 0.28 -1.49 1.37 0.11 0.13 0.00 0.00 175.17 175.56 3gtg h LYS 20 N 9.61 -0.19 0.37 4.34 1.79 -1.95 -2.00 116.57 128.53 3gtg h LYS 20 Ca -0.22 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3gtg h LYS 20 Cb 1.06 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 3gtg h LYS 20 CO 1.21 -0.13 -0.33 0.93 -1.08 0.00 0.00 179.45 180.05 3gtg h GLU 21 N -0.20 -0.69 -0.17 3.15 5.08 -1.99 -3.34 114.58 116.43 3gtg h GLU 21 Ca 0.07 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gtg h GLU 21 Cb 0.37 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3gtg h GLU 21 CO -0.47 -0.46 0.00 -1.71 -1.00 0.00 0.00 179.01 175.37 3gtg n ASN 22 N -5.45 2.43 -2.85 1.42 5.15 -1.22 -5.03 115.26 109.71 3gtg n ASN 22 Ca -0.10 -1.71 -0.01 0.00 -0.60 0.00 0.00 54.58 52.15 3gtg n ASN 22 Cb 0.35 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 3gtg n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtg n ASN 23 N 0.64 -7.16 -1.49 1.20 3.02 -0.75 -5.08 115.26 105.64 3gtg n ASN 23 Ca 0.09 0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.64 3gtg n ASN 23 Cb 0.36 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 3gtg n ASN 23 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3gtg n ARG 24 N -1.46 0.25 -5.15 3.52 1.85 -1.25 -4.99 116.66 109.45 3gtg n ARG 24 Ca 0.02 -0.64 -0.30 0.00 -1.00 0.00 0.00 57.85 55.93 3gtg n ARG 24 Cb 0.48 0.72 -0.16 0.00 -1.05 0.00 0.00 32.46 32.46 3gtg n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3gtg s LEU 25 N 0.00 2.03 -0.10 2.89 2.96 -1.26 -0.49 118.68 124.71 3gtg s LEU 25 Ca 0.06 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3gtg s LEU 25 Cb -0.01 -1.24 0.04 0.00 0.50 0.00 0.00 46.19 45.48 3gtg s LEU 25 CO 0.04 0.24 0.06 -0.76 -1.32 0.00 0.00 176.35 174.61 3gtg s LEU 26 N -0.23 0.36 0.65 -0.68 1.43 -0.73 -2.41 118.68 117.06 3gtg s LEU 26 Ca -0.00 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 3gtg s LEU 26 Cb -0.12 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 3gtg s LEU 26 CO 0.02 -0.28 1.03 -0.36 0.23 0.00 0.00 176.35 177.00 3gtg s PHE 27 N 2.10 3.43 -0.20 0.29 0.40 -1.00 -1.94 117.98 121.08 3gtg s PHE 27 Ca 0.04 1.07 -0.36 0.00 -0.60 0.00 0.00 56.93 57.08 3gtg s PHE 27 Cb -0.14 -2.87 0.14 0.00 0.51 0.00 0.00 43.02 40.66 3gtg s PHE 27 CO -0.06 -0.93 1.27 -1.83 0.70 0.00 0.00 175.22 174.38 3gtg s GLU 28 N -5.22 0.23 0.04 0.44 4.04 -1.26 -3.10 118.70 113.87 3gtg s GLU 28 Ca 0.56 -0.09 0.03 0.00 0.04 0.00 0.00 54.97 55.51 3gtg s GLU 28 Cb -0.11 0.10 -0.04 0.00 0.02 0.00 0.00 34.13 34.11 3gtg s GLU 28 CO 0.51 -0.10 -0.02 0.00 -1.84 0.00 0.00 175.26 173.81 3gtg n ARG 30 N 1.05 1.25 0.00 0.00 1.85 -1.26 -4.17 116.66 115.38 3gtg n ARG 30 Ca -0.13 -0.53 -0.01 0.00 -1.00 0.00 0.00 57.85 56.18 3gtg n ARG 30 Cb 0.52 -1.21 -0.00 0.00 -1.05 0.00 0.00 32.46 30.72 3gtg n ARG 30 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3gtg n THR 31 N 0.66 0.57 0.00 8.89 -1.04 -1.26 -5.06 114.28 117.04 3gtg n THR 31 Ca 0.10 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 3gtg n THR 31 Cb 0.61 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3gtg n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtg n SER 33 N 0.00 0.00 -2.86 0.00 7.64 -1.26 -4.99 113.62 112.14 3gtg n SER 33 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 3gtg n SER 33 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3gtg n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtg n TYR 34 N -0.42 0.61 -3.75 1.43 9.36 -1.26 -4.73 117.16 118.40 3gtg n TYR 34 Ca 0.00 0.68 -0.26 0.00 3.32 0.00 0.00 57.90 61.64 3gtg n TYR 34 Cb 0.00 -1.33 -0.17 0.00 -0.63 0.00 0.00 39.34 37.21 3gtg n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gtg s VAL 35 N 0.56 0.49 0.43 2.97 1.01 -1.26 -3.52 120.40 121.08 3gtg s VAL 35 Ca 0.60 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3gtg s VAL 35 Cb -0.84 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3gtg s VAL 35 CO 0.40 -0.08 0.62 -1.83 0.00 0.00 0.00 175.10 174.22 3gtg s GLU 36 N 1.89 2.97 0.58 2.72 -1.05 -1.18 -4.97 118.70 119.65 3gtg s GLU 36 Ca 0.01 -0.75 -0.07 0.00 -0.15 0.00 0.00 54.97 54.01 3gtg s GLU 36 Cb -0.16 -2.64 0.13 0.00 -0.44 0.00 0.00 34.13 31.02 3gtg s GLU 36 CO -0.07 -0.26 0.79 -0.85 0.95 0.00 0.00 175.26 175.82 3gtg n GLU 37 N -1.98 -0.49 -3.38 -4.83 0.28 -1.26 -2.37 120.64 106.60 3gtg n GLU 37 Ca 0.03 -1.49 -0.25 0.00 -0.16 0.00 0.00 57.16 55.29 3gtg n GLU 37 Cb 0.58 -0.72 -0.02 0.00 1.43 0.00 0.00 31.44 32.71 3gtg n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gtg s ALA 38 N -3.64 3.69 0.00 -1.84 0.00 -1.01 -4.62 121.76 114.33 3gtg s ALA 38 Ca 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3gtg s ALA 38 Cb -0.02 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3gtg s ALA 38 CO 0.32 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3gtg n GLY 39 N -1.54 0.20 3.88 0.00 0.00 -1.26 -5.04 105.19 101.43 3gtg n GLY 39 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3gtg n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtg s SER 40 N -1.00 6.53 0.00 1.61 1.04 -1.26 -4.99 113.70 115.62 3gtg s SER 40 Ca 0.00 0.61 0.10 0.00 0.48 0.00 0.00 55.95 57.14 3gtg s SER 40 Cb 0.00 -2.11 0.58 0.00 0.10 0.00 0.00 66.02 64.59 3gtg s SER 40 CO 0.00 0.22 1.08 -2.65 0.98 0.00 0.00 173.24 172.87 3gtg n PRO 41 N 0.99 0.28 -2.37 4.02 -0.02 -1.26 -4.68 135.00 131.96 3gtg n PRO 41 Ca -0.10 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.00 3gtg n PRO 41 Cb 0.53 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 3gtg n PRO 41 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtg s LEU 42 N -2.12 4.22 -0.17 2.45 2.96 -1.26 -4.89 118.68 119.86 3gtg s LEU 42 Ca 0.14 1.79 -0.04 0.00 -0.22 0.00 0.00 54.13 55.80 3gtg s LEU 42 Cb 0.07 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 3gtg s LEU 42 CO 0.12 -0.75 -0.18 0.52 -1.32 0.00 0.00 176.35 174.74 3gtg n VAL 43 N 5.24 0.95 -4.18 1.68 0.31 -1.26 -4.96 118.33 116.11 3gtg n VAL 43 Ca 0.14 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 3gtg n VAL 43 Cb 0.45 -1.40 -0.13 0.00 -0.91 0.00 0.00 33.84 31.85 3gtg n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gtg s TYR 44 N -2.32 0.66 -0.10 3.52 5.04 -1.26 -5.01 117.35 117.88 3gtg s TYR 44 Ca -0.23 -0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.09 3gtg s TYR 44 Cb 0.07 -0.41 0.04 0.00 0.35 0.00 0.00 41.96 42.02 3gtg s TYR 44 CO 0.34 -0.03 0.24 0.50 -1.34 0.00 0.00 175.55 175.27 3gtg s ARG 45 N -0.69 0.21 -0.15 4.97 3.52 -1.26 -5.08 118.95 120.47 3gtg s ARG 45 Ca -0.01 0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.95 3gtg s ARG 45 Cb -0.05 -0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 3gtg s ARG 45 CO 0.00 -0.14 -0.25 1.58 -0.81 0.00 0.00 175.30 175.67 3gtg n HIS 46 N 4.05 0.37 -1.89 5.12 -0.00 -1.26 -5.08 115.22 116.54 3gtg n HIS 46 Ca -0.24 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 3gtg n HIS 46 Cb 0.54 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 3gtg n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3gtg n GLU 47 N -4.34 -4.97 -0.02 1.57 1.02 -1.26 -5.01 120.64 107.62 3gtg n GLU 47 Ca -0.10 3.60 -0.03 0.00 -0.02 0.00 0.00 57.16 60.61 3gtg n GLU 47 Cb 0.37 -4.02 -0.02 0.00 -0.02 0.00 0.00 31.44 27.76 3gtg n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gtg n LEU 48 N 0.38 2.52 -4.71 -4.62 4.77 -1.26 -4.93 117.00 109.14 3gtg n LEU 48 Ca 0.00 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 3gtg n LEU 48 Cb 0.00 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3gtg n LEU 48 CO 0.00 0.49 -0.02 -0.63 -1.33 0.00 0.00 177.39 175.90 3gtg s ILE 49 N -2.09 5.30 -0.06 -0.08 1.01 -1.26 -5.10 121.20 118.93 3gtg s ILE 49 Ca -0.06 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.12 3gtg s ILE 49 Cb 0.02 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3gtg s ILE 49 CO 0.10 0.37 -0.07 -0.89 0.00 0.00 0.00 174.94 174.45 3gtg s THR 50 N 0.62 0.76 -1.45 2.92 2.01 -1.26 -5.03 115.64 114.21 3gtg s THR 50 Ca 0.16 -0.23 0.26 0.00 0.31 0.00 0.00 61.69 62.19 3gtg s THR 50 Cb -0.13 -0.76 0.17 0.00 0.01 0.00 0.00 72.50 71.79 3gtg s THR 50 CO 0.04 0.28 1.51 0.59 -0.69 0.00 0.00 174.62 176.35 3gtg n ASN 51 N 4.17 0.80 -4.48 3.53 4.13 -1.26 -4.88 115.26 117.28 3gtg n ASN 51 Ca -0.21 -0.63 -0.27 0.00 1.68 0.00 0.00 54.58 55.15 3gtg n ASN 51 Cb 0.51 0.18 -0.11 0.00 -1.54 0.00 0.00 39.78 38.82 3gtg n ASN 51 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3gtg s ILE 52 N -2.70 2.72 0.00 2.41 1.10 -1.26 -4.17 121.20 119.30 3gtg s ILE 52 Ca 0.19 -1.78 0.00 0.00 -0.51 0.00 0.00 60.65 58.55 3gtg s ILE 52 Cb 0.19 -2.30 0.00 0.00 0.15 0.00 0.00 42.46 40.49 3gtg s ILE 52 CO 0.59 -0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.98 3gtg n GLY 53 N 0.35 3.05 0.13 1.50 0.00 -1.26 -4.97 105.19 103.99 3gtg n GLY 53 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 3gtg n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gtg h GLU 54 N 1.96 -0.31 -5.07 1.61 5.08 -1.89 -3.12 114.58 112.83 3gtg h GLU 54 Ca 0.00 0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.71 3gtg h GLU 54 Cb 0.00 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.15 3gtg h GLU 54 CO 0.00 -0.21 0.40 0.99 -1.00 0.00 0.00 179.01 179.19 3gtg s THR 55 N -3.36 4.59 -0.02 1.13 2.01 -1.26 -2.69 115.64 116.03 3gtg s THR 55 Ca -0.05 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3gtg s THR 55 Cb 0.00 -4.62 -0.00 0.00 0.01 0.00 0.00 72.50 67.90 3gtg s THR 55 CO 0.14 -1.33 -0.13 0.00 -0.69 0.00 0.00 174.62 172.62 3gtg s ALA 56 N 3.30 1.12 0.00 7.40 0.00 -1.26 -4.85 121.76 127.46 3gtg s ALA 56 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3gtg s ALA 56 Cb -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3gtg s ALA 56 CO 0.06 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.45 3gtg n GLY 57 N 3.06 2.45 3.64 0.00 0.00 -1.26 -5.00 105.19 108.08 3gtg n GLY 57 Ca -0.17 -0.04 -0.62 0.00 0.00 0.00 0.00 46.02 45.19 3gtg n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtg n VAL 58 N 0.00 0.04 -3.39 1.61 0.31 -1.26 -4.95 118.33 110.68 3gtg n VAL 58 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3gtg n VAL 58 Cb 0.00 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3gtg n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3gtg n VAL 59 N 3.03 0.00 -0.79 2.52 0.31 -1.26 -5.01 118.33 117.13 3gtg n VAL 59 Ca 0.25 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.66 3gtg n VAL 59 Cb 0.03 -0.08 0.31 0.00 -0.91 0.00 0.00 33.84 33.20 3gtg n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3gtg n GLN 60 N -0.04 3.67 0.00 5.55 -0.06 -1.26 -4.44 117.38 120.80 3gtg n GLN 60 Ca 0.00 -2.86 0.00 0.00 -2.00 0.00 0.00 57.00 52.14 3gtg n GLN 60 Cb 0.00 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.27 3gtg n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3gtg n ASP 61 N 0.31 1.18 0.08 1.69 9.92 -1.26 -4.79 116.55 123.68 3gtg n ASP 61 Ca 0.23 -1.45 -0.15 0.00 -0.53 0.00 0.00 54.79 52.90 3gtg n ASP 61 Cb 0.93 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.34 3gtg n ASP 61 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3gtg h ILE 62 N 0.59 1.41 0.00 0.53 2.10 -1.96 -3.31 117.51 116.86 3gtg h ILE 62 Ca 0.00 -2.56 0.00 0.00 1.08 0.00 0.00 64.86 63.38 3gtg h ILE 62 Cb 0.44 2.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.71 3gtg h ILE 62 CO 0.00 0.76 0.00 0.61 -1.08 0.00 0.00 178.15 178.44 3gtg n GLY 63 N 1.10 0.49 0.00 8.18 0.00 -1.26 -0.96 105.19 112.73 3gtg n GLY 63 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3gtg n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtg n SER 64 N 0.84 0.76 -4.66 1.61 3.41 -1.25 -5.07 113.62 109.26 3gtg n SER 64 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.15 3gtg n SER 64 Cb 0.12 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 3gtg n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtg n ASP 65 N -0.24 3.67 0.08 4.04 2.03 -0.13 -4.88 116.55 121.12 3gtg n ASP 65 Ca 0.00 0.88 -0.09 0.00 0.52 0.00 0.00 54.79 56.10 3gtg n ASP 65 Cb 0.00 -1.44 -0.00 0.00 -0.72 0.00 0.00 41.12 38.96 3gtg n ASP 65 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gtg h PRO 66 N 10.18 0.24 -1.00 -0.67 0.11 -1.98 -3.30 132.00 135.59 3gtg h PRO 66 Ca -0.48 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.38 3gtg h PRO 66 Cb 1.26 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3gtg h PRO 66 CO 0.95 0.96 0.00 0.25 -0.21 0.00 0.00 178.00 179.95 3gtg n THR 67 N -3.70 0.34 -3.83 -1.15 -2.24 -1.26 -4.66 114.28 97.78 3gtg n THR 67 Ca -0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 3gtg n THR 67 Cb 0.79 -0.59 -0.17 0.00 -2.10 0.00 0.00 70.33 68.26 3gtg n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtg s LEU 68 N 0.00 0.83 1.03 3.22 1.43 -1.24 -5.15 118.68 118.79 3gtg s LEU 68 Ca 0.00 -0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 3gtg s LEU 68 Cb 0.00 -0.22 -0.08 0.00 0.03 0.00 0.00 46.19 45.91 3gtg s LEU 68 CO 0.00 -0.15 -0.86 -0.81 0.23 0.00 0.00 176.35 174.76 3gtg n PRO 69 N 4.58 -0.51 -3.41 1.29 -0.04 -1.26 -4.90 135.00 130.75 3gtg n PRO 69 Ca -0.18 -0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.07 3gtg n PRO 69 Cb 0.50 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 3gtg n PRO 69 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gtg s ARG 70 N -2.55 0.38 0.50 0.54 0.52 -1.26 -3.89 118.95 113.19 3gtg s ARG 70 Ca 0.44 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.42 3gtg s ARG 70 Cb -0.02 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 3gtg s ARG 70 CO 0.68 -0.53 0.03 -1.54 0.02 0.00 0.00 175.30 173.97 3gtg s SER 71 N 2.62 3.87 -0.11 0.23 1.04 -1.26 -5.04 113.70 115.05 3gtg s SER 71 Ca 0.10 -1.69 0.02 0.00 0.48 0.00 0.00 55.95 54.86 3gtg s SER 71 Cb -0.14 0.60 0.22 0.00 0.10 0.00 0.00 66.02 66.80 3gtg s SER 71 CO -0.16 -0.91 1.13 -0.90 0.98 0.00 0.00 173.24 173.38 3gtg n ASP 72 N -1.32 2.94 -2.86 7.02 5.75 -1.26 -4.62 116.55 122.20 3gtg n ASP 72 Ca -0.17 -2.41 -0.06 0.00 -0.01 0.00 0.00 54.79 52.13 3gtg n ASP 72 Cb 0.66 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 40.23 3gtg n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gtg n ARG 73 N 0.07 -1.95 -3.87 0.11 5.12 -1.26 -5.04 116.66 109.84 3gtg n ARG 73 Ca 0.15 -0.34 -0.12 0.00 -1.93 0.00 0.00 57.85 55.60 3gtg n ARG 73 Cb 0.74 -0.37 -0.13 0.00 -1.16 0.00 0.00 32.46 31.54 3gtg n ARG 73 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3gtg s GLU 74 N -3.49 0.10 -0.06 5.56 2.12 -1.26 -4.58 118.70 117.09 3gtg s GLU 74 Ca 0.15 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 3gtg s GLU 74 Cb -0.02 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 3gtg s GLU 74 CO 0.12 -0.01 1.08 0.00 -0.54 0.00 0.00 175.26 175.90 3gtg h PRO 76 N 7.13 0.00 0.00 0.00 0.11 -1.98 -2.99 132.00 134.26 3gtg h PRO 76 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3gtg h PRO 76 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gtg h PRO 76 CO 0.84 0.00 -0.96 1.63 -0.21 0.00 0.00 178.00 179.30 3gtg n LYS 77 N -3.84 0.47 0.01 1.05 5.02 -1.26 -4.86 118.16 114.75 3gtg n LYS 77 Ca 0.18 0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 3gtg n LYS 77 Cb 1.03 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 34.60 3gtg n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gtg n HIS 79 N -2.27 0.00 -1.95 0.00 8.25 -1.13 -4.97 115.22 113.14 3gtg n HIS 79 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 3gtg n HIS 79 Cb 0.54 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 3gtg n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gtg s SER 80 N -3.91 6.56 0.00 0.41 1.04 -1.26 -4.58 113.70 111.95 3gtg s SER 80 Ca 0.00 2.82 0.05 0.00 0.48 0.00 0.00 55.95 59.30 3gtg s SER 80 Cb 0.00 -2.64 0.23 0.00 0.10 0.00 0.00 66.02 63.70 3gtg s SER 80 CO 0.00 -0.74 1.16 0.54 0.98 0.00 0.00 173.24 175.18 3gtg n ARG 81 N 1.39 1.18 -2.91 4.02 1.74 -1.26 -3.92 116.66 116.89 3gtg n ARG 81 Ca 0.04 -0.28 -0.40 0.00 -0.77 0.00 0.00 57.85 56.44 3gtg n ARG 81 Cb 0.40 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 3gtg n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gtg s GLU 82 N -1.90 4.58 -0.17 5.56 0.41 -1.26 -4.59 118.70 121.33 3gtg s GLU 82 Ca 0.09 1.20 -0.35 0.00 -0.41 0.00 0.00 54.97 55.51 3gtg s GLU 82 Cb 0.05 -3.33 0.15 0.00 -1.78 0.00 0.00 34.13 29.21 3gtg s GLU 82 CO 0.07 0.36 1.35 0.54 -0.49 0.00 0.00 175.26 177.08 3gtg s ASN 83 N -0.40 -0.04 0.24 -0.19 6.03 -1.26 -3.59 114.94 115.72 3gtg s ASN 83 Ca 0.40 -0.03 0.04 0.00 -1.03 0.00 0.00 52.86 52.24 3gtg s ASN 83 Cb -0.22 0.06 -0.05 0.00 -3.03 0.00 0.00 41.25 38.01 3gtg s ASN 83 CO 0.26 -0.11 -0.01 0.54 -2.03 0.00 0.00 177.10 175.76 3gtg s VAL 84 N -2.17 1.08 0.35 3.54 0.11 -0.99 -4.09 120.40 118.23 3gtg s VAL 84 Ca 0.13 -2.04 -0.04 0.00 -2.93 0.00 0.00 61.98 57.09 3gtg s VAL 84 Cb 0.02 -2.36 0.01 0.00 -1.53 0.00 0.00 36.38 32.52 3gtg s VAL 84 CO -0.04 -0.32 0.53 0.72 -3.33 0.00 0.00 175.10 172.66 3gtg s PHE 85 N -3.39 0.94 0.00 1.54 -0.12 -1.25 -0.76 117.98 114.94 3gtg s PHE 85 Ca 0.29 -1.24 0.00 0.00 -0.05 0.00 0.00 56.93 55.93 3gtg s PHE 85 Cb 0.06 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 3gtg s PHE 85 CO 0.09 -1.21 0.00 1.97 -0.05 0.00 0.00 175.22 176.02 3gtg n PHE 86 N -0.57 0.00 -2.63 3.49 1.16 -1.11 -4.55 117.46 113.25 3gtg n PHE 86 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 3gtg n PHE 86 Cb 0.61 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.43 3gtg n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3gtg s GLN 87 N -2.00 4.15 -0.29 3.97 -0.21 -1.26 -0.87 119.66 123.15 3gtg s GLN 87 Ca 0.00 1.37 -0.32 0.00 0.02 0.00 0.00 55.36 56.44 3gtg s GLN 87 Cb 0.00 -2.40 -0.14 0.00 1.00 0.00 0.00 33.01 31.47 3gtg s GLN 87 CO 0.00 -0.13 1.05 0.45 -2.12 0.00 0.00 175.29 174.54 3gtg n SER 88 N -0.30 0.71 -0.15 5.90 2.88 -1.21 -4.76 113.62 116.69 3gtg n SER 88 Ca 0.06 0.81 0.01 0.00 -1.33 0.00 0.00 58.87 58.42 3gtg n SER 88 Cb 0.51 -0.61 0.03 0.00 -0.75 0.00 0.00 64.21 63.40 3gtg n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gtg n GLN 89 N 2.50 1.17 -2.61 -1.46 6.02 -1.10 -4.49 117.38 117.42 3gtg n GLN 89 Ca 0.20 -0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 3gtg n GLN 89 Cb -0.03 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 3gtg n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3gtg s GLN 90 N -1.88 3.50 -1.19 -1.09 0.74 -1.18 -4.85 119.66 113.71 3gtg s GLN 90 Ca 0.05 -1.01 -0.08 0.00 0.05 0.00 0.00 55.36 54.37 3gtg s GLN 90 Cb 0.03 -5.06 -0.08 0.00 1.10 0.00 0.00 33.01 29.00 3gtg s GLN 90 CO 0.03 -2.14 2.99 0.54 -0.55 0.00 0.00 175.29 176.17 3gtg n ARG 91 N 8.70 3.44 -2.62 1.67 5.12 -1.26 -4.85 116.66 126.86 3gtg n ARG 91 Ca 0.25 -2.18 -0.23 0.00 -1.93 0.00 0.00 57.85 53.76 3gtg n ARG 91 Cb 0.50 -2.58 0.03 0.00 -1.16 0.00 0.00 32.46 29.26 3gtg n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gtg s ARG 92 N 1.17 2.67 0.32 5.56 3.52 -1.26 -5.04 118.95 125.89 3gtg s ARG 92 Ca 0.66 -0.51 0.17 0.00 -0.13 0.00 0.00 55.73 55.92 3gtg s ARG 92 Cb 0.22 -2.42 0.20 0.00 -1.56 0.00 0.00 34.95 31.39 3gtg s ARG 92 CO -0.06 -0.69 1.51 0.87 -0.81 0.00 0.00 175.30 176.12 3gtg h LYS 93 N 0.01 0.00 -0.13 5.12 1.57 -2.04 -3.35 116.57 117.74 3gtg h LYS 93 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3gtg h LYS 93 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gtg h LYS 93 CO 0.56 0.41 0.00 -0.40 -0.57 0.00 0.00 179.45 179.45 3gtg n ASP 94 N -3.24 2.31 -4.73 0.86 3.85 -1.26 -5.05 116.55 109.30 3gtg n ASP 94 Ca 0.02 -1.66 -0.31 0.00 -0.71 0.00 0.00 54.79 52.13 3gtg n ASP 94 Cb 0.68 -0.08 0.12 0.00 -1.35 0.00 0.00 41.12 40.48 3gtg n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3gtg s THR 95 N -0.99 2.76 0.99 2.12 2.01 -1.26 -5.02 115.64 116.27 3gtg s THR 95 Ca 0.17 0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 3gtg s THR 95 Cb 0.11 -2.58 0.19 0.00 0.01 0.00 0.00 72.50 70.22 3gtg s THR 95 CO 0.15 -0.31 1.15 -0.94 -0.69 0.00 0.00 174.62 173.98 3gtg s SER 96 N -2.96 2.76 -0.48 3.53 1.04 -1.26 -4.98 113.70 111.36 3gtg s SER 96 Ca 0.65 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.96 3gtg s SER 96 Cb -0.20 -1.31 0.44 0.00 0.10 0.00 0.00 66.02 65.05 3gtg s SER 96 CO 0.55 -3.01 1.52 0.80 0.98 0.00 0.00 173.24 174.08 3gtg n MET 97 N -4.05 3.23 -3.47 4.02 1.56 -1.26 -4.68 117.12 112.47 3gtg n MET 97 Ca 0.09 -3.88 -0.33 0.00 -0.27 0.00 0.00 57.70 53.30 3gtg n MET 97 Cb 0.59 -2.28 -0.05 0.00 2.15 0.00 0.00 33.22 33.63 3gtg n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3gtg s VAL 98 N -4.84 4.98 0.08 1.12 1.01 -1.26 -4.97 120.40 116.52 3gtg s VAL 98 Ca 0.55 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 3gtg s VAL 98 Cb 0.44 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 3gtg s VAL 98 CO -0.05 0.07 0.49 -0.76 0.00 0.00 0.00 175.10 174.86 3gtg s LEU 99 N -2.46 4.43 -0.31 3.92 1.43 -1.26 -3.30 118.68 121.12 3gtg s LEU 99 Ca 0.42 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.59 3gtg s LEU 99 Cb -0.13 -2.95 0.10 0.00 0.03 0.00 0.00 46.19 43.24 3gtg s LEU 99 CO 0.21 0.22 0.06 -0.36 0.23 0.00 0.00 176.35 176.70 3gtg s PHE 100 N -1.26 2.74 -0.14 0.29 0.40 -0.05 -2.85 117.98 117.11 3gtg s PHE 100 Ca 0.31 -2.33 -0.22 0.00 -0.60 0.00 0.00 56.93 54.09 3gtg s PHE 100 Cb -0.16 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 3gtg s PHE 100 CO 0.17 -0.90 0.69 -0.06 0.70 0.00 0.00 175.22 175.82 3gtg s PHE 101 N 1.26 3.46 -0.26 0.36 0.40 0.20 -2.73 117.98 120.66 3gtg s PHE 101 Ca 0.08 1.10 -0.05 0.00 -0.60 0.00 0.00 56.93 57.47 3gtg s PHE 101 Cb -0.18 -2.83 0.01 0.00 0.51 0.00 0.00 43.02 40.52 3gtg s PHE 101 CO -0.15 -0.08 0.02 0.08 0.70 0.00 0.00 175.22 175.79 3gtg s VAL 102 N 1.51 3.58 0.42 -0.44 1.01 0.06 -0.91 120.40 125.63 3gtg s VAL 102 Ca 0.34 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 3gtg s VAL 102 Cb -0.17 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 3gtg s VAL 102 CO 0.13 0.20 1.33 0.00 0.00 0.00 0.00 175.10 176.76 3gtg h LEU 104 N 2.52 0.00 0.00 0.00 -0.00 -1.89 -3.08 115.31 112.86 3gtg h LEU 104 Ca -0.50 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 3gtg h LEU 104 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 3gtg h LEU 104 CO 0.62 1.04 0.00 -1.20 -0.00 0.00 0.00 178.44 178.90 3gtg n SER 105 N -4.56 0.00 0.00 -0.43 7.64 -1.26 -3.24 113.62 111.76 3gtg n SER 105 Ca -0.16 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.25 3gtg n SER 105 Cb 0.42 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3gtg n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtg n SER 107 N 0.00 -0.00 -4.88 0.00 7.64 -1.16 -4.98 113.62 110.23 3gtg n SER 107 Ca 0.00 -1.15 -0.37 0.00 1.01 0.00 0.00 58.87 58.36 3gtg n SER 107 Cb 0.02 -2.27 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 3gtg n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gtg s HIS 108 N -4.08 3.61 -0.17 1.43 5.65 -1.26 -4.88 115.29 115.59 3gtg s HIS 108 Ca 0.10 0.55 -0.01 0.00 0.25 0.00 0.00 55.06 55.95 3gtg s HIS 108 Cb -0.06 -1.96 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 3gtg s HIS 108 CO 0.95 0.73 -0.11 0.42 -0.65 0.00 0.00 174.74 176.09 3gtg s ILE 109 N -1.04 3.07 0.27 0.89 1.09 -1.26 -0.93 121.20 123.28 3gtg s ILE 109 Ca 0.16 -0.63 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 3gtg s ILE 109 Cb -0.12 -2.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.92 3gtg s ILE 109 CO 0.05 0.49 0.24 0.72 -0.10 0.00 0.00 174.94 176.34 3gtg s PHE 110 N 0.83 1.34 0.19 3.97 -0.12 -0.09 -5.01 117.98 119.08 3gtg s PHE 110 Ca -0.04 -1.44 0.05 0.00 -0.05 0.00 0.00 56.93 55.45 3gtg s PHE 110 Cb -0.15 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 3gtg s PHE 110 CO 0.01 -0.80 -0.08 0.99 -0.05 0.00 0.00 175.22 175.29 3gtg s THR 111 N -3.76 1.24 -0.07 -4.49 2.01 -1.26 -0.63 115.64 108.68 3gtg s THR 111 Ca 0.38 -2.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.09 3gtg s THR 111 Cb 0.04 -2.06 -0.30 0.00 0.01 0.00 0.00 72.50 70.19 3gtg s THR 111 CO 0.19 -0.57 0.78 0.77 -0.69 0.00 0.00 174.62 175.10 3gtg h SER 112 N 2.63 0.42 -0.66 3.53 4.64 -1.92 -3.48 113.55 118.71 3gtg h SER 112 Ca -0.37 -0.92 -0.58 0.00 -0.47 0.00 0.00 61.79 59.45 3gtg h SER 112 Cb 1.21 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3gtg h SER 112 CO 0.64 1.44 0.42 -0.67 -0.87 0.00 0.00 176.83 177.80 3gtg n ASP 113 N -4.09 0.74 -0.01 4.97 -0.08 -1.26 -4.89 116.55 111.93 3gtg n ASP 113 Ca -0.17 0.79 0.08 0.00 -1.51 0.00 0.00 54.79 53.98 3gtg n ASP 113 Cb 0.83 -0.59 -0.13 0.00 2.34 0.00 0.00 41.12 43.58 3gtg n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gtg n GLN 114 N 2.52 0.66 -2.55 -0.67 6.02 -1.26 -4.91 117.38 117.18 3gtg n GLN 114 Ca 0.20 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.91 3gtg n GLN 114 Cb -0.03 -1.39 0.03 0.00 1.02 0.00 0.00 30.24 29.86 3gtg n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtg n LYS 115 N -2.00 0.84 -1.34 -1.09 4.76 -1.26 -5.07 118.16 113.01 3gtg n LYS 115 Ca -0.02 -2.06 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 3gtg n LYS 115 Cb 0.42 0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 3gtg n LYS 115 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gtg n ASN 116 N -2.29 -7.02 -4.81 4.39 3.02 -1.26 -4.98 115.26 102.31 3gtg n ASN 116 Ca 0.05 0.92 -0.33 0.00 -0.03 0.00 0.00 54.58 55.20 3gtg n ASN 116 Cb 0.39 -3.28 -0.04 0.00 -0.61 0.00 0.00 39.78 36.23 3gtg n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3gtg s LYS 117 N -2.42 3.93 -0.00 3.52 1.02 -1.26 -5.04 119.74 119.49 3gtg s LYS 117 Ca 0.00 1.19 0.02 0.00 0.02 0.00 0.00 55.97 57.20 3gtg s LYS 117 Cb 0.00 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3gtg s LYS 117 CO 0.00 -0.30 -0.06 1.03 -0.92 0.00 0.00 175.35 175.11 3gtg s ARG 118 N -3.44 0.45 -0.04 1.68 1.81 -1.26 -5.03 118.95 113.12 3gtg s ARG 118 Ca 0.64 -0.23 0.06 0.00 -1.72 0.00 0.00 55.73 54.48 3gtg s ARG 118 Cb -0.13 -0.43 0.10 0.00 -0.45 0.00 0.00 34.95 34.05 3gtg s ARG 118 CO 0.21 0.12 0.96 -2.37 -0.68 0.00 0.00 175.30 173.53 3gtg n THR 119 N 2.86 0.86 -0.49 0.02 5.66 -1.26 -5.21 114.28 116.72 3gtg n THR 119 Ca -0.13 -0.99 0.00 0.00 -3.05 0.00 0.00 64.05 59.88 3gtg n THR 119 Cb 0.58 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 3gtg n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02