#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyp s ILE 8 N 0.00 4.62 0.23 6.31 1.01 -1.26 -4.55 121.20 127.56 3gyp s ILE 8 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.60 3gyp s ILE 8 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3gyp s ILE 8 CO 0.00 0.33 0.04 -0.94 0.00 0.00 0.00 174.94 174.37 3gyp s SER 9 N 1.54 1.44 0.21 3.58 1.04 -1.26 -5.05 113.70 115.20 3gyp s SER 9 Ca 0.06 -1.29 -0.09 0.00 0.48 0.00 0.00 55.95 55.11 3gyp s SER 9 Cb -0.15 0.10 0.17 0.00 0.10 0.00 0.00 66.02 66.24 3gyp s SER 9 CO 0.05 -0.63 1.87 -0.33 0.98 0.00 0.00 173.24 175.19 3gyp h GLU 10 N 2.47 1.07 -0.95 4.02 4.39 -1.98 -2.38 114.58 121.21 3gyp h GLU 10 Ca -0.38 -0.09 0.35 0.00 0.34 0.00 0.00 59.36 59.58 3gyp h GLU 10 Cb 1.23 -0.23 -0.17 0.00 -0.10 0.00 0.00 28.75 29.48 3gyp h GLU 10 CO 0.63 0.74 0.34 -2.37 -1.16 0.00 0.00 179.01 177.19 3gyp n THR 11 N -4.49 -0.40 -0.42 1.13 5.66 -1.26 -3.48 114.28 111.02 3gyp n THR 11 Ca 0.08 1.98 0.00 0.00 -3.05 0.00 0.00 64.05 63.06 3gyp n THR 11 Cb 0.04 -3.11 0.00 0.00 -1.55 0.00 0.00 70.33 65.72 3gyp n THR 11 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3gyp n ASN 12 N -5.24 0.35 -4.68 1.09 6.94 -0.92 -4.87 115.26 107.93 3gyp n ASN 12 Ca 0.31 -0.82 -0.38 0.00 -0.02 0.00 0.00 54.58 53.67 3gyp n ASN 12 Cb 1.05 0.11 -0.07 0.00 -2.36 0.00 0.00 39.78 38.51 3gyp n ASN 12 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3gyp s THR 13 N -0.11 5.19 -0.01 5.53 -4.23 -1.10 0.14 115.64 121.06 3gyp s THR 13 Ca 0.00 0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 61.08 3gyp s THR 13 Cb 0.00 -3.75 -0.32 0.00 1.34 0.00 0.00 72.50 69.78 3gyp s THR 13 CO 0.00 0.25 0.97 0.40 -0.54 0.00 0.00 174.62 175.70 3gyp h ILE 14 N 5.00 1.41 -1.87 2.99 2.04 -0.72 -3.48 117.51 122.87 3gyp h ILE 14 Ca -0.36 -2.53 0.01 0.00 1.00 0.00 0.00 64.86 62.98 3gyp h ILE 14 Cb 1.16 3.04 -0.23 0.00 -0.74 0.00 0.00 36.82 40.05 3gyp h ILE 14 CO 0.73 0.74 0.19 0.12 0.00 0.00 0.00 178.15 179.92 3gyp s PHE 15 N -2.63 -0.79 -0.06 1.37 5.36 -0.93 -5.00 117.98 115.31 3gyp s PHE 15 Ca -0.12 1.76 0.01 0.00 -0.96 0.00 0.00 56.93 57.62 3gyp s PHE 15 Cb 0.03 0.40 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3gyp s PHE 15 CO 0.88 -0.38 -0.05 0.21 -1.46 0.00 0.00 175.22 174.42 3gyp s LYS 16 N 0.83 0.93 -0.21 10.12 2.20 -1.26 -0.84 119.74 131.50 3gyp s LYS 16 Ca -0.03 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 3gyp s LYS 16 Cb -0.05 -0.97 0.04 0.00 -1.51 0.00 0.00 37.83 35.34 3gyp s LYS 16 CO -0.08 -0.12 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.46 3gyp s LEU 17 N 1.13 2.67 0.23 5.43 0.20 0.45 -4.99 118.68 123.81 3gyp s LEU 17 Ca -0.08 -0.94 -0.14 0.00 0.69 0.00 0.00 54.13 53.66 3gyp s LEU 17 Cb -0.14 -1.52 -0.08 0.00 -0.43 0.00 0.00 46.19 44.03 3gyp s LEU 17 CO -0.01 -0.08 0.63 -1.61 -0.29 0.00 0.00 176.35 174.99 3gyp s GLU 18 N 1.22 3.98 -1.25 1.98 2.02 -1.26 -0.10 118.70 125.28 3gyp s GLU 18 Ca -0.00 0.54 -0.02 0.00 0.02 0.00 0.00 54.97 55.50 3gyp s GLU 18 Cb -0.16 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3gyp s GLU 18 CO -0.10 0.33 0.28 0.41 0.02 0.00 0.00 175.26 176.20 3gyp n GLY 19 N 0.20 -0.25 3.77 -1.39 0.00 -1.03 -4.93 105.19 101.56 3gyp n GLY 19 Ca -0.01 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3gyp n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gyp s VAL 20 N -2.93 3.10 -0.67 1.61 -7.23 0.30 -4.73 120.40 109.86 3gyp s VAL 20 Ca 0.14 0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 60.92 3gyp s VAL 20 Cb -0.06 -3.38 0.13 0.00 0.56 0.00 0.00 36.38 33.63 3gyp s VAL 20 CO 0.17 -0.05 0.73 -0.44 -0.31 0.00 0.00 175.10 175.20 3gyp s SER 21 N -1.46 6.35 -0.00 4.85 0.01 -0.98 -1.46 113.70 121.01 3gyp s SER 21 Ca 0.66 -1.81 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 3gyp s SER 21 Cb -0.28 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3gyp s SER 21 CO 0.33 -0.96 0.96 -0.69 0.41 0.00 0.00 173.24 173.29 3gyp s VAL 22 N 2.00 4.87 -0.20 3.43 1.01 -0.44 -1.19 120.40 129.88 3gyp s VAL 22 Ca 0.13 2.02 0.10 0.00 0.00 0.00 0.00 61.98 64.23 3gyp s VAL 22 Cb -0.20 -4.30 -0.19 0.00 0.00 0.00 0.00 36.38 31.68 3gyp s VAL 22 CO 0.01 0.17 -0.06 0.18 0.00 0.00 0.00 175.10 175.40 3gyp n LEU 23 N 3.86 1.32 -3.79 3.92 4.32 0.71 -1.60 117.00 125.74 3gyp n LEU 23 Ca 0.05 -0.06 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 3gyp n LEU 23 Cb 0.51 -0.11 -0.14 0.00 -1.62 0.00 0.00 43.42 42.06 3gyp n LEU 23 CO 0.52 0.65 -0.23 -0.55 -1.22 0.00 0.00 177.39 176.55 3gyp s SER 24 N -5.70 -0.11 0.00 -1.43 0.15 -1.12 -3.66 113.70 101.83 3gyp s SER 24 Ca -0.19 0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.85 3gyp s SER 24 Cb 0.07 0.21 0.57 0.00 -1.71 0.00 0.00 66.02 65.15 3gyp s SER 24 CO 0.66 -0.09 1.40 -0.81 1.20 0.00 0.00 173.24 175.59 3gyp n PRO 25 N 3.60 1.40 -3.76 5.44 -0.04 -1.25 -1.62 135.00 138.78 3gyp n PRO 25 Ca -0.19 -0.62 -0.12 0.00 -0.04 0.00 0.00 63.50 62.52 3gyp n PRO 25 Cb 0.55 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 3gyp n PRO 25 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3gyp s LEU 26 N -1.30 0.87 -0.50 1.53 2.34 -1.25 -5.13 118.68 115.24 3gyp s LEU 26 Ca 0.22 -0.08 -0.19 0.00 0.06 0.00 0.00 54.13 54.14 3gyp s LEU 26 Cb 0.11 1.32 0.06 0.00 -0.56 0.00 0.00 46.19 47.11 3gyp s LEU 26 CO 0.17 -0.55 0.61 -0.60 -1.06 0.00 0.00 176.35 174.92 3gyp s ARG 27 N -2.05 3.12 -0.18 1.48 3.00 -1.24 -3.24 118.95 119.85 3gyp s ARG 27 Ca -0.08 -0.89 -0.28 0.00 -1.00 0.00 0.00 55.73 53.48 3gyp s ARG 27 Cb -0.03 -4.09 0.09 0.00 0.00 0.00 0.00 34.95 30.92 3gyp s ARG 27 CO -0.00 -1.19 0.80 0.21 0.00 0.00 0.00 175.30 175.11 3gyp s LYS 28 N 2.58 0.83 -0.21 5.12 2.20 -0.63 -5.01 119.74 124.62 3gyp s LYS 28 Ca 0.15 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 3gyp s LYS 28 Cb -0.19 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3gyp s LYS 28 CO 0.12 -0.19 0.86 0.15 -0.36 0.00 0.00 175.35 175.93 3gyp s LYS 29 N -0.43 4.24 0.12 4.03 1.02 -1.26 -1.32 119.74 126.14 3gyp s LYS 29 Ca -0.04 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.97 3gyp s LYS 29 Cb -0.03 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 3gyp s LYS 29 CO 0.03 -0.45 0.03 -0.51 -0.92 0.00 0.00 175.35 173.53 3gyp s LEU 30 N 2.60 1.94 -0.21 3.17 1.43 -0.54 -4.90 118.68 122.17 3gyp s LEU 30 Ca 0.37 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 3gyp s LEU 30 Cb -0.16 0.23 -0.05 0.00 0.03 0.00 0.00 46.19 46.24 3gyp s LEU 30 CO 0.09 -0.69 0.16 -1.81 0.23 0.00 0.00 176.35 174.34 3gyp s ASP 31 N -3.05 6.21 -0.20 2.29 1.01 -0.11 -0.54 116.67 122.28 3gyp s ASP 31 Ca 0.21 0.22 -0.24 0.00 0.71 0.00 0.00 52.55 53.46 3gyp s ASP 31 Cb 0.07 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 3gyp s ASP 31 CO 0.00 0.12 0.78 -0.22 0.21 0.00 0.00 175.17 176.07 3gyp s LEU 32 N 0.64 4.13 -0.08 1.23 0.20 0.85 -0.34 118.68 125.32 3gyp s LEU 32 Ca 0.09 1.03 0.02 0.00 0.69 0.00 0.00 54.13 55.97 3gyp s LEU 32 Cb -0.12 -3.13 0.01 0.00 -0.43 0.00 0.00 46.19 42.52 3gyp s LEU 32 CO 0.01 -0.41 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.82 3gyp s VAL 33 N 2.35 1.35 -0.22 1.68 1.01 0.03 -0.41 120.40 126.20 3gyp s VAL 33 Ca 0.35 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3gyp s VAL 33 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3gyp s VAL 33 CO 0.10 0.41 0.05 -0.36 0.00 0.00 0.00 175.10 175.29 3gyp s PHE 34 N 0.69 3.11 0.32 5.22 0.40 -0.02 -0.69 117.98 127.02 3gyp s PHE 34 Ca -0.14 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3gyp s PHE 34 Cb -0.16 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 3gyp s PHE 34 CO 0.03 -0.18 0.42 1.52 0.70 0.00 0.00 175.22 177.72 3gyp s TYR 35 N 1.08 1.09 -0.22 0.36 -0.85 -0.14 0.04 117.35 118.71 3gyp s TYR 35 Ca 0.04 -1.29 -0.05 0.00 -0.52 0.00 0.00 57.07 55.24 3gyp s TYR 35 Cb -0.14 -0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 3gyp s TYR 35 CO 0.03 -1.05 0.00 -0.51 -1.52 0.00 0.00 175.55 172.50 3gyp s LEU 36 N -3.23 3.18 0.40 -3.49 1.43 0.12 -0.29 118.68 116.81 3gyp s LEU 36 Ca 0.32 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 52.93 3gyp s LEU 36 Cb 0.00 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 44.27 3gyp s LEU 36 CO 0.20 0.02 0.49 -0.24 0.23 0.00 0.00 176.35 177.05 3gyp n SER 37 N 4.56 -1.12 0.09 2.29 2.88 0.60 -4.78 113.62 118.14 3gyp n SER 37 Ca -0.17 0.92 0.06 0.00 -1.33 0.00 0.00 58.87 58.34 3gyp n SER 37 Cb 0.51 -1.08 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 3gyp n SER 37 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3gyp h ASN 38 N 0.78 0.00 0.37 -3.46 2.35 -1.90 0.13 115.58 113.85 3gyp h ASN 38 Ca -0.39 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 3gyp h ASN 38 Cb 1.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.76 3gyp h ASN 38 CO 0.51 0.28 -0.32 0.58 -1.65 0.00 0.00 177.43 176.84 3gyp h VAL 39 N 0.00 0.34 0.00 2.81 2.07 -1.96 -3.40 116.25 116.11 3gyp h VAL 39 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3gyp h VAL 39 Cb 1.27 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3gyp h VAL 39 CO 0.03 0.00 -0.01 -0.90 0.02 0.00 0.00 177.57 176.70 3gyp n ASP 40 N -5.44 0.30 0.00 0.57 3.85 -1.26 -5.01 116.55 109.57 3gyp n ASP 40 Ca -0.10 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 3gyp n ASP 40 Cb 0.34 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 3gyp n ASP 40 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gyp n GLY 41 N -0.08 0.28 3.73 6.12 0.00 0.44 -4.97 105.19 110.72 3gyp n GLY 41 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gyp n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gyp s SER 42 N -2.05 7.45 0.31 1.61 0.15 -1.26 -4.34 113.70 115.59 3gyp s SER 42 Ca 0.00 1.87 -0.29 0.00 0.70 0.00 0.00 55.95 58.23 3gyp s SER 42 Cb 0.00 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.60 3gyp s SER 42 CO 0.00 -0.09 1.47 -2.65 1.20 0.00 0.00 173.24 173.17 3gyp n PRO 43 N 2.63 2.45 -4.17 5.44 -0.02 -1.26 -0.29 135.00 139.78 3gyp n PRO 43 Ca 0.02 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.21 3gyp n PRO 43 Cb 0.48 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 3gyp n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gyp s VAL 44 N -0.51 0.49 -0.15 -1.45 1.01 0.60 -4.07 120.40 116.32 3gyp s VAL 44 Ca 0.60 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 3gyp s VAL 44 Cb -0.53 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3gyp s VAL 44 CO 0.55 0.03 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 3gyp s ILE 45 N -0.40 3.83 0.09 2.22 1.01 -0.63 -0.96 121.20 126.35 3gyp s ILE 45 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3gyp s ILE 45 Cb -0.04 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3gyp s ILE 45 CO -0.00 0.49 -0.09 0.28 0.00 0.00 0.00 174.94 175.62 3gyp s THR 46 N 0.37 0.83 -0.20 2.92 -1.32 0.13 0.17 115.64 118.55 3gyp s THR 46 Ca -0.05 -1.58 -0.02 0.00 -1.21 0.00 0.00 61.69 58.83 3gyp s THR 46 Cb -0.14 -1.27 -0.00 0.00 -1.51 0.00 0.00 72.50 69.57 3gyp s THR 46 CO 0.03 -0.57 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.01 3gyp s LEU 47 N -2.38 2.67 -0.01 9.08 1.43 -0.24 -0.79 118.68 128.45 3gyp s LEU 47 Ca 0.04 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3gyp s LEU 47 Cb -0.03 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3gyp s LEU 47 CO -0.01 0.01 -0.15 -0.76 0.23 0.00 0.00 176.35 175.68 3gyp s LEU 48 N 1.27 2.74 -0.33 1.79 1.43 0.54 0.01 118.68 126.13 3gyp s LEU 48 Ca 0.03 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3gyp s LEU 48 Cb -0.14 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.55 3gyp s LEU 48 CO -0.05 0.30 0.08 -1.59 0.23 0.00 0.00 176.35 175.32 3gyp s LYS 49 N -1.12 2.44 7.72 1.70 0.00 0.03 -0.93 119.74 129.58 3gyp s LYS 49 Ca 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 55.97 54.78 3gyp s LYS 49 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.37 3gyp s LYS 49 CO 0.04 -0.72 0.00 0.41 0.00 0.00 0.00 175.35 175.08 3gyp n GLY 50 N 4.69 3.25 0.10 0.59 0.00 -1.26 -1.33 105.19 111.24 3gyp n GLY 50 Ca -0.11 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3gyp n GLY 50 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gyp h ASN 51 N 0.00 0.00 -3.96 1.61 -0.73 -2.03 -3.48 115.58 106.99 3gyp h ASN 51 Ca 0.00 -0.09 -0.48 0.00 1.87 0.00 0.00 56.30 57.60 3gyp h ASN 51 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 3gyp h ASN 51 CO 0.00 0.05 0.40 -1.81 -0.37 0.00 0.00 177.43 175.69 3gyp s ASP 52 N -4.73 6.82 -0.20 1.15 -0.00 -0.44 -5.04 116.67 114.24 3gyp s ASP 52 Ca 0.07 1.99 -0.07 0.00 -0.00 0.00 0.00 52.55 54.54 3gyp s ASP 52 Cb 0.11 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.42 3gyp s ASP 52 CO 0.68 -0.44 0.06 -0.13 -0.00 0.00 0.00 175.17 175.34 3gyp s ARG 53 N -2.51 3.87 -0.02 8.23 0.52 -1.26 -0.79 118.95 126.99 3gyp s ARG 53 Ca 0.57 -0.39 0.19 0.00 -0.52 0.00 0.00 55.73 55.59 3gyp s ARG 53 Cb -0.21 -3.23 -0.22 0.00 0.52 0.00 0.00 34.95 31.82 3gyp s ARG 53 CO 0.26 0.14 0.55 0.39 0.02 0.00 0.00 175.30 176.66 3gyp n GLU 54 N 3.92 0.65 -3.64 3.54 -0.58 0.10 -4.96 120.64 119.67 3gyp n GLU 54 Ca -0.16 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.53 3gyp n GLU 54 Cb 0.52 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.68 3gyp n GLU 54 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3gyp s LEU 55 N -5.24 -0.40 0.02 -4.62 0.20 -1.22 -4.99 118.68 102.42 3gyp s LEU 55 Ca -0.06 0.73 0.01 0.00 0.69 0.00 0.00 54.13 55.50 3gyp s LEU 55 Cb 0.10 1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 47.55 3gyp s LEU 55 CO 0.85 -0.12 -0.05 -0.44 -0.29 0.00 0.00 176.35 176.29 3gyp s SER 56 N 0.60 0.60 -0.13 3.68 0.01 -1.26 -1.08 113.70 116.11 3gyp s SER 56 Ca -0.01 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3gyp s SER 56 Cb -0.04 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.21 3gyp s SER 56 CO -0.10 -0.11 -0.12 -0.63 0.41 0.00 0.00 173.24 172.69 3gyp s ILE 57 N -0.84 1.37 0.48 1.44 1.01 0.13 -4.67 121.20 120.13 3gyp s ILE 57 Ca -0.06 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3gyp s ILE 57 Cb -0.06 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3gyp s ILE 57 CO -0.00 0.42 0.23 -0.72 0.00 0.00 0.00 174.94 174.88 3gyp s TYR 58 N 1.50 2.12 -1.10 3.97 1.13 -1.26 -1.60 117.35 122.10 3gyp s TYR 58 Ca 0.04 -0.75 -0.33 0.00 -1.41 0.00 0.00 57.07 54.63 3gyp s TYR 58 Cb -0.13 -1.88 0.05 0.00 -1.10 0.00 0.00 41.96 38.89 3gyp s TYR 58 CO -0.09 -0.05 0.61 1.04 -2.51 0.00 0.00 175.55 174.56 3gyp n GLN 59 N -1.44 -0.27 -0.15 -3.49 3.00 -1.26 -4.57 117.38 109.21 3gyp n GLN 59 Ca -0.05 -0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.99 3gyp n GLN 59 Cb 0.65 -2.11 0.36 0.00 0.00 0.00 0.00 30.24 29.13 3gyp n GLN 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3gyp h LEU 60 N -2.14 0.64 -0.82 1.08 3.38 -1.86 0.98 115.31 116.57 3gyp h LEU 60 Ca -0.65 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.52 3gyp h LEU 60 Cb 1.28 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 3gyp h LEU 60 CO 0.47 0.43 0.11 -0.55 0.09 0.00 0.00 178.44 178.99 3gyp h ASN 61 N 0.74 -0.20 0.00 -0.43 -1.07 -1.81 -2.85 115.58 109.96 3gyp h ASN 61 Ca 0.28 0.20 -0.08 0.00 0.07 0.00 0.00 56.30 56.77 3gyp h ASN 61 Cb 0.16 0.32 -0.01 0.00 -2.07 0.00 0.00 38.32 36.72 3gyp h ASN 61 CO -0.08 -0.17 -1.71 2.29 0.07 0.00 0.00 177.43 177.83 3gyp n LYS 62 N -5.30 0.91 0.04 4.14 2.85 -0.86 -4.76 118.16 115.20 3gyp n LYS 62 Ca 0.17 -0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 3gyp n LYS 62 Cb 0.57 -1.32 -0.01 0.00 -0.65 0.00 0.00 35.03 33.61 3gyp n LYS 62 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gyp n ASN 63 N -2.14 0.58 -4.64 -5.58 3.02 0.28 -4.81 115.26 101.98 3gyp n ASN 63 Ca -0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 3gyp n ASN 63 Cb 0.54 0.88 -0.05 0.00 -0.61 0.00 0.00 39.78 40.54 3gyp n ASN 63 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gyp s ILE 64 N -3.31 4.89 -0.13 2.41 1.01 -1.08 -0.85 121.20 124.15 3gyp s ILE 64 Ca 0.00 1.42 0.18 0.00 0.00 0.00 0.00 60.65 62.26 3gyp s ILE 64 Cb 0.13 -4.06 -0.24 0.00 0.01 0.00 0.00 42.46 38.31 3gyp s ILE 64 CO 0.81 -0.04 0.42 0.29 0.00 0.00 0.00 174.94 176.43 3gyp n LYS 65 N 5.89 0.66 -3.64 2.79 4.01 -0.27 -4.96 118.16 122.63 3gyp n LYS 65 Ca 0.03 0.03 -0.06 0.00 -0.51 0.00 0.00 58.31 57.80 3gyp n LYS 65 Cb 0.48 -1.62 -0.07 0.00 -0.51 0.00 0.00 35.03 33.31 3gyp n LYS 65 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 3gyp s MET 66 N -2.87 0.58 -0.20 1.97 -2.45 -1.21 -4.97 119.30 110.15 3gyp s MET 66 Ca -0.07 0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 55.22 3gyp s MET 66 Cb 0.09 0.16 0.09 0.00 1.25 0.00 0.00 34.83 36.41 3gyp s MET 66 CO 0.84 -0.11 0.44 0.00 1.05 0.00 0.00 175.02 177.25 3gyp s ALA 67 N 1.24 -1.23 -0.10 4.11 0.00 -1.26 -0.90 121.76 123.62 3gyp s ALA 67 Ca -0.07 1.59 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 3gyp s ALA 67 Cb -0.04 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.79 3gyp s ALA 67 CO -0.14 -0.71 0.24 -1.12 0.00 0.00 0.00 175.76 174.03 3gyp s SER 68 N 2.49 -0.26 0.04 0.00 0.01 0.13 0.16 113.70 116.27 3gyp s SER 68 Ca -0.03 0.50 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 3gyp s SER 68 Cb -0.11 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 3gyp s SER 68 CO -0.13 -0.12 1.05 -0.36 0.41 0.00 0.00 173.24 174.09 3gyp s PHE 69 N 0.59 3.60 -0.00 2.43 0.40 -0.21 -1.44 117.98 123.36 3gyp s PHE 69 Ca -0.04 1.58 0.04 0.00 -0.60 0.00 0.00 56.93 57.91 3gyp s PHE 69 Cb -0.05 -3.21 -0.01 0.00 0.51 0.00 0.00 43.02 40.25 3gyp s PHE 69 CO -0.03 -0.40 -0.12 -0.51 0.70 0.00 0.00 175.22 174.86 3gyp s LEU 70 N 0.88 2.05 0.57 -0.37 1.43 -0.78 -4.24 118.68 118.22 3gyp s LEU 70 Ca 0.53 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 3gyp s LEU 70 Cb -0.24 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3gyp s LEU 70 CO 0.29 0.12 1.31 -2.16 0.23 0.00 0.00 176.35 176.14 3gyp s PRO 71 N -0.45 3.01 -0.34 1.29 0.04 -1.26 -0.74 135.00 136.55 3gyp s PRO 71 Ca 0.04 2.10 -0.16 0.00 0.04 0.00 0.00 61.00 63.01 3gyp s PRO 71 Cb -0.05 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3gyp s PRO 71 CO -0.00 -1.25 0.42 0.08 0.04 0.00 0.00 177.00 176.29 3gyp s VAL 72 N -1.38 5.11 0.13 -0.36 1.01 -1.26 -4.72 120.40 118.92 3gyp s VAL 72 Ca 0.75 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 62.57 3gyp s VAL 72 Cb -0.37 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 3gyp s VAL 72 CO 0.43 -0.13 1.62 -2.65 0.00 0.00 0.00 175.10 174.36 3gyp n PRO 73 N 5.53 2.17 -0.38 2.72 -0.02 -1.26 -1.38 135.00 142.38 3gyp n PRO 73 Ca -0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3gyp n PRO 73 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3gyp n PRO 73 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gyp n GLU 74 N 3.87 0.00 -3.90 -0.52 4.71 -1.26 -4.94 120.64 118.60 3gyp n GLU 74 Ca 0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 57.03 3gyp n GLU 74 Cb 0.29 -2.65 -0.12 0.00 -1.01 0.00 0.00 31.44 27.95 3gyp n GLU 74 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3gyp s LYS 75 N -0.14 2.34 0.39 3.49 -0.14 -0.48 -4.89 119.74 120.31 3gyp s LYS 75 Ca 0.00 -3.06 0.28 0.00 -1.36 0.00 0.00 55.97 51.84 3gyp s LYS 75 Cb 0.00 -3.43 1.23 0.00 -1.68 0.00 0.00 37.83 33.96 3gyp s LYS 75 CO 0.00 -1.22 1.84 -1.35 -0.76 0.00 0.00 175.35 173.86 3gyp h PRO 76 N 5.89 0.00 0.00 -1.68 0.11 -1.92 -2.16 132.00 132.24 3gyp h PRO 76 Ca 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3gyp h PRO 76 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gyp h PRO 76 CO 0.72 0.00 -0.04 -2.95 -0.21 0.00 0.00 178.00 175.51 3gyp h ASN 77 N 0.00 0.00 -2.45 -2.05 -0.00 -1.93 -3.46 115.58 105.70 3gyp h ASN 77 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 3gyp h ASN 77 Cb 0.34 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 38.52 3gyp h ASN 77 CO 0.00 0.04 -0.73 -0.76 -0.00 0.00 0.00 177.43 175.98 3gyp s LEU 78 N -6.35 2.60 -0.01 6.14 1.43 -0.81 -1.75 118.68 119.94 3gyp s LEU 78 Ca 0.00 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 3gyp s LEU 78 Cb 0.10 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 3gyp s LEU 78 CO 0.55 -0.09 0.04 -0.51 0.23 0.00 0.00 176.35 176.57 3gyp s ILE 79 N -2.68 0.02 0.17 -0.59 1.10 -0.65 -4.20 121.20 114.38 3gyp s ILE 79 Ca 0.29 -0.20 -0.23 0.00 -0.51 0.00 0.00 60.65 60.00 3gyp s ILE 79 Cb -0.02 -0.13 -0.08 0.00 0.15 0.00 0.00 42.46 42.39 3gyp s ILE 79 CO 0.13 -0.11 0.73 -0.31 -2.11 0.00 0.00 174.94 173.27 3gyp s TYR 80 N -0.33 3.81 -0.21 3.50 4.12 0.08 -0.27 117.35 128.04 3gyp s TYR 80 Ca -0.04 1.51 -0.05 0.00 0.02 0.00 0.00 57.07 58.51 3gyp s TYR 80 Cb -0.02 -2.68 -0.02 0.00 -1.52 0.00 0.00 41.96 37.71 3gyp s TYR 80 CO -0.00 0.46 -0.01 -1.17 0.02 0.00 0.00 175.55 174.85 3gyp s LEU 81 N -1.43 3.09 -0.09 -1.29 0.20 -0.04 -1.87 118.68 117.25 3gyp s LEU 81 Ca 0.37 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.94 3gyp s LEU 81 Cb -0.20 -1.79 -0.00 0.00 -0.43 0.00 0.00 46.19 43.77 3gyp s LEU 81 CO 0.23 0.02 -0.23 0.12 -0.29 0.00 0.00 176.35 176.20 3gyp s PHE 82 N 1.27 2.44 0.01 5.38 2.19 -0.52 -1.87 117.98 126.89 3gyp s PHE 82 Ca 0.04 -0.95 0.01 0.00 0.33 0.00 0.00 56.93 56.35 3gyp s PHE 82 Cb -0.15 -1.63 -0.01 0.00 -1.31 0.00 0.00 43.02 39.92 3gyp s PHE 82 CO -0.00 -0.38 -0.03 -1.64 1.83 0.00 0.00 175.22 175.01 3gyp s MET 83 N 0.29 0.23 0.12 10.12 -1.94 -0.47 -0.69 119.30 126.97 3gyp s MET 83 Ca -0.16 -0.33 0.10 0.00 -1.71 0.00 0.00 55.69 53.59 3gyp s MET 83 Cb -0.17 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.57 3gyp s MET 83 CO 0.08 0.01 -0.25 0.95 -0.01 0.00 0.00 175.02 175.79 3gyp s THR 84 N -0.69 2.09 0.02 2.05 -4.23 -0.08 -0.53 115.64 114.27 3gyp s THR 84 Ca -0.06 -1.69 -0.21 0.00 -1.18 0.00 0.00 61.69 58.55 3gyp s THR 84 Cb -0.05 -1.86 0.04 0.00 1.34 0.00 0.00 72.50 71.97 3gyp s THR 84 CO -0.00 0.05 0.46 -0.72 -0.54 0.00 0.00 174.62 173.87 3gyp s TYR 85 N -1.09 -0.35 0.24 3.99 -0.85 -0.39 -1.11 117.35 117.79 3gyp s TYR 85 Ca 0.12 0.44 -0.30 0.00 -0.52 0.00 0.00 57.07 56.81 3gyp s TYR 85 Cb -0.10 0.26 -0.09 0.00 0.38 0.00 0.00 41.96 42.41 3gyp s TYR 85 CO 0.05 -0.56 0.97 0.99 -1.52 0.00 0.00 175.55 175.48 3gyp s THR 86 N -2.03 4.01 0.94 -3.49 2.01 -0.03 -1.32 115.64 115.74 3gyp s THR 86 Ca -0.08 1.99 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 3gyp s THR 86 Cb -0.02 -4.27 0.16 0.00 0.01 0.00 0.00 72.50 68.38 3gyp s THR 86 CO 0.01 0.46 1.10 -0.94 -0.69 0.00 0.00 174.62 174.56 3gyp s SER 87 N -1.04 2.91 0.54 3.53 1.04 0.34 -4.81 113.70 116.21 3gyp s SER 87 Ca 0.42 1.76 0.28 0.00 0.48 0.00 0.00 55.95 58.88 3gyp s SER 87 Cb -0.27 -2.37 1.44 0.00 0.10 0.00 0.00 66.02 64.92 3gyp s SER 87 CO 0.33 -3.04 1.96 0.00 0.98 0.00 0.00 173.24 173.47 3gyp n GLU 89 N -4.26 4.00 -4.01 0.00 0.00 -1.26 -4.94 120.64 110.17 3gyp n GLU 89 Ca 0.12 -2.96 -0.31 0.00 0.00 0.00 0.00 57.16 54.01 3gyp n GLU 89 Cb 0.72 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 30.14 3gyp n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gyp n ASP 90 N 0.42 -3.35 0.00 -1.84 9.92 -0.50 -4.84 116.55 116.37 3gyp n ASP 90 Ca 0.25 -0.89 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 3gyp n ASP 90 Cb 1.01 -3.40 0.00 0.00 -0.64 0.00 0.00 41.12 38.09 3gyp n ASP 90 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3gyp n ASN 91 N -2.81 0.26 -3.75 -2.24 0.23 -1.26 -4.99 115.26 100.69 3gyp n ASN 91 Ca -0.03 -1.10 -0.12 0.00 -0.53 0.00 0.00 54.58 52.80 3gyp n ASN 91 Cb 0.55 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.13 3gyp n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3gyp s LYS 92 N -0.10 0.25 -0.01 -3.83 2.20 -1.26 -5.01 119.74 111.97 3gyp s LYS 92 Ca 0.00 0.45 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 3gyp s LYS 92 Cb 0.00 -0.00 -0.00 0.00 -1.51 0.00 0.00 37.83 36.32 3gyp s LYS 92 CO 0.00 -0.10 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.78 3gyp s PHE 93 N 0.75 0.42 -1.47 4.03 0.08 -1.26 -0.50 117.98 120.03 3gyp s PHE 93 Ca -0.05 -0.08 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 3gyp s PHE 93 Cb -0.06 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.10 3gyp s PHE 93 CO -0.05 -0.02 0.60 0.43 -0.10 0.00 0.00 175.22 176.09 3gyp n SER 94 N 3.07 -5.92 -4.69 1.36 7.64 -1.12 -4.95 113.62 109.01 3gyp n SER 94 Ca -0.14 -0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 3gyp n SER 94 Cb 0.58 -4.73 -0.03 0.00 -1.01 0.00 0.00 64.21 59.02 3gyp n SER 94 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3gyp s GLU 95 N -5.66 4.34 -0.07 1.43 2.02 -0.43 -4.63 118.70 115.70 3gyp s GLU 95 Ca 0.30 1.67 -0.22 0.00 0.02 0.00 0.00 54.97 56.74 3gyp s GLU 95 Cb -0.13 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 3gyp s GLU 95 CO 0.37 -0.47 0.63 -1.25 0.02 0.00 0.00 175.26 174.57 3gyp s PRO 96 N 2.31 4.40 -0.10 0.39 0.05 -1.26 -1.26 135.00 139.53 3gyp s PRO 96 Ca 0.56 0.76 0.03 0.00 0.05 0.00 0.00 61.00 62.39 3gyp s PRO 96 Cb -0.24 -3.43 -0.01 0.00 0.05 0.00 0.00 34.50 30.87 3gyp s PRO 96 CO 0.21 0.14 -0.19 0.08 0.05 0.00 0.00 177.00 177.29 3gyp s VAL 97 N 0.58 2.50 -0.06 -0.36 1.01 0.31 -3.86 120.40 120.53 3gyp s VAL 97 Ca 0.34 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3gyp s VAL 97 Cb -0.17 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3gyp s VAL 97 CO 0.16 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 175.01 3gyp s VAL 98 N 0.18 1.07 0.08 2.92 1.01 -0.64 -1.37 120.40 123.64 3gyp s VAL 98 Ca -0.11 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3gyp s VAL 98 Cb -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3gyp s VAL 98 CO 0.06 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.40 3gyp s MET 99 N 0.66 0.76 -0.01 2.72 0.23 -0.78 -0.21 119.30 122.68 3gyp s MET 99 Ca -0.14 -1.02 -0.01 0.00 -1.03 0.00 0.00 55.69 53.49 3gyp s MET 99 Cb -0.15 -0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 32.57 3gyp s MET 99 CO 0.03 0.10 0.11 0.95 -2.03 0.00 0.00 175.02 174.18 3gyp s THR 100 N -1.94 4.93 -0.14 3.16 -4.23 -0.33 -0.86 115.64 116.23 3gyp s THR 100 Ca 0.00 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 3gyp s THR 100 Cb -0.06 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 3gyp s THR 100 CO 0.01 0.35 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.61 3gyp s LEU 101 N -1.78 3.10 -0.19 4.79 1.43 0.62 -2.31 118.68 124.35 3gyp s LEU 101 Ca 0.24 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 3gyp s LEU 101 Cb -0.12 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3gyp s LEU 101 CO 0.15 0.18 1.17 0.21 0.23 0.00 0.00 176.35 178.30 3gyp s ASN 102 N 0.28 7.01 0.11 2.29 3.84 -1.26 -1.64 114.94 125.57 3gyp s ASN 102 Ca -0.05 1.58 -0.14 0.00 0.21 0.00 0.00 52.86 54.45 3gyp s ASN 102 Cb -0.14 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 37.96 3gyp s ASN 102 CO 0.04 -0.72 1.49 0.11 -2.79 0.00 0.00 177.10 175.23 3gyp h LYS 103 N 7.89 0.72 -0.40 0.43 1.57 -1.70 -0.65 116.57 124.43 3gyp h LYS 103 Ca -0.24 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.28 3gyp h LYS 103 Cb 1.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 3gyp h LYS 103 CO 0.97 0.92 0.14 0.93 -0.57 0.00 0.00 179.45 181.84 3gyp h GLU 104 N 0.51 0.29 -0.51 3.15 4.39 -1.94 -0.02 114.58 120.45 3gyp h GLU 104 Ca 0.08 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3gyp h GLU 104 Cb 0.70 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3gyp h GLU 104 CO 0.05 0.19 0.02 -0.97 -1.16 0.00 0.00 179.01 177.14 3gyp h ASN 105 N 0.30 0.86 -0.09 1.42 -0.73 -1.94 -1.95 115.58 113.45 3gyp h ASN 105 Ca 0.19 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 58.06 3gyp h ASN 105 Cb 0.17 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 3gyp h ASN 105 CO -0.19 0.95 0.04 0.74 -0.37 0.00 0.00 177.43 178.60 3gyp h THR 106 N 0.75 1.00 -0.47 -3.57 2.02 -0.75 0.18 112.91 112.07 3gyp h THR 106 Ca 0.15 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.38 3gyp h THR 106 Cb 0.49 0.90 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 3gyp h THR 106 CO 0.02 0.02 -0.36 0.25 0.37 0.00 0.00 175.52 175.82 3gyp h LEU 107 N 0.09 -1.21 -1.09 2.58 7.12 -1.04 -0.72 115.31 121.04 3gyp h LEU 107 Ca 0.03 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.24 3gyp h LEU 107 Cb 0.00 0.57 -0.04 0.00 -0.53 0.00 0.00 40.66 40.67 3gyp h LEU 107 CO -0.02 -0.33 0.40 -1.13 -0.13 0.00 0.00 178.44 177.23 3gyp h ASN 108 N -0.24 0.92 -0.43 1.25 -0.73 -0.80 -1.20 115.58 114.35 3gyp h ASN 108 Ca 0.18 -0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.16 3gyp h ASN 108 Cb 0.55 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 3gyp h ASN 108 CO -0.60 0.75 -0.18 1.56 -0.37 0.00 0.00 177.43 178.59 3gyp h GLN 109 N 1.04 0.89 -0.52 6.67 4.20 -0.39 -2.50 115.11 124.50 3gyp h GLN 109 Ca 0.26 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3gyp h GLN 109 Cb 0.04 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3gyp h GLN 109 CO -0.04 1.02 0.23 0.74 -0.67 0.00 0.00 178.83 180.12 3gyp h PHE 110 N 0.72 0.72 -0.18 2.96 -1.00 -0.72 -1.29 116.94 118.15 3gyp h PHE 110 Ca 0.10 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.74 3gyp h PHE 110 Cb 0.74 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 3gyp h PHE 110 CO 0.05 0.54 -0.41 0.87 -1.61 0.00 0.00 178.31 177.76 3gyp h LYS 111 N 0.73 0.40 -0.14 1.51 1.57 -1.15 -0.08 116.57 119.41 3gyp h LYS 111 Ca 0.18 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3gyp h LYS 111 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gyp h LYS 111 CO -0.02 0.75 -0.64 -0.91 -0.57 0.00 0.00 179.45 178.06 3gyp h ASN 112 N 0.34 0.61 -0.04 0.86 -0.26 -0.90 -2.95 115.58 113.24 3gyp h ASN 112 Ca 0.03 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 3gyp h ASN 112 Cb 0.87 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3gyp h ASN 112 CO 0.07 1.10 0.00 0.18 -1.06 0.00 0.00 177.43 177.72 3gyp n LEU 113 N -3.91 0.34 -0.51 1.61 7.99 -0.56 -4.89 117.00 117.06 3gyp n LEU 113 Ca -0.04 -0.14 -0.07 0.00 -0.01 0.00 0.00 56.01 55.75 3gyp n LEU 113 Cb 0.66 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.92 3gyp n LEU 113 CO 0.48 0.07 -0.06 0.61 -1.51 0.00 0.00 177.39 176.98 3gyp n GLY 114 N 0.84 0.85 0.00 -0.72 0.00 -1.11 -4.88 105.19 100.18 3gyp n GLY 114 Ca 0.14 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3gyp n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyp n LEU 115 N -0.76 0.02 -3.64 0.99 4.32 -0.06 -4.82 117.00 113.05 3gyp n LEU 115 Ca -0.07 0.39 -0.09 0.00 -0.02 0.00 0.00 56.01 56.23 3gyp n LEU 115 Cb 0.30 -0.40 -0.07 0.00 -1.62 0.00 0.00 43.42 41.63 3gyp n LEU 115 CO 0.10 0.01 0.34 -0.76 -1.22 0.00 0.00 177.39 175.85 3gyp s LEU 116 N -2.82 -0.83 0.53 2.23 1.02 -1.16 -4.97 118.68 112.69 3gyp s LEU 116 Ca 0.20 1.45 -0.21 0.00 0.02 0.00 0.00 54.13 55.58 3gyp s LEU 116 Cb 0.19 2.31 -0.05 0.00 0.02 0.00 0.00 46.19 48.66 3gyp s LEU 116 CO 0.51 -0.24 1.28 1.51 0.02 0.00 0.00 176.35 179.43 3gyp s ASP 117 N 1.38 5.48 0.46 2.29 1.47 -1.26 -4.27 116.67 122.22 3gyp s ASP 117 Ca -0.08 2.57 0.30 0.00 1.18 0.00 0.00 52.55 56.52 3gyp s ASP 117 Cb -0.05 -2.62 1.39 0.00 -0.34 0.00 0.00 42.92 41.30 3gyp s ASP 117 CO -0.15 -1.41 1.70 -1.28 0.68 0.00 0.00 175.17 174.71 3gyp h SER 118 N 1.50 0.22 -0.74 2.11 0.87 -1.99 -2.13 113.55 113.40 3gyp h SER 118 Ca -0.50 0.08 -0.33 0.00 -1.23 0.00 0.00 61.79 59.81 3gyp h SER 118 Cb 1.29 0.05 -0.20 0.00 -0.44 0.00 0.00 62.40 63.10 3gyp h SER 118 CO 0.58 -0.05 0.34 -0.46 -0.53 0.00 0.00 176.83 176.71 3gyp n ASN 119 N -4.48 3.77 -4.68 6.23 6.94 -1.26 -4.97 115.26 116.81 3gyp n ASN 119 Ca 0.32 -3.51 -0.42 0.00 -0.02 0.00 0.00 54.58 50.95 3gyp n ASN 119 Cb 1.30 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 3gyp n ASN 119 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3gyp s VAL 120 N -3.18 4.26 -0.11 3.53 1.01 -0.80 -4.93 120.40 120.18 3gyp s VAL 120 Ca 0.53 1.58 0.16 0.00 0.00 0.00 0.00 61.98 64.25 3gyp s VAL 120 Cb 0.44 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 32.60 3gyp s VAL 120 CO 0.09 -0.02 0.56 1.07 0.00 0.00 0.00 175.10 176.80 3gyp n THR 121 N 4.70 1.25 -3.23 3.92 5.66 -1.26 -4.94 114.28 120.38 3gyp n THR 121 Ca 0.11 -0.75 -0.43 0.00 -3.05 0.00 0.00 64.05 59.93 3gyp n THR 121 Cb 0.46 -0.68 -0.07 0.00 -1.55 0.00 0.00 70.33 68.48 3gyp n THR 121 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3gyp s ASP 122 N -5.68 6.23 0.61 1.09 2.15 -1.26 -4.94 116.67 114.87 3gyp s ASP 122 Ca -0.06 -0.75 0.34 0.00 0.43 0.00 0.00 52.55 52.52 3gyp s ASP 122 Cb 0.08 -2.26 1.98 0.00 -0.30 0.00 0.00 42.92 42.42 3gyp s ASP 122 CO 0.83 -0.73 2.28 0.15 -0.17 0.00 0.00 175.17 177.53 3gyp h PHE 123 N 8.85 0.00 0.00 -5.34 3.04 -1.92 -1.91 116.94 119.67 3gyp h PHE 123 Ca -0.27 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 3gyp h PHE 123 Cb 1.10 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 3gyp h PHE 123 CO 0.69 0.01 -0.03 1.49 -2.02 0.00 0.00 178.31 178.44 3gyp h GLU 124 N 0.00 0.00 -0.97 1.11 4.57 -2.00 0.75 114.58 118.05 3gyp h GLU 124 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3gyp h GLU 124 Cb 0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 3gyp h GLU 124 CO 0.00 0.03 0.63 0.87 -1.18 0.00 0.00 179.01 179.36 3gyp h LYS 125 N 0.00 1.07 -0.56 1.92 6.56 -1.77 -0.75 116.57 123.05 3gyp h LYS 125 Ca -0.00 -0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.42 3gyp h LYS 125 Cb 0.20 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 3gyp h LYS 125 CO 0.00 0.71 -0.06 0.00 -2.06 0.00 0.00 179.45 178.04 3gyp h VAL 127 N 0.92 1.26 -0.54 0.00 2.07 -1.27 -0.27 116.25 118.41 3gyp h VAL 127 Ca 0.15 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3gyp h VAL 127 Cb 0.62 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3gyp h VAL 127 CO 0.04 0.37 0.28 -0.08 0.02 0.00 0.00 177.57 178.20 3gyp h GLU 128 N 0.97 0.77 -0.19 1.57 4.81 -1.04 -0.83 114.58 120.64 3gyp h GLU 128 Ca 0.20 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3gyp h GLU 128 Cb 0.41 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3gyp h GLU 128 CO 0.01 0.61 0.03 -0.92 -0.73 0.00 0.00 179.01 178.01 3gyp h TYR 129 N 0.73 0.33 -0.31 0.92 3.20 -1.16 -0.88 116.97 119.79 3gyp h TYR 129 Ca 0.19 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3gyp h TYR 129 Cb 0.08 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3gyp h TYR 129 CO -0.01 0.47 0.02 0.82 -1.64 0.00 0.00 178.16 177.82 3gyp h ILE 130 N 0.10 1.25 -0.74 1.81 2.04 -0.94 0.19 117.51 121.22 3gyp h ILE 130 Ca 0.06 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.08 3gyp h ILE 130 Cb 0.31 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3gyp h ILE 130 CO 0.00 0.29 0.44 0.03 0.00 0.00 0.00 178.15 178.92 3gyp h ARG 131 N 0.35 0.79 -0.59 2.37 3.08 -1.19 -0.36 114.38 118.83 3gyp h ARG 131 Ca 0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3gyp h ARG 131 Cb 0.40 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3gyp h ARG 131 CO 0.01 0.52 0.34 0.87 -1.07 0.00 0.00 179.97 180.65 3gyp h LYS 132 N 0.81 0.81 -0.36 0.04 1.79 -0.70 -1.03 116.57 117.92 3gyp h LYS 132 Ca 0.33 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 3gyp h LYS 132 Cb 0.17 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3gyp h LYS 132 CO -0.17 0.59 0.14 1.96 -1.08 0.00 0.00 179.45 180.89 3gyp h GLN 133 N 0.79 0.51 -0.09 3.15 1.08 -0.06 -0.94 115.11 119.55 3gyp h GLN 133 Ca 0.21 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3gyp h GLN 133 Cb 0.00 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3gyp h GLN 133 CO -0.04 0.43 0.01 0.00 -0.95 0.00 0.00 178.83 178.27 3gyp h ALA 134 N 1.65 0.12 -0.45 3.87 0.00 -0.65 -2.51 119.26 121.29 3gyp h ALA 134 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3gyp h ALA 134 Cb 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3gyp h ALA 134 CO -0.01 -0.21 -0.09 0.82 0.00 0.00 0.00 179.25 179.76 3gyp h ILE 135 N -0.10 0.57 0.00 0.00 1.08 -0.63 -0.12 117.51 118.30 3gyp h ILE 135 Ca 0.03 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.44 3gyp h ILE 135 Cb 0.32 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3gyp h ILE 135 CO 0.00 0.00 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.15 3gyp h LEU 136 N 0.02 0.00 -1.68 1.44 3.38 -1.21 -2.92 115.31 114.34 3gyp h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3gyp h LEU 136 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gyp h LEU 136 CO -0.45 0.24 0.00 1.07 0.09 0.00 0.00 178.44 179.40 3gyp n THR 137 N -3.88 0.02 0.00 0.22 5.66 -0.59 -4.95 114.28 110.75 3gyp n THR 137 Ca -0.02 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 3gyp n THR 137 Cb 0.33 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 3gyp n THR 137 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gyp n GLY 138 N 1.31 0.88 3.39 1.09 0.00 -0.43 -4.59 105.19 106.84 3gyp n GLY 138 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gyp n GLY 138 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gyp s PHE 139 N -2.00 1.76 -0.04 1.61 -0.71 -0.19 -3.53 117.98 114.88 3gyp s PHE 139 Ca 0.00 -1.50 0.05 0.00 -1.04 0.00 0.00 56.93 54.43 3gyp s PHE 139 Cb 0.00 -0.91 -0.01 0.00 -1.21 0.00 0.00 43.02 40.90 3gyp s PHE 139 CO 0.00 -0.62 -0.18 -1.59 -1.34 0.00 0.00 175.22 171.49 3gyp s LYS 140 N -3.57 1.75 -0.26 1.99 0.00 -1.26 -2.09 119.74 116.30 3gyp s LYS 140 Ca 0.33 -0.64 -0.08 0.00 0.00 0.00 0.00 55.97 55.58 3gyp s LYS 140 Cb 0.02 -1.56 -0.03 0.00 0.00 0.00 0.00 37.83 36.27 3gyp s LYS 140 CO 0.22 0.29 0.09 0.42 0.00 0.00 0.00 175.35 176.37 3gyp s ILE 141 N -0.10 4.42 0.67 3.79 1.01 -1.26 -4.38 121.20 125.35 3gyp s ILE 141 Ca -0.01 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 3gyp s ILE 141 Cb -0.10 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.27 3gyp s ILE 141 CO 0.01 0.29 1.09 -0.44 0.00 0.00 0.00 174.94 175.89 3gyp s SER 142 N 1.62 5.19 -0.38 3.58 0.01 0.12 -4.89 113.70 118.95 3gyp s SER 142 Ca 0.06 1.86 0.12 0.00 1.31 0.00 0.00 55.95 59.31 3gyp s SER 142 Cb -0.15 -2.53 0.38 0.00 0.21 0.00 0.00 66.02 63.92 3gyp s SER 142 CO 0.05 -1.57 0.83 -3.20 0.41 0.00 0.00 173.24 169.75 3gyp n ASN 143 N -2.65 1.56 0.26 2.44 5.15 -1.26 -1.04 115.26 119.72 3gyp n ASN 143 Ca 0.09 -3.04 0.17 0.00 -0.60 0.00 0.00 54.58 51.20 3gyp n ASN 143 Cb 0.53 -0.58 0.91 0.00 -0.53 0.00 0.00 39.78 40.10 3gyp n ASN 143 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gyp h PRO 144 N 2.98 0.00 0.00 1.20 0.13 -1.96 -1.02 132.00 133.33 3gyp h PRO 144 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3gyp h PRO 144 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3gyp h PRO 144 CO 0.55 0.00 -1.24 1.19 -0.23 0.00 0.00 178.00 178.27 3gyp n PHE 145 N -2.68 0.60 -3.19 1.56 3.01 -1.26 -4.60 117.46 110.90 3gyp n PHE 145 Ca -0.02 0.17 -0.21 0.00 1.01 0.00 0.00 57.45 58.40 3gyp n PHE 145 Cb 0.06 -0.75 -0.05 0.00 -0.01 0.00 0.00 39.48 38.74 3gyp n PHE 145 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3gyp n VAL 146 N -2.43 -0.16 0.00 -4.37 0.24 -0.39 -5.06 118.33 106.15 3gyp n VAL 146 Ca -0.01 -4.43 0.00 0.00 -2.04 0.00 0.00 64.34 57.87 3gyp n VAL 146 Cb 0.53 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3gyp n VAL 146 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3gyp n ASN 159 N 0.71 0.00 -4.81 -1.34 5.15 -1.26 -5.04 115.26 108.67 3gyp n ASN 159 Ca 0.24 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.90 3gyp n ASN 159 Cb 0.59 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.88 3gyp n ASN 159 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gyp s SER 160 N 0.00 5.47 0.22 1.20 0.01 -1.26 -5.04 113.70 114.31 3gyp s SER 160 Ca 0.00 1.71 -0.21 0.00 1.31 0.00 0.00 55.95 58.76 3gyp s SER 160 Cb 0.00 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.76 3gyp s SER 160 CO 0.00 -1.38 0.64 0.72 0.41 0.00 0.00 173.24 173.63 3gyp s PHE 161 N -2.81 -0.29 0.03 2.43 -0.12 -1.04 -5.00 117.98 111.18 3gyp s PHE 161 Ca 0.60 -0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 57.35 3gyp s PHE 161 Cb -0.15 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3gyp s PHE 161 CO 0.48 -1.05 0.13 -3.38 -0.05 0.00 0.00 175.22 171.35 3gyp s HIS 162 N -3.86 0.13 0.03 3.49 -3.43 -1.26 0.72 115.29 111.12 3gyp s HIS 162 Ca 0.08 -0.38 -0.17 0.00 -0.80 0.00 0.00 55.06 53.79 3gyp s HIS 162 Cb -0.03 -0.10 0.03 0.00 -1.43 0.00 0.00 32.58 31.05 3gyp s HIS 162 CO -0.01 -0.36 0.38 -0.48 -2.00 0.00 0.00 174.74 172.27 3gyp s LEU 163 N -1.96 0.54 0.15 5.38 0.05 -0.36 -4.97 118.68 117.49 3gyp s LEU 163 Ca -0.07 -0.01 -0.24 0.00 0.05 0.00 0.00 54.13 53.87 3gyp s LEU 163 Cb -0.02 1.62 -0.08 0.00 -2.05 0.00 0.00 46.19 45.65 3gyp s LEU 163 CO -0.03 -0.62 0.72 -1.10 -0.55 0.00 0.00 176.35 174.77 3gyp s GLN 164 N -2.30 4.46 0.36 1.48 -1.52 -1.26 -0.53 119.66 120.35 3gyp s GLN 164 Ca -0.06 1.04 -0.07 0.00 -1.95 0.00 0.00 55.36 54.31 3gyp s GLN 164 Cb -0.01 -3.23 0.02 0.00 -0.22 0.00 0.00 33.01 29.57 3gyp s GLN 164 CO -0.01 0.58 0.59 0.00 -0.25 0.00 0.00 175.29 176.19 3gyp s HIS 166 N -2.81 3.02 -0.36 0.00 3.76 -0.08 -0.95 115.29 117.88 3gyp s HIS 166 Ca 0.25 0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3gyp s HIS 166 Cb -0.02 -1.57 0.09 0.00 1.11 0.00 0.00 32.58 32.19 3gyp s HIS 166 CO 0.17 0.48 0.09 0.50 -0.85 0.00 0.00 174.74 175.13 3gyp s ARG 167 N -2.14 1.94 7.85 1.40 6.06 0.15 -1.04 118.95 133.16 3gyp s ARG 167 Ca 0.25 -1.70 0.00 0.00 -2.50 0.00 0.00 55.73 51.78 3gyp s ARG 167 Cb -0.12 -3.34 0.00 0.00 0.06 0.00 0.00 34.95 31.55 3gyp s ARG 167 CO 0.17 -0.91 0.00 0.41 -2.50 0.00 0.00 175.30 172.47 3gyp n GLY 168 N 4.48 3.54 0.09 8.12 0.00 -1.26 -2.77 105.19 117.38 3gyp n GLY 168 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3gyp n GLY 168 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gyp h THR 169 N 0.00 0.00 -3.36 2.61 1.35 -2.01 -3.46 112.91 108.03 3gyp h THR 169 Ca 0.00 -0.55 -0.60 0.00 -0.55 0.00 0.00 66.41 64.71 3gyp h THR 169 Cb 0.00 1.26 -0.12 0.00 -1.73 0.00 0.00 68.15 67.56 3gyp h THR 169 CO 0.00 0.00 -0.38 -0.54 -0.25 0.00 0.00 175.52 174.35 3gyp s LYS 170 N -3.17 4.20 0.42 4.72 -0.14 -1.12 -5.05 119.74 119.60 3gyp s LYS 170 Ca 0.07 -0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.42 3gyp s LYS 170 Cb 0.12 -3.46 -0.10 0.00 -1.68 0.00 0.00 37.83 32.71 3gyp s LYS 170 CO 0.69 0.18 0.98 -2.00 -0.76 0.00 0.00 175.35 174.44 3gyp s GLU 171 N 0.66 4.20 0.31 1.68 2.12 -1.26 -0.67 118.70 125.75 3gyp s GLU 171 Ca 0.13 1.25 -0.08 0.00 0.36 0.00 0.00 54.97 56.63 3gyp s GLU 171 Cb -0.13 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.98 3gyp s GLU 171 CO 0.03 -0.06 0.55 0.41 -0.54 0.00 0.00 175.26 175.65 3gyp n GLY 172 N -0.23 1.62 3.19 -1.50 0.00 -0.12 -4.89 105.19 103.24 3gyp n GLY 172 Ca 0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3gyp n GLY 172 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gyp s THR 173 N -2.46 1.71 -0.26 2.61 -1.32 0.49 -2.20 115.64 114.21 3gyp s THR 173 Ca 0.18 -0.87 -0.10 0.00 -1.21 0.00 0.00 61.69 59.69 3gyp s THR 173 Cb -0.03 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 3gyp s THR 173 CO 0.13 0.48 0.15 -0.22 -2.21 0.00 0.00 174.62 172.95 3gyp s LEU 174 N -0.01 3.88 -0.24 9.08 2.96 0.31 -1.23 118.68 133.43 3gyp s LEU 174 Ca -0.05 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3gyp s LEU 174 Cb -0.13 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3gyp s LEU 174 CO 0.03 -0.01 0.08 -0.31 -1.32 0.00 0.00 176.35 174.82 3gyp s TYR 175 N 1.51 3.13 -0.65 5.38 1.51 0.70 -1.22 117.35 127.70 3gyp s TYR 175 Ca 0.07 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 3gyp s TYR 175 Cb -0.15 -2.22 0.17 0.00 -0.11 0.00 0.00 41.96 39.64 3gyp s TYR 175 CO 0.07 -0.24 0.57 -0.06 -1.11 0.00 0.00 175.55 174.78 3gyp s PHE 176 N 1.40 3.52 0.38 2.71 0.08 0.22 -2.17 117.98 124.12 3gyp s PHE 176 Ca 0.06 -1.90 0.04 0.00 0.12 0.00 0.00 56.93 55.24 3gyp s PHE 176 Cb -0.15 -3.66 -0.01 0.00 -0.57 0.00 0.00 43.02 38.64 3gyp s PHE 176 CO 0.04 -0.98 0.54 -0.51 -0.10 0.00 0.00 175.22 174.22 3gyp s LEU 177 N 0.73 3.86 0.30 -0.37 1.43 -0.48 -2.49 118.68 121.64 3gyp s LEU 177 Ca 0.12 -0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3gyp s LEU 177 Cb -0.20 -2.91 0.74 0.00 0.03 0.00 0.00 46.19 43.85 3gyp s LEU 177 CO -0.03 -0.53 1.74 -0.65 0.23 0.00 0.00 176.35 177.10 3gyp h PRO 178 N 0.71 0.56 0.00 1.29 0.11 -1.96 -3.24 132.00 129.46 3gyp h PRO 178 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gyp h PRO 178 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gyp h PRO 178 CO 0.55 0.37 0.00 -0.25 -0.21 0.00 0.00 178.00 178.46 3gyp n ASP 179 N -4.90 0.65 -3.91 -2.05 9.92 -1.26 -4.96 116.55 110.03 3gyp n ASP 179 Ca 0.23 -0.90 -0.10 0.00 -0.53 0.00 0.00 54.79 53.49 3gyp n ASP 179 Cb 0.62 0.13 -0.10 0.00 -0.64 0.00 0.00 41.12 41.13 3gyp n ASP 179 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3gyp s HIS 180 N -0.13 0.15 -0.12 1.24 3.76 -1.23 -1.52 115.29 117.44 3gyp s HIS 180 Ca 0.00 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 3gyp s HIS 180 Cb 0.00 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 3gyp s HIS 180 CO 0.00 -0.32 -0.07 0.42 -0.85 0.00 0.00 174.74 173.92 3gyp s ILE 181 N -2.03 3.61 -0.10 0.60 1.01 0.56 -1.39 121.20 123.46 3gyp s ILE 181 Ca -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3gyp s ILE 181 Cb -0.04 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3gyp s ILE 181 CO -0.02 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.66 3gyp s ILE 182 N -0.00 2.78 -0.35 2.92 1.01 -0.92 -0.25 121.20 126.38 3gyp s ILE 182 Ca -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3gyp s ILE 182 Cb -0.14 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3gyp s ILE 182 CO 0.03 0.55 0.16 0.12 0.00 0.00 0.00 174.94 175.80 3gyp s PHE 183 N 0.07 3.24 0.29 3.97 5.36 -0.15 -0.22 117.98 130.55 3gyp s PHE 183 Ca -0.07 -1.15 0.04 0.00 -0.96 0.00 0.00 56.93 54.79 3gyp s PHE 183 Cb -0.15 -2.36 -0.06 0.00 -0.34 0.00 0.00 43.02 40.11 3gyp s PHE 183 CO 0.05 -0.67 0.02 0.20 -1.46 0.00 0.00 175.22 173.36 3gyp s GLY 184 N 1.49 1.90 -0.01 13.12 0.00 -0.37 -1.40 107.32 122.05 3gyp s GLY 184 Ca 0.01 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 42.78 3gyp s GLY 184 CO 0.05 -1.78 0.75 0.69 0.00 0.00 0.00 173.10 172.80 3gyp n PHE 185 N -0.60 0.00 -2.28 1.90 3.72 -1.26 -0.38 117.46 118.55 3gyp n PHE 185 Ca -0.03 -0.14 -0.36 0.00 -0.05 0.00 0.00 57.45 56.87 3gyp n PHE 185 Cb 0.65 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.16 3gyp n PHE 185 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gyp s LYS 186 N -0.35 3.57 0.14 -1.08 1.02 -1.26 -4.76 119.74 117.03 3gyp s LYS 186 Ca 0.02 1.66 -0.31 0.00 0.02 0.00 0.00 55.97 57.36 3gyp s LYS 186 Cb 0.02 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3gyp s LYS 186 CO 0.00 -0.68 1.48 -1.59 -0.92 0.00 0.00 175.35 173.64 3gyp s LYS 187 N -3.02 4.26 0.07 1.68 0.00 -1.26 -3.23 119.74 118.24 3gyp s LYS 187 Ca 0.68 2.23 -0.21 0.00 0.00 0.00 0.00 55.97 58.67 3gyp s LYS 187 Cb -0.25 -3.20 -0.06 0.00 0.00 0.00 0.00 37.83 34.32 3gyp s LYS 187 CO 0.30 -0.53 0.63 -1.25 0.00 0.00 0.00 175.35 174.50 3gyp s PRO 188 N 1.11 4.32 0.12 1.78 0.04 -1.26 -5.15 135.00 135.96 3gyp s PRO 188 Ca 0.67 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3gyp s PRO 188 Cb -0.41 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.79 3gyp s PRO 188 CO 0.31 0.53 1.17 0.42 0.04 0.00 0.00 177.00 179.46 3gyp s ILE 189 N -0.78 3.91 -0.20 0.56 1.01 -1.20 -4.94 121.20 119.57 3gyp s ILE 189 Ca 0.31 1.49 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 3gyp s ILE 189 Cb -0.20 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3gyp s ILE 189 CO 0.20 0.18 0.05 -0.76 0.00 0.00 0.00 174.94 174.61 3gyp s LEU 190 N 0.41 3.63 -0.15 2.97 1.43 -0.49 -4.99 118.68 121.48 3gyp s LEU 190 Ca 0.55 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3gyp s LEU 190 Cb -0.30 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3gyp s LEU 190 CO 0.32 0.10 -0.19 -0.22 0.23 0.00 0.00 176.35 176.59 3gyp s LEU 191 N 0.79 2.24 -0.13 1.79 2.96 -1.26 -0.98 118.68 124.09 3gyp s LEU 191 Ca 0.03 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3gyp s LEU 191 Cb -0.14 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3gyp s LEU 191 CO 0.02 0.07 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.57 3gyp s PHE 192 N 0.90 2.69 0.21 5.38 0.40 0.65 -4.99 117.98 123.23 3gyp s PHE 192 Ca -0.04 -0.98 -0.30 0.00 -0.60 0.00 0.00 56.93 55.00 3gyp s PHE 192 Cb -0.15 -1.80 -0.09 0.00 0.51 0.00 0.00 43.02 41.49 3gyp s PHE 192 CO -0.03 -0.41 1.29 -0.51 0.70 0.00 0.00 175.22 176.27 3gyp s ASP 193 N 0.53 6.91 0.56 1.36 1.01 -1.26 -0.33 116.67 125.46 3gyp s ASP 193 Ca -0.12 2.41 0.25 0.00 0.71 0.00 0.00 52.55 55.79 3gyp s ASP 193 Cb -0.16 -2.61 1.58 0.00 1.01 0.00 0.00 42.92 42.73 3gyp s ASP 193 CO 0.04 -0.50 2.17 0.00 0.21 0.00 0.00 175.17 177.09 3gyp h ALA 194 N 5.15 1.81 0.00 5.23 0.00 -1.61 -1.17 119.26 128.67 3gyp h ALA 194 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gyp h ALA 194 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gyp h ALA 194 CO 0.76 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 3gyp n SER 195 N -4.11 0.00 -0.21 0.00 3.41 -1.26 -3.41 113.62 108.04 3gyp n SER 195 Ca -0.01 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 3gyp n SER 195 Cb 0.17 -0.47 0.45 0.00 -0.26 0.00 0.00 64.21 64.11 3gyp n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gyp n ASP 196 N -1.47 0.85 -4.66 4.04 8.00 -0.44 -4.84 116.55 118.04 3gyp n ASP 196 Ca 0.08 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.36 3gyp n ASP 196 Cb 0.32 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3gyp n ASP 196 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gyp s ILE 197 N -2.49 4.26 -0.11 0.53 1.01 -1.22 -0.41 121.20 122.76 3gyp s ILE 197 Ca 0.26 1.51 -0.15 0.00 0.00 0.00 0.00 60.65 62.26 3gyp s ILE 197 Cb 0.19 -4.02 -0.26 0.00 0.01 0.00 0.00 42.46 38.38 3gyp s ILE 197 CO 0.50 -0.18 0.51 -0.08 0.00 0.00 0.00 174.94 175.69 3gyp h GLU 198 N 8.38 0.23 -3.19 2.79 4.81 -1.00 -3.46 114.58 123.14 3gyp h GLU 198 Ca -0.26 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.56 3gyp h GLU 198 Cb 1.10 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 3gyp h GLU 198 CO 0.98 1.18 0.09 -1.54 -0.73 0.00 0.00 179.01 178.99 3gyp s SER 199 N -7.02 -0.38 -0.05 1.04 1.04 -1.08 -5.03 113.70 102.22 3gyp s SER 199 Ca -0.21 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 55.99 3gyp s SER 199 Cb 0.05 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3gyp s SER 199 CO 0.75 -0.98 -0.09 -0.63 0.98 0.00 0.00 173.24 173.27 3gyp s ILE 200 N -3.81 0.88 -0.06 -1.02 1.09 -1.26 -1.87 121.20 115.15 3gyp s ILE 200 Ca 0.04 -0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.29 3gyp s ILE 200 Cb -0.01 -0.83 -0.02 0.00 -1.06 0.00 0.00 42.46 40.54 3gyp s ILE 200 CO -0.09 0.30 -0.16 0.42 -0.10 0.00 0.00 174.94 175.31 3gyp s THR 201 N 0.71 2.86 0.17 2.92 -4.23 0.34 -4.95 115.64 113.46 3gyp s THR 201 Ca -0.13 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3gyp s THR 201 Cb -0.15 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3gyp s THR 201 CO 0.02 0.57 0.29 -0.31 -0.54 0.00 0.00 174.62 174.66 3gyp s TYR 202 N -0.43 3.46 -0.03 3.99 1.51 -1.26 -0.39 117.35 124.20 3gyp s TYR 202 Ca 0.05 0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 55.89 3gyp s TYR 202 Cb -0.12 -1.63 0.08 0.00 -0.11 0.00 0.00 41.96 40.18 3gyp s TYR 202 CO 0.02 0.50 0.74 0.45 -1.11 0.00 0.00 175.55 176.15 3gyp s SER 203 N -3.39 -0.57 0.26 2.29 0.15 -0.60 -4.97 113.70 106.86 3gyp s SER 203 Ca 0.34 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.58 3gyp s SER 203 Cb -0.11 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 3gyp s SER 203 CO 0.28 -0.63 -0.07 -0.55 1.20 0.00 0.00 173.24 173.48 3gyp s SER 204 N -1.53 4.25 0.00 5.45 0.15 -1.26 0.13 113.70 120.88 3gyp s SER 204 Ca -0.06 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.84 3gyp s SER 204 Cb -0.00 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 3gyp s SER 204 CO 0.03 0.02 0.00 -0.38 1.20 0.00 0.00 173.24 174.11 3gyp n ILE 205 N -0.73 0.00 -3.51 6.45 2.08 -1.26 -4.85 119.36 117.55 3gyp n ILE 205 Ca -0.06 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 3gyp n ILE 205 Cb 0.59 -0.02 0.01 0.00 -0.75 0.00 0.00 39.64 39.47 3gyp n ILE 205 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3gyp n THR 206 N -1.53 0.00 0.10 1.39 -1.04 -1.26 -5.04 114.28 106.89 3gyp n THR 206 Ca 0.00 -1.05 0.11 0.00 -2.04 0.00 0.00 64.05 61.07 3gyp n THR 206 Cb 0.00 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.10 3gyp n THR 206 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3gyp n ARG 207 N -1.27 0.61 -0.02 -2.82 0.00 -1.26 -4.25 116.66 107.65 3gyp n ARG 207 Ca 0.01 0.11 0.02 0.00 -0.00 0.00 0.00 57.85 58.00 3gyp n ARG 207 Cb 0.31 -1.81 0.03 0.00 -0.00 0.00 0.00 32.46 30.98 3gyp n ARG 207 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3gyp n LEU 208 N -2.66 1.66 -4.26 2.89 4.77 -1.26 -5.04 117.00 113.10 3gyp n LEU 208 Ca -0.00 -1.32 -0.14 0.00 -0.03 0.00 0.00 56.01 54.52 3gyp n LEU 208 Cb 0.56 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3gyp n LEU 208 CO 0.40 0.39 -0.32 0.42 -1.33 0.00 0.00 177.39 176.95 3gyp s THR 209 N -0.55 0.69 0.05 -5.08 -4.23 -1.26 -1.95 115.64 103.30 3gyp s THR 209 Ca 0.06 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3gyp s THR 209 Cb 0.04 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 3gyp s THR 209 CO 0.05 -0.40 -0.04 0.72 -0.54 0.00 0.00 174.62 174.41 3gyp s PHE 210 N -3.65 0.52 -0.03 3.99 -0.12 0.43 -4.11 117.98 115.01 3gyp s PHE 210 Ca 0.26 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3gyp s PHE 210 Cb 0.06 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3gyp s PHE 210 CO 0.06 -0.23 0.11 -0.80 -0.05 0.00 0.00 175.22 174.31 3gyp s ASN 211 N -2.24 5.97 -0.25 1.98 -0.87 0.35 -1.33 114.94 118.56 3gyp s ASN 211 Ca -0.03 0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.55 3gyp s ASN 211 Cb -0.01 -1.81 0.05 0.00 -0.02 0.00 0.00 41.25 39.46 3gyp s ASN 211 CO -0.04 0.30 -0.12 0.00 -2.57 0.00 0.00 177.10 174.67 3gyp s ALA 212 N -1.17 2.54 -0.43 0.60 0.00 0.75 -1.56 121.76 122.49 3gyp s ALA 212 Ca 0.22 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 3gyp s ALA 212 Cb -0.12 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.50 3gyp s ALA 212 CO 0.12 -1.03 0.35 -1.12 0.00 0.00 0.00 175.76 174.08 3gyp s SER 213 N 1.15 6.13 -0.19 0.00 0.01 0.48 -1.52 113.70 119.76 3gyp s SER 213 Ca -0.06 -0.96 -0.07 0.00 1.31 0.00 0.00 55.95 56.17 3gyp s SER 213 Cb -0.19 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3gyp s SER 213 CO -0.06 -0.52 0.06 -0.22 0.41 0.00 0.00 173.24 172.91 3gyp s LEU 214 N 1.75 3.75 -0.05 2.44 0.20 -0.33 -0.50 118.68 125.94 3gyp s LEU 214 Ca 0.06 0.04 0.06 0.00 0.69 0.00 0.00 54.13 54.98 3gyp s LEU 214 Cb -0.20 -1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 3gyp s LEU 214 CO 0.10 0.15 -0.23 0.54 -0.29 0.00 0.00 176.35 176.61 3gyp s VAL 215 N 0.54 1.90 0.33 1.68 0.11 -0.78 -0.66 120.40 123.52 3gyp s VAL 215 Ca 0.03 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 3gyp s VAL 215 Cb -0.13 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 3gyp s VAL 215 CO 0.01 0.53 0.49 0.42 -3.33 0.00 0.00 175.10 173.23 3gyp s THR 216 N -0.20 4.71 0.63 5.04 -4.23 -0.25 -0.40 115.64 120.93 3gyp s THR 216 Ca -0.01 -0.76 0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3gyp s THR 216 Cb -0.12 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.37 3gyp s THR 216 CO 0.02 -0.35 1.90 0.11 -0.54 0.00 0.00 174.62 175.77 3gyp h LYS 217 N 0.85 0.00 -0.36 3.99 1.57 -1.06 0.27 116.57 121.84 3gyp h LYS 217 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3gyp h LYS 217 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3gyp h LYS 217 CO 0.58 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.06 3gyp n ASP 218 N -3.32 2.80 0.00 0.86 5.68 -1.26 -4.95 116.55 116.35 3gyp n ASP 218 Ca 0.03 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3gyp n ASP 218 Cb 0.52 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3gyp n ASP 218 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyp n GLY 219 N 1.36 0.85 3.82 6.12 0.00 0.96 -5.05 105.19 113.25 3gyp n GLY 219 Ca 0.18 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3gyp n GLY 219 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gyp s GLU 220 N -0.65 3.97 -0.14 1.61 2.12 -1.25 -4.88 118.70 119.49 3gyp s GLU 220 Ca 0.00 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.77 3gyp s GLU 220 Cb 0.00 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 3gyp s GLU 220 CO 0.00 0.64 -0.17 0.21 -0.54 0.00 0.00 175.26 175.40 3gyp s LYS 221 N -0.92 3.22 -0.09 4.30 2.36 -1.26 -1.10 119.74 126.25 3gyp s LYS 221 Ca 0.24 -0.76 0.04 0.00 -2.55 0.00 0.00 55.97 52.94 3gyp s LYS 221 Cb -0.17 -2.55 0.00 0.00 -1.05 0.00 0.00 37.83 34.07 3gyp s LYS 221 CO 0.13 0.11 -0.23 0.71 1.55 0.00 0.00 175.35 177.62 3gyp s TYR 222 N 0.58 2.43 -0.21 4.03 1.51 0.17 -5.00 117.35 120.85 3gyp s TYR 222 Ca -0.10 -0.98 -0.06 0.00 -1.01 0.00 0.00 57.07 54.92 3gyp s TYR 222 Cb -0.16 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 3gyp s TYR 222 CO 0.03 -0.39 0.04 -2.00 -1.11 0.00 0.00 175.55 172.11 3gyp s GLU 223 N 0.35 3.70 -0.35 -0.62 2.12 -1.26 -1.19 118.70 121.45 3gyp s GLU 223 Ca -0.18 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.62 3gyp s GLU 223 Cb -0.18 -3.18 0.05 0.00 0.26 0.00 0.00 34.13 31.08 3gyp s GLU 223 CO 0.08 -0.00 0.12 -0.06 -0.54 0.00 0.00 175.26 174.86 3gyp s PHE 224 N 1.08 3.30 0.13 5.30 0.40 -0.58 -4.47 117.98 123.13 3gyp s PHE 224 Ca 0.03 -1.58 0.02 0.00 -0.60 0.00 0.00 56.93 54.80 3gyp s PHE 224 Cb -0.14 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 3gyp s PHE 224 CO 0.02 -0.78 0.23 -1.54 0.70 0.00 0.00 175.22 173.86 3gyp s SER 225 N 1.52 6.16 -0.88 1.36 1.04 -0.21 -0.18 113.70 122.52 3gyp s SER 225 Ca -0.01 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 3gyp s SER 225 Cb -0.20 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.10 3gyp s SER 225 CO 0.02 0.09 0.12 0.80 0.98 0.00 0.00 173.24 175.25 3gyp n MET 226 N -0.26 -1.53 -2.27 4.02 1.56 -1.13 -0.91 117.12 116.61 3gyp n MET 226 Ca -0.07 0.50 -0.42 0.00 -0.27 0.00 0.00 57.70 57.45 3gyp n MET 226 Cb 0.53 -4.55 -0.03 0.00 2.15 0.00 0.00 33.22 31.33 3gyp n MET 226 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3gyp s THR 227 N -2.67 3.53 0.21 1.12 2.01 -0.45 -4.76 115.64 114.63 3gyp s THR 227 Ca 0.06 1.14 -0.32 0.00 0.31 0.00 0.00 61.69 62.88 3gyp s THR 227 Cb -0.03 -3.73 -0.14 0.00 0.01 0.00 0.00 72.50 68.61 3gyp s THR 227 CO 0.08 0.11 1.42 0.47 -0.69 0.00 0.00 174.62 176.01 3gyp n ASP 228 N 3.58 2.65 0.00 3.53 10.43 -1.26 -0.43 116.55 135.05 3gyp n ASP 228 Ca 0.09 1.13 0.06 0.00 2.57 0.00 0.00 54.79 58.64 3gyp n ASP 228 Cb 0.44 -1.40 0.35 0.00 1.84 0.00 0.00 41.12 42.36 3gyp n ASP 228 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gyp n GLN 229 N 2.35 0.64 0.24 -1.24 10.64 -0.82 -1.55 117.38 127.64 3gyp n GLN 229 Ca 0.13 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.41 3gyp n GLN 229 Cb 0.30 -1.29 0.56 0.00 -0.86 0.00 0.00 30.24 28.94 3gyp n GLN 229 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3gyp h THR 230 N 0.00 0.60 -0.00 -0.39 2.02 -1.89 -3.25 112.91 109.99 3gyp h THR 230 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3gyp h THR 230 Cb 0.00 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3gyp h THR 230 CO 0.00 0.19 -0.52 -0.62 0.37 0.00 0.00 175.52 174.94 3gyp n GLU 231 N -3.51 0.46 0.31 6.66 -0.58 -0.59 -4.41 120.64 118.98 3gyp n GLU 231 Ca -0.01 -0.32 -0.17 0.00 -0.42 0.00 0.00 57.16 56.24 3gyp n GLU 231 Cb 0.36 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 3gyp n GLU 231 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3gyp h TYR 232 N 0.77 -0.91 -0.88 -0.32 3.20 -1.72 -1.53 116.97 115.58 3gyp h TYR 232 Ca 0.00 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.98 3gyp h TYR 232 Cb 0.54 0.33 -0.14 0.00 1.54 0.00 0.00 36.73 39.01 3gyp h TYR 232 CO 0.00 -0.52 -0.45 0.00 -1.64 0.00 0.00 178.16 175.55 3gyp h ALA 233 N -0.48 -0.15 -0.29 1.82 0.00 -1.82 -0.31 119.26 118.03 3gyp h ALA 233 Ca -0.07 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3gyp h ALA 233 Cb 0.70 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 3gyp h ALA 233 CO 0.06 -0.77 0.00 0.87 0.00 0.00 0.00 179.25 179.42 3gyp h LYS 234 N -0.06 0.09 -0.23 0.00 1.57 -1.78 -2.44 116.57 113.72 3gyp h LYS 234 Ca 0.25 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3gyp h LYS 234 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3gyp h LYS 234 CO -0.89 0.06 -0.04 0.82 -0.57 0.00 0.00 179.45 178.82 3gyp h ILE 235 N 0.09 1.28 -0.60 1.86 2.04 -0.40 -0.35 117.51 121.43 3gyp h ILE 235 Ca 0.14 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3gyp h ILE 235 Cb 0.18 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3gyp h ILE 235 CO -0.23 0.31 0.36 -0.78 0.00 0.00 0.00 178.15 177.81 3gyp h ASP 236 N 0.17 0.73 -0.50 1.72 3.58 -1.11 -1.49 116.42 119.52 3gyp h ASP 236 Ca 0.06 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3gyp h ASP 236 Cb 0.49 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3gyp h ASP 236 CO 0.02 0.58 0.02 -0.78 -2.88 0.00 0.00 179.24 176.21 3gyp h ASP 237 N 0.82 0.85 -0.10 2.28 3.58 -1.33 -1.70 116.42 120.83 3gyp h ASP 237 Ca 0.22 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.39 3gyp h ASP 237 Cb -0.01 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.77 3gyp h ASP 237 CO -0.04 0.94 -0.42 0.22 -2.88 0.00 0.00 179.24 177.06 3gyp h TYR 238 N 0.74 -1.24 -0.26 0.28 3.20 -0.81 -1.57 116.97 117.32 3gyp h TYR 238 Ca 0.14 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3gyp h TYR 238 Cb 0.49 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 3gyp h TYR 238 CO 0.04 -0.42 -0.14 0.28 -1.64 0.00 0.00 178.16 176.27 3gyp h VAL 239 N -0.45 0.57 -0.88 1.81 2.07 -1.14 -1.03 116.25 117.20 3gyp h VAL 239 Ca 0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3gyp h VAL 239 Cb 0.52 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3gyp h VAL 239 CO -0.33 0.00 0.58 0.11 0.02 0.00 0.00 177.57 177.95 3gyp h LYS 240 N -0.12 0.99 -0.26 1.57 6.56 -1.24 -0.51 116.57 123.57 3gyp h LYS 240 Ca 0.14 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3gyp h LYS 240 Cb 0.32 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 3gyp h LYS 240 CO -0.33 0.66 0.02 0.00 -2.06 0.00 0.00 179.45 177.74 3gyp h ARG 241 N 1.02 0.44 0.00 3.15 3.08 -0.55 -3.08 114.38 118.44 3gyp h ARG 241 Ca 0.37 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3gyp h ARG 241 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3gyp h ARG 241 CO -0.13 0.58 0.00 1.63 -1.07 0.00 0.00 179.97 180.98 3gyp n LYS 242 N -4.65 0.02 0.00 0.04 4.01 -0.46 -5.12 118.16 112.01 3gyp n LYS 242 Ca -0.03 0.22 0.10 0.00 -0.51 0.00 0.00 58.31 58.09 3gyp n LYS 242 Cb 0.22 -1.54 0.09 0.00 -0.51 0.00 0.00 35.03 33.29 3gyp n LYS 242 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33