#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyg s VAL 2 N 0.00 4.89 0.03 6.31 1.01 -1.26 -3.65 120.40 127.72 1qyg s VAL 2 Ca 0.00 1.85 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 1qyg s VAL 2 Cb 0.00 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1qyg s VAL 2 CO 0.00 0.12 0.29 0.42 0.00 0.00 0.00 175.10 175.92 1qyg s THR 3 N 1.42 0.08 -0.04 3.92 -4.23 0.14 -4.98 115.64 111.96 1qyg s THR 3 Ca 0.46 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1qyg s THR 3 Cb -0.19 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 72.83 1qyg s THR 3 CO 0.21 -0.36 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.10 1qyg s LEU 4 N -1.86 1.57 -0.15 4.79 1.43 -1.26 -0.98 118.68 122.23 1qyg s LEU 4 Ca -0.07 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1qyg s LEU 4 Cb -0.02 -0.49 0.05 0.00 0.03 0.00 0.00 46.19 45.75 1qyg s LEU 4 CO -0.01 0.00 0.02 -1.58 0.23 0.00 0.00 176.35 175.01 1qyg s GLN 5 N 0.55 0.67 0.39 1.70 0.74 -0.78 -3.90 119.66 119.03 1qyg s GLN 5 Ca -0.08 -0.24 -0.17 0.00 0.05 0.00 0.00 55.36 54.92 1qyg s GLN 5 Cb -0.12 -1.71 -0.09 0.00 1.10 0.00 0.00 33.01 32.19 1qyg s GLN 5 CO 0.01 -0.52 0.85 -1.21 -0.55 0.00 0.00 175.29 173.87 1qyg s GLU 6 N 1.89 4.06 0.23 1.67 8.01 -1.26 -1.23 118.70 132.08 1qyg s GLU 6 Ca 0.01 0.86 -0.11 0.00 0.01 0.00 0.00 54.97 55.74 1qyg s GLU 6 Cb -0.15 -2.29 -0.01 0.00 -4.31 0.00 0.00 34.13 27.37 1qyg s GLU 6 CO -0.07 0.02 0.43 -1.54 0.01 0.00 0.00 175.26 174.10 1qyg s SER 7 N -2.41 -0.06 0.00 -0.19 1.04 0.12 -4.94 113.70 107.26 1qyg s SER 7 Ca 0.58 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1qyg s SER 7 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1qyg s SER 7 CO 0.19 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1qyg n GLY 8 N -0.35 0.66 0.00 7.32 0.00 -1.26 -1.34 105.19 110.22 1qyg n GLY 8 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qyg n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qyg n GLY 9 N -2.03 0.44 0.00 -0.02 0.00 -1.26 -4.57 105.19 97.75 1qyg n GLY 9 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1qyg n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qyg n GLY 10 N 5.00 -0.07 3.76 -0.02 0.00 0.11 -4.98 105.19 108.98 1qyg n GLY 10 Ca 0.00 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 1qyg n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qyg s LEU 11 N 0.00 4.56 -0.04 0.99 2.96 -1.26 -1.64 118.68 124.25 1qyg s LEU 11 Ca 0.00 2.25 -0.07 0.00 -0.22 0.00 0.00 54.13 56.10 1qyg s LEU 11 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1qyg s LEU 11 CO 0.00 -0.13 0.16 0.54 -1.32 0.00 0.00 176.35 175.60 1qyg s VAL 12 N -1.17 0.04 0.31 1.68 0.11 0.11 -4.91 120.40 116.57 1qyg s VAL 12 Ca 0.44 -0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1qyg s VAL 12 Cb -0.32 -0.33 -0.10 0.00 -1.53 0.00 0.00 36.38 34.10 1qyg s VAL 12 CO 0.41 -0.16 1.39 -1.58 -3.33 0.00 0.00 175.10 171.82 1qyg s GLN 13 N -0.55 4.28 0.47 1.54 2.00 -1.26 -1.45 119.66 124.70 1qyg s GLN 13 Ca -0.06 2.31 -0.25 0.00 -2.00 0.00 0.00 55.36 55.36 1qyg s GLN 13 Cb -0.04 -3.07 -0.08 0.00 0.80 0.00 0.00 33.01 30.63 1qyg s GLN 13 CO 0.01 -0.33 1.42 -2.30 -0.50 0.00 0.00 175.29 173.59 1qyg n PRO 14 N 1.33 2.15 -0.71 1.67 -0.02 -1.26 0.66 135.00 138.82 1qyg n PRO 14 Ca 0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1qyg n PRO 14 Cb 0.41 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1qyg n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qyg n GLY 15 N 0.61 0.59 0.00 -1.23 0.00 0.87 -4.92 105.19 101.11 1qyg n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qyg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qyg n GLY 16 N -2.00 -0.04 3.25 -0.02 0.00 0.21 -4.25 105.19 102.35 1qyg n GLY 16 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1qyg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qyg s SER 17 N -1.00 2.03 -0.27 1.61 0.01 -1.26 -2.59 113.70 112.22 1qyg s SER 17 Ca 0.00 -0.84 -0.22 0.00 1.31 0.00 0.00 55.95 56.20 1qyg s SER 17 Cb 0.00 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.24 1qyg s SER 17 CO 0.00 -0.16 0.74 -0.32 0.41 0.00 0.00 173.24 173.91 1qyg s MET 18 N -2.84 0.76 -0.19 12.44 0.00 -0.28 -4.93 119.30 124.26 1qyg s MET 18 Ca 0.11 1.03 -0.02 0.00 0.00 0.00 0.00 55.69 56.81 1qyg s MET 18 Cb -0.04 0.30 -0.00 0.00 0.00 0.00 0.00 34.83 35.08 1qyg s MET 18 CO 0.03 -0.11 -0.10 0.21 0.00 0.00 0.00 175.02 175.05 1qyg s LYS 19 N 0.82 3.30 0.18 4.11 2.20 -1.26 -0.30 119.74 128.78 1qyg s LYS 19 Ca -0.03 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 1qyg s LYS 19 Cb -0.05 -2.81 -0.06 0.00 -1.51 0.00 0.00 37.83 33.40 1qyg s LYS 19 CO -0.07 -0.09 0.45 -0.51 -0.36 0.00 0.00 175.35 174.77 1qyg s LEU 20 N 1.13 4.22 0.25 5.43 1.43 0.64 -4.63 118.68 127.14 1qyg s LEU 20 Ca 0.01 0.72 0.10 0.00 -1.03 0.00 0.00 54.13 53.93 1qyg s LEU 20 Cb -0.14 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1qyg s LEU 20 CO -0.03 -0.01 -0.18 -0.44 0.23 0.00 0.00 176.35 175.92 1qyg s SER 21 N -2.45 3.20 -0.18 2.29 0.01 -0.45 -0.39 113.70 115.73 1qyg s SER 21 Ca 0.44 -1.01 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 1qyg s SER 21 Cb -0.12 -0.24 0.09 0.00 0.21 0.00 0.00 66.02 65.97 1qyg s SER 21 CO 0.24 -0.03 0.36 0.00 0.41 0.00 0.00 173.24 174.21 1qyg s ALA 23 N 2.53 3.58 0.07 0.00 0.00 -0.36 -1.39 121.76 126.18 1qyg s ALA 23 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1qyg s ALA 23 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1qyg s ALA 23 CO -0.12 -0.08 0.14 0.00 0.00 0.00 0.00 175.76 175.70 1qyg s ALA 24 N 0.83 3.76 0.08 0.00 0.00 0.65 -1.87 121.76 125.21 1qyg s ALA 24 Ca 0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 1qyg s ALA 24 Cb -0.13 -1.61 0.06 0.00 0.00 0.00 0.00 23.12 21.44 1qyg s ALA 24 CO 0.02 0.78 0.59 -1.54 0.00 0.00 0.00 175.76 175.62 1qyg s SER 25 N -2.42 -0.54 0.00 0.00 1.04 -0.15 -4.85 113.70 106.78 1qyg s SER 25 Ca 0.32 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1qyg s SER 25 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1qyg s SER 25 CO 0.24 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1qyg n GLY 26 N 0.11 0.75 3.66 7.32 0.00 -1.24 -0.68 105.19 115.11 1qyg n GLY 26 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1qyg n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qyg s PHE 27 N -2.44 0.08 -0.94 1.61 -0.12 -1.26 -4.14 117.98 110.77 1qyg s PHE 27 Ca 0.00 -0.47 -0.22 0.00 -0.05 0.00 0.00 56.93 56.20 1qyg s PHE 27 Cb 0.00 0.40 0.08 0.00 -0.63 0.00 0.00 43.02 42.87 1qyg s PHE 27 CO 0.00 -1.05 1.28 0.99 -0.05 0.00 0.00 175.22 176.39 1qyg s THR 28 N -3.95 4.24 0.28 -4.49 2.01 -1.26 -4.81 115.64 107.66 1qyg s THR 28 Ca 0.16 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1qyg s THR 28 Cb -0.02 -4.92 0.26 0.00 0.01 0.00 0.00 72.50 67.83 1qyg s THR 28 CO 0.06 -1.74 1.94 0.15 -0.69 0.00 0.00 174.62 174.34 1qyg h PHE 29 N 9.44 1.14 0.00 4.92 3.57 -1.96 -1.72 116.94 132.34 1qyg h PHE 29 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1qyg h PHE 29 Cb 1.02 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1qyg h PHE 29 CO 1.20 0.69 -0.03 0.66 -2.23 0.00 0.00 178.31 178.61 1qyg h SER 30 N 1.21 0.00 0.93 0.41 4.64 -1.90 -1.78 113.55 117.06 1qyg h SER 30 Ca 0.35 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 1qyg h SER 30 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1qyg h SER 30 CO -0.09 0.03 -1.10 0.44 -0.87 0.00 0.00 176.83 175.25 1qyg h ASP 31 N 0.00 0.00 -4.14 4.97 3.32 -1.65 -3.40 116.42 115.53 1qyg h ASP 31 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1qyg h ASP 31 Cb 0.12 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.74 1qyg h ASP 31 CO 0.00 0.15 0.40 0.00 -1.72 0.00 0.00 179.24 178.07 1qyg s ALA 32 N -3.25 2.63 -0.13 3.45 0.00 -0.67 -4.79 121.76 119.00 1qyg s ALA 32 Ca -0.01 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 1qyg s ALA 32 Cb 0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1qyg s ALA 32 CO 0.79 -0.92 0.12 -1.58 0.00 0.00 0.00 175.76 174.17 1qyg s TRP 33 N -2.09 3.50 -0.02 0.00 0.52 -0.54 -4.09 118.94 116.23 1qyg s TRP 33 Ca 0.69 0.44 0.06 0.00 0.02 0.00 0.00 56.10 57.31 1qyg s TRP 33 Cb -0.21 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 1qyg s TRP 33 CO 0.33 0.62 -0.19 0.08 0.02 0.00 0.00 176.95 177.80 1qyg s VAL 34 N -0.76 1.53 0.15 4.03 1.01 -0.63 -1.17 120.40 124.55 1qyg s VAL 34 Ca 0.13 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1qyg s VAL 34 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1qyg s VAL 34 CO 0.03 0.43 -0.05 -1.81 0.00 0.00 0.00 175.10 173.70 1qyg s ASP 35 N -0.41 1.37 -0.07 3.32 1.01 0.14 -1.09 116.67 120.93 1qyg s ASP 35 Ca 0.06 -1.08 0.03 0.00 0.71 0.00 0.00 52.55 52.28 1qyg s ASP 35 Cb -0.08 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.90 1qyg s ASP 35 CO -0.00 -0.47 -0.16 0.26 0.21 0.00 0.00 175.17 175.00 1qyg s TRP 36 N -3.55 2.67 0.04 4.23 0.52 0.04 -1.53 118.94 121.36 1qyg s TRP 36 Ca 0.18 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1qyg s TRP 36 Cb 0.05 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1qyg s TRP 36 CO 0.00 0.02 -0.16 0.08 0.02 0.00 0.00 176.95 176.92 1qyg s VAL 37 N -0.39 1.28 0.21 4.03 1.01 -0.43 -0.11 120.40 126.00 1qyg s VAL 37 Ca 0.04 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1qyg s VAL 37 Cb -0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1qyg s VAL 37 CO 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 175.10 175.09 1qyg s ARG 38 N -1.11 1.34 -0.05 2.72 1.70 0.67 -0.25 118.95 123.97 1qyg s ARG 38 Ca 0.04 -1.62 0.05 0.00 -0.47 0.00 0.00 55.73 53.72 1qyg s ARG 38 Cb -0.08 -1.01 -0.00 0.00 -0.57 0.00 0.00 34.95 33.29 1qyg s ARG 38 CO 0.01 0.11 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.02 1qyg s GLN 39 N -3.70 1.93 0.08 3.89 0.74 -0.28 0.29 119.66 122.62 1qyg s GLN 39 Ca 0.24 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1qyg s GLN 39 Cb 0.01 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.42 1qyg s GLN 39 CO 0.07 0.27 0.03 -1.54 -0.55 0.00 0.00 175.29 173.57 1qyg s SER 40 N 0.01 0.39 0.08 6.67 1.04 -0.95 -2.21 113.70 118.72 1qyg s SER 40 Ca -0.04 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.09 1qyg s SER 40 Cb -0.12 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1qyg s SER 40 CO 0.02 -0.66 1.03 -2.84 0.98 0.00 0.00 173.24 171.77 1qyg s PRO 41 N -3.95 4.60 0.00 4.02 0.02 -1.26 -0.68 135.00 137.75 1qyg s PRO 41 Ca 0.11 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1qyg s PRO 41 Cb 0.07 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1qyg s PRO 41 CO -0.07 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 1qyg n GLY 42 N 2.53 2.29 0.00 0.52 0.00 -1.26 -4.78 105.19 104.50 1qyg n GLY 42 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1qyg n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qyg n LYS 43 N 0.00 2.92 0.00 1.61 2.85 -1.16 -5.12 118.16 119.27 1qyg n LYS 43 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qyg n LYS 43 Cb 0.00 -0.67 0.00 0.00 -0.65 0.00 0.00 35.03 33.71 1qyg n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qyg n GLY 44 N 1.22 0.27 3.73 2.58 0.00 0.14 -4.67 105.19 108.45 1qyg n GLY 44 Ca 0.00 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1qyg n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qyg s LEU 45 N 0.00 4.50 -0.06 0.99 1.43 -1.26 -2.25 118.68 122.03 1qyg s LEU 45 Ca 0.00 1.83 -0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1qyg s LEU 45 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.65 1qyg s LEU 45 CO 0.00 -0.07 -0.03 -0.70 0.23 0.00 0.00 176.35 175.78 1qyg s GLU 46 N -0.08 0.81 0.26 1.70 2.12 0.15 -4.98 118.70 118.67 1qyg s GLU 46 Ca 0.47 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 1qyg s GLU 46 Cb -0.24 -0.99 -0.09 0.00 0.26 0.00 0.00 34.13 33.07 1qyg s GLU 46 CO 0.30 -0.21 1.27 -0.46 -0.54 0.00 0.00 175.26 175.63 1qyg s TRP 47 N 1.50 3.23 -0.08 5.30 -0.00 -1.26 -0.23 118.94 127.40 1qyg s TRP 47 Ca -0.02 1.37 -0.09 0.00 -0.00 0.00 0.00 56.10 57.37 1qyg s TRP 47 Cb -0.13 -3.58 -0.04 0.00 -0.00 0.00 0.00 33.47 29.72 1qyg s TRP 47 CO -0.03 -1.65 -0.19 0.28 -0.00 0.00 0.00 176.95 175.36 1qyg n VAL 48 N 1.70 1.20 -3.64 5.86 0.31 0.85 -4.63 118.33 119.97 1qyg n VAL 48 Ca 0.03 0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 1qyg n VAL 48 Cb 0.43 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 1qyg n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qyg s ALA 49 N -2.41 -1.32 -0.04 3.52 0.00 -1.12 -1.33 121.76 119.06 1qyg s ALA 49 Ca -0.17 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 1qyg s ALA 49 Cb 0.04 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1qyg s ALA 49 CO 0.24 -0.86 0.17 -2.00 0.00 0.00 0.00 175.76 173.30 1qyg s GLU 50 N -3.83 0.33 -0.09 0.00 2.12 -0.19 -0.78 118.70 116.26 1qyg s GLU 50 Ca 0.06 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1qyg s GLU 50 Cb -0.03 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.52 1qyg s GLU 50 CO -0.04 -0.06 -0.20 -1.50 -0.54 0.00 0.00 175.26 172.92 1qyg s ILE 51 N -0.52 1.73 0.91 -3.70 2.07 -0.25 -1.36 121.20 120.09 1qyg s ILE 51 Ca -0.06 -0.83 -0.13 0.00 -1.41 0.00 0.00 60.65 58.22 1qyg s ILE 51 Cb -0.04 -1.52 0.18 0.00 0.13 0.00 0.00 42.46 41.20 1qyg s ILE 51 CO 0.01 0.49 1.26 -0.13 -1.91 0.00 0.00 174.94 174.66 1qyg s ARG 52 N 0.49 0.94 0.87 3.50 0.52 0.03 -1.61 118.95 123.70 1qyg s ARG 52 Ca -0.17 -0.44 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1qyg s ARG 52 Cb -0.17 -1.93 0.15 0.00 0.52 0.00 0.00 34.95 33.52 1qyg s ARG 52 CO 0.06 -2.18 1.22 0.54 0.02 0.00 0.00 175.30 174.96 1qyg s ASN 52 N -4.83 3.74 0.34 0.23 2.20 -1.26 -4.10 114.94 111.26 1qyg s ASN 52 Ca 0.71 0.32 0.02 0.00 -0.94 0.00 0.00 52.86 52.98 1qyg s ASN 52 Cb -0.05 -0.56 0.60 0.00 -2.00 0.00 0.00 41.25 39.24 1qyg s ASN 52 CO 0.51 -2.33 1.94 0.50 -2.94 0.00 0.00 177.10 174.78 1qyg h LYS 52 N -1.27 0.72 0.00 3.55 3.64 -1.92 0.11 116.57 121.40 1qyg h LYS 52 Ca -0.44 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1qyg h LYS 52 Cb 1.27 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1qyg h LYS 52 CO 0.46 0.57 -0.10 0.00 -2.27 0.00 0.00 179.45 178.12 1qyg h ALA 52 N 1.53 1.51 -0.79 5.00 0.00 -1.93 -0.30 119.26 124.28 1qyg h ALA 52 Ca 0.18 -0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.55 1qyg h ALA 52 Cb 0.10 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 17.62 1qyg h ALA 52 CO -0.02 0.13 0.39 0.09 0.00 0.00 0.00 179.25 179.84 1qyg n ASN 53 N -3.95 4.08 -1.80 0.00 3.02 -0.11 -4.94 115.26 111.56 1qyg n ASN 53 Ca -0.02 -3.71 -0.18 0.00 -0.03 0.00 0.00 54.58 50.64 1qyg n ASN 53 Cb 0.19 -0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 38.55 1qyg n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1qyg n ASN 54 N -1.08 -5.23 -3.34 6.41 4.05 -0.12 -2.88 115.26 113.06 1qyg n ASN 54 Ca 0.52 0.16 -0.21 0.00 0.45 0.00 0.00 54.58 55.50 1qyg n ASN 54 Cb 1.28 -4.31 -0.02 0.00 1.23 0.00 0.00 39.78 37.96 1qyg n ASN 54 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1qyg n HIS 55 N -3.42 -1.69 -1.75 1.20 8.25 -0.43 -4.88 115.22 112.50 1qyg n HIS 55 Ca -0.20 0.38 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 1qyg n HIS 55 Cb 0.64 -2.32 0.05 0.00 1.12 0.00 0.00 29.99 29.48 1qyg n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qyg s ALA 56 N -2.77 2.39 0.19 -1.41 0.00 -1.14 -4.39 121.76 114.63 1qyg s ALA 56 Ca 0.37 0.78 0.11 0.00 0.00 0.00 0.00 51.96 53.21 1qyg s ALA 56 Cb -0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1qyg s ALA 56 CO 0.45 -1.40 -0.20 0.95 0.00 0.00 0.00 175.76 175.57 1qyg s THR 57 N -2.02 2.60 0.00 0.00 -4.23 -1.26 -0.79 115.64 109.95 1qyg s THR 57 Ca 0.72 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1qyg s THR 57 Cb -0.26 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 1qyg s THR 57 CO 0.39 -0.11 0.08 -0.54 -0.54 0.00 0.00 174.62 173.90 1qyg s LYS 58 N -2.70 0.36 0.06 3.99 -0.14 -0.46 -4.99 119.74 115.85 1qyg s LYS 58 Ca 0.22 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.48 1qyg s LYS 58 Cb -0.08 0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 36.18 1qyg s LYS 58 CO 0.11 -0.07 -0.07 0.71 -0.76 0.00 0.00 175.35 175.26 1qyg s TYR 59 N -1.13 0.74 0.46 3.18 2.02 -1.26 -1.02 117.35 120.33 1qyg s TYR 59 Ca -0.12 -0.63 -0.21 0.00 -0.37 0.00 0.00 57.07 55.73 1qyg s TYR 59 Cb -0.07 -0.44 -0.09 0.00 -0.40 0.00 0.00 41.96 40.96 1qyg s TYR 59 CO 0.00 -0.11 1.03 -0.08 -1.57 0.00 0.00 175.55 174.82 1qyg s THR 60 N -2.09 3.87 0.26 -0.71 -1.32 -0.44 -4.88 115.64 110.33 1qyg s THR 60 Ca -0.03 1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 61.62 1qyg s THR 60 Cb -0.05 -3.52 0.29 0.00 -1.51 0.00 0.00 72.50 67.70 1qyg s THR 60 CO -0.01 -0.20 1.64 -0.08 -2.21 0.00 0.00 174.62 173.76 1qyg h GLU 61 N 1.81 0.13 0.00 7.08 4.57 -1.95 -2.28 114.58 123.95 1qyg h GLU 61 Ca -0.49 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1qyg h GLU 61 Cb 1.21 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1qyg h GLU 61 CO 0.60 0.09 0.00 -1.13 -1.18 0.00 0.00 179.01 177.39 1qyg n SER 62 N -5.31 0.05 -0.01 1.04 3.41 -1.26 -2.75 113.62 108.79 1qyg n SER 62 Ca 0.16 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1qyg n SER 62 Cb 0.53 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qyg n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1qyg n VAL 63 N -1.56 0.00 -1.82 -3.33 0.24 -0.88 -4.97 118.33 106.01 1qyg n VAL 63 Ca 0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1qyg n VAL 63 Cb 0.15 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 1qyg n VAL 63 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1qyg s LYS 64 N -0.17 4.16 0.00 7.34 1.02 -1.09 -1.15 119.74 129.86 1qyg s LYS 64 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 55.97 58.50 1qyg s LYS 64 Cb 0.00 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1qyg s LYS 64 CO 0.01 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.19 1qyg n GLY 65 N 3.35 3.08 0.09 -3.33 0.00 -1.26 -4.79 105.19 102.32 1qyg n GLY 65 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1qyg n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qyg n ARG 66 N -2.00 1.06 -4.26 1.61 1.74 -0.30 -5.00 116.66 109.52 1qyg n ARG 66 Ca 0.00 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1qyg n ARG 66 Cb 0.00 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1qyg n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1qyg s PHE 67 N -2.38 2.82 -0.08 -1.55 0.40 -0.46 -1.07 117.98 115.65 1qyg s PHE 67 Ca -0.16 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1qyg s PHE 67 Cb 0.06 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1qyg s PHE 67 CO 0.56 0.43 -0.07 0.99 0.70 0.00 0.00 175.22 177.83 1qyg s THR 68 N -1.19 0.86 -0.01 0.64 2.01 0.03 -4.84 115.64 113.14 1qyg s THR 68 Ca 0.21 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1qyg s THR 68 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1qyg s THR 68 CO 0.13 0.32 0.23 -0.51 -0.69 0.00 0.00 174.62 174.11 1qyg s ILE 69 N 1.36 5.36 0.24 1.82 2.07 -1.26 -0.64 121.20 130.14 1qyg s ILE 69 Ca -0.03 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.18 1qyg s ILE 69 Cb -0.14 -3.54 -0.01 0.00 0.13 0.00 0.00 42.46 38.90 1qyg s ILE 69 CO -0.03 0.38 0.45 -0.94 -1.91 0.00 0.00 174.94 172.88 1qyg s SER 70 N -1.71 -0.08 0.03 4.50 1.04 -0.92 -4.97 113.70 111.61 1qyg s SER 70 Ca 0.26 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1qyg s SER 70 Cb -0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1qyg s SER 70 CO 0.16 -1.10 0.19 0.00 0.98 0.00 0.00 173.24 173.46 1qyg s ARG 71 N -4.02 0.67 -0.33 4.02 1.70 -1.26 -0.70 118.95 119.04 1qyg s ARG 71 Ca 0.22 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 1qyg s ARG 71 Cb -0.00 0.28 0.11 0.00 -0.57 0.00 0.00 34.95 34.76 1qyg s ARG 71 CO 0.08 -0.19 0.12 0.34 -1.08 0.00 0.00 175.30 174.57 1qyg s ASP 72 N -2.00 3.91 0.45 -2.89 -1.08 -0.04 -4.99 116.67 110.03 1qyg s ASP 72 Ca -0.06 -1.76 0.18 0.00 -0.52 0.00 0.00 52.55 50.38 1qyg s ASP 72 Cb -0.02 -0.83 1.06 0.00 -1.46 0.00 0.00 42.92 41.66 1qyg s ASP 72 CO -0.03 -0.39 1.97 0.44 0.52 0.00 0.00 175.17 177.67 1qyg h ASP 73 N 7.89 0.00 0.93 -0.34 3.32 -1.96 -1.31 116.42 124.95 1qyg h ASP 73 Ca -0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1qyg h ASP 73 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1qyg h ASP 73 CO 0.46 0.22 -0.10 0.77 -1.72 0.00 0.00 179.24 178.87 1qyg h SER 74 N 0.00 0.00 -0.41 6.45 4.64 -1.95 -1.92 113.55 120.36 1qyg h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qyg h SER 74 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1qyg h SER 74 CO 0.03 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 1qyg n LYS 75 N -3.26 2.48 -3.88 4.77 5.02 -0.70 -4.99 118.16 117.59 1qyg n LYS 75 Ca 0.00 -2.15 -0.25 0.00 -2.02 0.00 0.00 58.31 53.89 1qyg n LYS 75 Cb 0.35 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1qyg n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qyg n SER 76 N 1.02 -0.85 -4.09 4.39 7.64 -0.58 -4.67 113.62 116.47 1qyg n SER 76 Ca 0.16 -0.97 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 1qyg n SER 76 Cb 0.50 -3.26 -0.11 0.00 -1.01 0.00 0.00 64.21 60.32 1qyg n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1qyg s SER 77 N -4.30 0.99 0.12 6.43 0.01 -0.89 -0.25 113.70 115.81 1qyg s SER 77 Ca 0.04 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.74 1qyg s SER 77 Cb -0.01 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1qyg s SER 77 CO 0.87 -0.23 -0.17 0.54 0.41 0.00 0.00 173.24 174.66 1qyg s VAL 78 N -1.71 1.54 0.13 3.43 0.11 -0.48 -0.86 120.40 122.55 1qyg s VAL 78 Ca -0.06 -1.66 0.04 0.00 -2.93 0.00 0.00 61.98 57.37 1qyg s VAL 78 Cb -0.08 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 1qyg s VAL 78 CO -0.00 -0.26 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.11 1qyg s TYR 79 N -1.70 1.16 -0.21 1.54 2.02 0.13 -1.47 117.35 118.80 1qyg s TYR 79 Ca 0.08 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 1qyg s TYR 79 Cb -0.07 -0.61 0.07 0.00 -0.40 0.00 0.00 41.96 40.95 1qyg s TYR 79 CO 0.04 0.02 0.04 -1.17 -1.57 0.00 0.00 175.55 172.91 1qyg s LEU 80 N -3.04 1.37 -0.25 -1.29 2.96 0.48 -2.16 118.68 116.76 1qyg s LEU 80 Ca 0.14 -0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 52.90 1qyg s LEU 80 Cb 0.02 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 1qyg s LEU 80 CO -0.01 -0.32 0.56 -1.58 -1.32 0.00 0.00 176.35 173.68 1qyg s GLN 81 N 1.81 4.10 -0.16 1.98 2.00 0.19 -0.26 119.66 129.32 1qyg s GLN 81 Ca 0.00 0.42 -0.01 0.00 -2.00 0.00 0.00 55.36 53.77 1qyg s GLN 81 Cb -0.17 -3.64 -0.01 0.00 0.80 0.00 0.00 33.01 29.99 1qyg s GLN 81 CO -0.11 -0.35 -0.10 -1.64 -0.50 0.00 0.00 175.29 172.59 1qyg s MET 82 N 2.30 3.40 0.32 1.67 -1.94 0.58 -0.79 119.30 124.84 1qyg s MET 82 Ca 0.23 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.65 1qyg s MET 82 Cb -0.16 -2.76 -0.06 0.00 2.01 0.00 0.00 34.83 33.86 1qyg s MET 82 CO 0.09 0.09 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.29 1qyg s ASN 82 N 0.70 3.45 -1.38 3.03 0.02 -0.23 -1.12 114.94 119.40 1qyg s ASN 82 Ca -0.05 -1.17 -0.02 0.00 -1.02 0.00 0.00 52.86 50.60 1qyg s ASN 82 Cb -0.15 -0.29 0.00 0.00 0.02 0.00 0.00 41.25 40.83 1qyg s ASN 82 CO 0.02 -0.21 0.45 -1.20 0.02 0.00 0.00 177.10 176.18 1qyg n SER 82 N -0.71 -0.74 -4.77 -1.22 7.64 -1.07 -4.73 113.62 108.02 1qyg n SER 82 Ca -0.05 -1.01 -0.39 0.00 1.01 0.00 0.00 58.87 58.43 1qyg n SER 82 Cb 0.63 -3.06 -0.01 0.00 -1.01 0.00 0.00 64.21 60.77 1qyg n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qyg s LEU 82 N -6.93 4.18 0.27 -3.43 1.43 -1.08 -4.65 118.68 108.47 1qyg s LEU 82 Ca 0.05 2.55 0.07 0.00 -1.03 0.00 0.00 54.13 55.77 1qyg s LEU 82 Cb -0.02 -3.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 1qyg s LEU 82 CO 0.89 -0.84 -0.07 -0.13 0.23 0.00 0.00 176.35 176.42 1qyg s ARG 83 N -2.32 1.54 0.45 1.70 0.52 -1.26 -0.09 118.95 119.49 1qyg s ARG 83 Ca 0.58 -1.77 0.11 0.00 -0.52 0.00 0.00 55.73 54.13 1qyg s ARG 83 Cb -0.36 -1.19 1.00 0.00 0.52 0.00 0.00 34.95 34.92 1qyg s ARG 83 CO 0.45 0.07 2.06 0.00 0.02 0.00 0.00 175.30 177.90 1qyg h ALA 84 N 2.30 1.77 0.00 2.13 0.00 -1.96 0.13 119.26 123.64 1qyg h ALA 84 Ca -0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qyg h ALA 84 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qyg h ALA 84 CO 0.66 0.19 0.00 -0.85 0.00 0.00 0.00 179.25 179.25 1qyg n GLU 85 N -4.45 0.08 0.00 0.00 0.28 -1.26 -1.70 120.64 113.58 1qyg n GLU 85 Ca -0.00 0.26 0.13 0.00 -0.16 0.00 0.00 57.16 57.38 1qyg n GLU 85 Cb 0.12 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 31.83 1qyg n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qyg n ASP 86 N -1.39 1.22 -4.76 -1.84 8.00 0.47 -4.88 116.55 113.38 1qyg n ASP 86 Ca 0.04 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 1qyg n ASP 86 Cb 0.10 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1qyg n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qyg s THR 87 N -2.44 2.90 0.00 -3.53 2.01 -0.69 -4.90 115.64 108.99 1qyg s THR 87 Ca 0.25 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1qyg s THR 87 Cb 0.19 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1qyg s THR 87 CO 0.51 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 1qyg n GLY 88 N 1.51 -0.80 3.75 4.40 0.00 -0.45 -4.79 105.19 108.81 1qyg n GLY 88 Ca 0.03 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 1qyg n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyg s ILE 89 N -2.00 5.02 -0.14 -0.61 -1.09 -0.94 -0.21 121.20 121.23 1qyg s ILE 89 Ca 0.00 1.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.51 1qyg s ILE 89 Cb 0.00 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1qyg s ILE 89 CO 0.00 0.39 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.76 1qyg s TYR 90 N 0.07 3.05 -0.02 3.97 1.51 0.38 -1.12 117.35 125.19 1qyg s TYR 90 Ca 0.29 -0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1qyg s TYR 90 Cb -0.17 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1qyg s TYR 90 CO 0.15 0.07 -0.22 0.71 -1.11 0.00 0.00 175.55 175.14 1qyg s TYR 91 N 0.13 2.44 -0.04 2.71 2.02 0.66 -0.97 117.35 124.30 1qyg s TYR 91 Ca -0.00 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 1qyg s TYR 91 Cb -0.13 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1qyg s TYR 91 CO 0.03 0.05 0.55 0.00 -1.57 0.00 0.00 175.55 174.61 1qyg s THR 93 N 0.05 0.09 0.10 0.00 -1.32 -0.58 -0.04 115.64 113.94 1qyg s THR 93 Ca 0.29 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 60.06 1qyg s THR 93 Cb -0.17 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1qyg s THR 93 CO 0.15 -0.41 -0.09 -0.94 -2.21 0.00 0.00 174.62 171.11 1qyg s SER 94 N -1.99 1.38 -0.40 8.08 1.04 -0.90 0.23 113.70 121.15 1qyg s SER 94 Ca -0.06 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1qyg s SER 94 Cb -0.02 0.03 0.11 0.00 0.10 0.00 0.00 66.02 66.24 1qyg s SER 94 CO -0.03 -0.31 0.18 -0.69 0.98 0.00 0.00 173.24 173.37 1qyg s VAL 95 N -2.69 3.10 0.17 5.02 1.01 -0.32 -1.48 120.40 125.21 1qyg s VAL 95 Ca 0.07 -2.11 0.24 0.00 0.00 0.00 0.00 61.98 60.17 1qyg s VAL 95 Cb -0.01 -3.15 0.22 0.00 0.00 0.00 0.00 36.38 33.44 1qyg s VAL 95 CO -0.01 -0.68 1.84 1.55 0.00 0.00 0.00 175.10 177.81 1qyg h PRO 96 N 7.97 0.00 -3.05 2.72 0.13 -1.82 -1.44 132.00 136.51 1qyg h PRO 96 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qyg h PRO 96 Cb 1.04 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.07 1qyg h PRO 96 CO 0.67 0.24 0.18 -1.14 -0.23 0.00 0.00 178.00 177.72 1qyg s GLN 97 N -3.71 1.38 0.20 0.86 2.00 -1.26 -4.10 119.66 115.03 1qyg s GLN 97 Ca 0.00 -0.62 -0.33 0.00 -2.00 0.00 0.00 55.36 52.41 1qyg s GLN 97 Cb 0.11 0.58 -0.13 0.00 0.80 0.00 0.00 33.01 34.37 1qyg s GLN 97 CO 0.64 -0.61 1.62 -0.11 -0.50 0.00 0.00 175.29 176.33 1qyg n LEU 98 N -0.38 3.55 0.00 3.68 7.94 -1.26 -2.47 117.00 128.05 1qyg n LEU 98 Ca -0.14 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1qyg n LEU 98 Cb 0.64 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1qyg n LEU 98 CO 0.13 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 1qyg n GLY 99 N 3.44 0.68 0.05 -3.96 0.00 -1.26 -4.91 105.19 99.24 1qyg n GLY 99 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1qyg n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qyg n ARG 100 N -2.63 0.18 -0.37 1.61 5.12 -1.03 -5.06 116.66 114.48 1qyg n ARG 100 Ca 0.00 0.09 0.05 0.00 -1.93 0.00 0.00 57.85 56.06 1qyg n ARG 100 Cb 0.00 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 29.63 1qyg n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qyg n GLY 100 N 1.39 -1.73 3.56 -0.13 0.00 -1.26 -4.24 105.19 102.77 1qyg n GLY 100 Ca 0.05 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1qyg n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qyg s PHE 100 N -0.76 2.45 0.06 1.61 0.08 -1.26 -4.03 117.98 116.12 1qyg s PHE 100 Ca 0.00 -0.65 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 1qyg s PHE 100 Cb 0.00 -4.65 -0.27 0.00 -0.57 0.00 0.00 43.02 37.53 1qyg s PHE 100 CO 0.00 -1.94 1.08 0.00 -0.10 0.00 0.00 175.22 174.26 1qyg h ALA 101 N 9.96 0.19 -4.16 5.36 0.00 -1.44 -3.45 119.26 125.71 1qyg h ALA 101 Ca 0.14 -0.96 -0.64 0.00 0.00 0.00 0.00 54.91 53.46 1qyg h ALA 101 Cb 1.01 0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.56 1qyg h ALA 101 CO 1.40 1.06 -0.87 0.71 0.00 0.00 0.00 179.25 181.56 1qyg s TYR 102 N -2.65 2.09 0.05 0.00 2.02 -1.23 -5.02 117.35 112.61 1qyg s TYR 102 Ca -0.04 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1qyg s TYR 102 Cb 0.07 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1qyg s TYR 102 CO 0.87 -0.14 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.98 1qyg s TRP 103 N -0.25 1.32 0.68 2.71 0.52 -1.26 -2.13 118.94 120.53 1qyg s TRP 103 Ca 0.01 -0.38 -0.11 0.00 0.02 0.00 0.00 56.10 55.63 1qyg s TRP 103 Cb -0.11 -0.77 0.16 0.00 -1.15 0.00 0.00 33.47 31.60 1qyg s TRP 103 CO 0.02 0.06 0.76 0.41 0.02 0.00 0.00 176.95 178.21 1qyg n GLY 104 N 1.69 -1.95 0.17 0.98 0.00 0.94 -4.54 105.19 102.48 1qyg n GLY 104 Ca -0.19 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1qyg n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qyg h GLN 105 N 0.00 0.00 0.00 1.61 1.08 -1.90 -3.46 115.11 112.44 1qyg h GLN 105 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1qyg h GLN 105 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1qyg h GLN 105 CO 0.18 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.47 1qyg n GLY 106 N 1.12 1.93 2.81 3.46 0.00 -1.26 -5.05 105.19 108.20 1qyg n GLY 106 Ca 0.04 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 1qyg n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qyg s THR 107 N -1.94 0.27 -0.04 2.61 -1.32 -0.14 -4.86 115.64 110.22 1qyg s THR 107 Ca 0.00 0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.26 1qyg s THR 107 Cb 0.00 -0.38 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1qyg s THR 107 CO 0.00 0.19 1.00 -0.22 -2.21 0.00 0.00 174.62 173.38 1qyg s LEU 108 N 1.27 4.32 -0.18 9.08 2.96 -1.26 -0.47 118.68 134.40 1qyg s LEU 108 Ca -0.06 1.63 -0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1qyg s LEU 108 Cb -0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1qyg s LEU 108 CO -0.02 -0.34 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.91 1qyg s VAL 109 N 1.40 3.38 -0.20 1.68 1.01 0.71 0.05 120.40 128.42 1qyg s VAL 109 Ca 0.51 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1qyg s VAL 109 Cb -0.20 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1qyg s VAL 109 CO 0.24 0.47 -0.17 -0.89 0.00 0.00 0.00 175.10 174.75 1qyg s THR 110 N 0.92 2.11 -0.48 3.92 2.01 -0.65 -1.34 115.64 122.12 1qyg s THR 110 Ca -0.01 -1.12 -0.15 0.00 0.31 0.00 0.00 61.69 60.72 1qyg s THR 110 Cb -0.15 -1.98 0.08 0.00 0.01 0.00 0.00 72.50 70.46 1qyg s THR 110 CO 0.01 0.38 0.39 -0.69 -0.69 0.00 0.00 174.62 174.03 1qyg s VAL 111 N 1.24 5.10 -0.16 3.82 1.01 -1.26 -0.71 120.40 129.44 1qyg s VAL 111 Ca 0.01 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 1qyg s VAL 111 Cb -0.15 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.20 1qyg s VAL 111 CO -0.11 -0.62 0.60 -0.55 0.00 0.00 0.00 175.10 174.43 1qyg s SER 112 N 2.69 -0.60 0.00 3.32 0.15 -0.53 -4.69 113.70 114.04 1qyg s SER 112 Ca 0.04 0.98 0.29 0.00 0.70 0.00 0.00 55.95 57.96 1qyg s SER 112 Cb -0.25 0.97 1.32 0.00 -1.71 0.00 0.00 66.02 66.35 1qyg s SER 112 CO 0.05 -0.35 1.92 0.00 1.20 0.00 0.00 173.24 176.07 1qyg n ALA 113 N 2.09 2.69 -1.34 5.45 0.00 -1.26 -4.11 120.51 124.03 1qyg n ALA 113 Ca -0.16 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.73 1qyg n ALA 113 Cb 0.56 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.71 1qyg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qyg s ALA 114 N -2.48 2.31 0.32 0.00 0.00 -1.26 -5.01 121.76 115.64 1qyg s ALA 114 Ca 0.29 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1qyg s ALA 114 Cb 0.20 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1qyg s ALA 114 CO 0.47 -1.61 0.32 -1.54 0.00 0.00 0.00 175.76 173.40 1qyg s SER 115 N -3.03 5.49 0.24 0.00 1.04 -1.26 -5.03 113.70 111.15 1qyg s SER 115 Ca 0.64 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 1qyg s SER 115 Cb -0.19 -1.10 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 1qyg s SER 115 CO 0.50 -0.33 1.51 -0.89 0.98 0.00 0.00 173.24 175.01 1qyg s THR 116 N -2.25 2.49 -0.02 2.02 2.01 -1.26 -4.69 115.64 113.94 1qyg s THR 116 Ca 0.41 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.80 1qyg s THR 116 Cb -0.07 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.21 1qyg s THR 116 CO 0.27 0.06 0.04 -0.89 -0.69 0.00 0.00 174.62 173.41 1qyg s THR 117 N 0.26 -0.04 0.75 -0.82 2.01 0.11 -4.93 115.64 112.98 1qyg s THR 117 Ca 0.63 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 1qyg s THR 117 Cb -0.44 -0.08 0.04 0.00 0.01 0.00 0.00 72.50 72.03 1qyg s THR 117 CO 0.42 0.06 1.08 -2.16 -0.69 0.00 0.00 174.62 173.33 1qyg s PRO 118 N 0.77 2.43 0.39 4.92 0.04 -1.26 -1.03 135.00 141.26 1qyg s PRO 118 Ca -0.06 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.99 1qyg s PRO 118 Cb -0.09 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1qyg s PRO 118 CO -0.02 -1.49 0.69 -1.25 0.04 0.00 0.00 177.00 174.96 1qyg s PRO 119 N -4.96 3.63 0.05 0.56 0.04 -1.26 -4.15 135.00 128.91 1qyg s PRO 119 Ca 0.60 0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1qyg s PRO 119 Cb -0.16 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1qyg s PRO 119 CO 0.56 0.01 0.03 -1.12 0.04 0.00 0.00 177.00 176.52 1qyg s SER 120 N -3.56 5.28 -0.10 6.66 0.01 -0.31 -4.94 113.70 116.74 1qyg s SER 120 Ca 0.47 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.70 1qyg s SER 120 Cb -0.10 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.77 1qyg s SER 120 CO 0.36 0.21 -0.13 -0.69 0.41 0.00 0.00 173.24 173.40 1qyg s VAL 121 N -1.26 1.35 -0.13 3.43 1.01 -1.26 -0.84 120.40 122.69 1qyg s VAL 121 Ca 0.25 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1qyg s VAL 121 Cb -0.12 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1qyg s VAL 121 CO 0.17 0.41 -0.14 -0.31 0.00 0.00 0.00 175.10 175.24 1qyg s TYR 122 N 1.06 2.02 0.46 5.22 2.02 -0.14 -4.98 117.35 123.01 1qyg s TYR 122 Ca -0.06 -1.07 -0.24 0.00 -0.37 0.00 0.00 57.07 55.33 1qyg s TYR 122 Cb -0.15 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.84 1qyg s TYR 122 CO -0.02 -0.60 1.28 -1.25 -1.57 0.00 0.00 175.55 173.39 1qyg s PRO 123 N 1.38 3.69 -0.30 -1.71 0.04 -1.26 -0.35 135.00 136.49 1qyg s PRO 123 Ca 0.02 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1qyg s PRO 123 Cb -0.13 -2.52 0.07 0.00 0.04 0.00 0.00 34.50 31.96 1qyg s PRO 123 CO -0.08 -0.69 -0.03 -0.51 0.04 0.00 0.00 177.00 175.73 1qyg s LEU 124 N -2.89 3.99 0.08 -3.56 1.43 0.16 -4.86 118.68 113.02 1qyg s LEU 124 Ca 0.63 -1.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1qyg s LEU 124 Cb -0.36 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1qyg s LEU 124 CO 0.44 -0.27 -0.12 0.00 0.23 0.00 0.00 176.35 176.63 1qyg s ALA 125 N 1.08 2.87 0.45 4.21 0.00 -1.26 -1.09 121.76 128.03 1qyg s ALA 125 Ca -0.02 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 1qyg s ALA 125 Cb -0.20 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.95 1qyg s ALA 125 CO -0.05 0.62 1.03 -2.30 0.00 0.00 0.00 175.76 175.06 1qyg n PRO 126 N 1.02 1.35 0.02 0.00 -0.02 -1.26 -4.86 135.00 131.24 1qyg n PRO 126 Ca -0.14 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 1qyg n PRO 126 Cb 0.52 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1qyg n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qyg h GLY 127 N 1.42 0.65 0.00 -1.23 0.00 -1.97 -3.40 103.07 98.55 1qyg h GLY 127 Ca -0.46 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 45.77 1qyg h GLY 127 CO 0.56 0.98 0.00 -1.14 0.00 0.00 0.00 176.54 176.94 1qyg n SER 128 N -4.03 0.00 -4.78 0.19 3.41 -1.26 -4.91 113.62 102.24 1qyg n SER 128 Ca -0.10 -0.99 -0.38 0.00 -0.26 0.00 0.00 58.87 57.13 1qyg n SER 128 Cb 0.77 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 1qyg n SER 128 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qyg s GLY 129 N -2.09 2.86 -0.15 5.00 0.00 -1.26 -5.02 107.32 106.66 1qyg s GLY 129 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 44.72 44.83 1qyg s GLY 129 CO 0.00 0.86 0.94 -0.32 0.00 0.00 0.00 173.10 174.58 1qyg s GLY 130 N -1.35 2.15 0.00 0.20 0.00 -1.26 -5.02 107.32 102.05 1qyg s GLY 130 Ca 0.41 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1qyg s GLY 130 CO 0.25 1.86 0.00 0.00 0.00 0.00 0.00 173.10 175.21 1qyg n ALA 131 N 5.30 0.00 -0.18 3.20 0.00 -1.26 -4.98 120.51 122.59 1qyg n ALA 131 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1qyg n ALA 131 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1qyg n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qyg n GLY 135 N 0.00 -1.92 0.35 0.00 0.00 -1.26 -5.15 105.19 97.21 1qyg n GLY 135 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.58 1qyg n GLY 135 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qyg h SER 136 N 0.00 0.81 -4.00 1.61 0.87 -1.97 -3.41 113.55 107.45 1qyg h SER 136 Ca 0.00 -0.01 -0.65 0.00 -1.23 0.00 0.00 61.79 59.90 1qyg h SER 136 Cb 0.00 -0.19 -0.22 0.00 -0.44 0.00 0.00 62.40 61.55 1qyg h SER 136 CO 0.00 0.56 -0.86 -0.04 -0.53 0.00 0.00 176.83 175.96 1qyg s MET 137 N -5.80 1.34 0.02 2.24 1.00 -1.26 -0.78 119.30 116.05 1qyg s MET 137 Ca -0.11 -1.29 0.06 0.00 0.00 0.00 0.00 55.69 54.36 1qyg s MET 137 Cb 0.19 -1.76 -0.02 0.00 0.00 0.00 0.00 34.83 33.24 1qyg s MET 137 CO 0.78 0.42 -0.17 0.08 0.00 0.00 0.00 175.02 176.12 1qyg s VAL 138 N -1.07 1.38 -0.13 -6.03 1.01 0.89 -4.76 120.40 111.68 1qyg s VAL 138 Ca 0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1qyg s VAL 138 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1qyg s VAL 138 CO 0.05 0.23 -0.03 -0.89 0.00 0.00 0.00 175.10 174.47 1qyg s THR 139 N -0.63 4.02 0.42 3.92 2.01 -1.26 -1.95 115.64 122.16 1qyg s THR 139 Ca 0.06 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1qyg s THR 139 Cb -0.08 -2.73 -0.07 0.00 0.01 0.00 0.00 72.50 69.63 1qyg s THR 139 CO 0.01 0.53 0.04 -0.76 -0.69 0.00 0.00 174.62 173.75 1qyg s LEU 140 N -0.06 2.86 0.30 4.42 1.43 -0.26 -4.51 118.68 122.85 1qyg s LEU 140 Ca 0.02 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 51.60 1qyg s LEU 140 Cb -0.13 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1qyg s LEU 140 CO 0.02 -0.51 0.67 -0.83 0.23 0.00 0.00 176.35 175.93 1qyg s GLY 141 N -3.77 0.23 -0.03 -3.19 0.00 -0.25 -1.18 107.32 99.14 1qyg s GLY 141 Ca 0.33 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.47 1qyg s GLY 141 CO 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 173.10 172.92 1qyg s LEU 143 N 0.61 4.17 -0.23 0.00 2.96 0.52 -1.38 118.68 125.34 1qyg s LEU 143 Ca -0.08 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1qyg s LEU 143 Cb -0.11 -2.42 0.05 0.00 0.50 0.00 0.00 46.19 44.20 1qyg s LEU 143 CO -0.00 -0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.20 1qyg s VAL 144 N 1.05 2.04 0.05 1.68 1.01 0.11 -0.96 120.40 125.37 1qyg s VAL 144 Ca 0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1qyg s VAL 144 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1qyg s VAL 144 CO 0.06 0.15 -0.03 -1.59 0.00 0.00 0.00 175.10 173.69 1qyg s LYS 145 N 1.20 0.56 0.00 2.72 -2.85 -0.02 -0.26 119.74 121.09 1qyg s LYS 145 Ca -0.04 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1qyg s LYS 145 Cb -0.17 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1qyg s LYS 145 CO -0.08 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.69 1qyg n GLY 146 N 0.44 0.49 3.80 0.59 0.00 -0.04 -1.16 105.19 109.30 1qyg n GLY 146 Ca -0.16 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1qyg n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qyg s TYR 147 N -2.00 2.85 -0.27 1.61 1.13 -1.21 -4.53 117.35 114.92 1qyg s TYR 147 Ca 0.00 -0.30 -0.25 0.00 -1.41 0.00 0.00 57.07 55.11 1qyg s TYR 147 Cb 0.00 -1.66 0.09 0.00 -1.10 0.00 0.00 41.96 39.29 1qyg s TYR 147 CO 0.00 0.30 0.85 0.12 -2.51 0.00 0.00 175.55 174.31 1qyg s PHE 148 N -2.33 -0.66 0.05 -3.49 5.36 -0.20 -1.65 117.98 115.06 1qyg s PHE 148 Ca 0.38 1.62 -0.00 0.00 -0.96 0.00 0.00 56.93 57.97 1qyg s PHE 148 Cb -0.05 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1qyg s PHE 148 CO 0.25 -0.32 0.07 -0.35 -1.46 0.00 0.00 175.22 173.41 1qyg n PRO 149 N 2.50 0.34 -1.71 10.12 -0.04 -1.26 0.07 135.00 145.03 1qyg n PRO 149 Ca -0.13 -0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 62.87 1qyg n PRO 149 Cb 0.55 -0.06 0.06 0.00 -0.04 0.00 0.00 33.50 34.02 1qyg n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1qyg s GLU 150 N -2.77 2.64 0.41 0.54 0.41 -1.26 -4.79 118.70 113.88 1qyg s GLU 150 Ca 0.04 0.62 0.08 0.00 -0.41 0.00 0.00 54.97 55.30 1qyg s GLU 150 Cb -0.00 -1.98 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 1qyg s GLU 150 CO 0.03 -1.23 0.43 -1.25 -0.49 0.00 0.00 175.26 172.75 1qyg s PRO 151 N -5.22 2.63 0.17 0.39 0.04 -1.26 -4.96 135.00 126.79 1qyg s PRO 151 Ca 0.59 -1.43 0.10 0.00 0.04 0.00 0.00 61.00 60.29 1qyg s PRO 151 Cb -0.13 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1qyg s PRO 151 CO 0.53 -0.19 -0.21 0.14 0.04 0.00 0.00 177.00 177.31 1qyg s VAL 152 N -2.43 2.02 -0.09 -0.36 -7.23 -1.26 -4.38 120.40 106.67 1qyg s VAL 152 Ca 0.50 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1qyg s VAL 152 Cb -0.05 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1qyg s VAL 152 CO 0.29 -0.20 -0.08 0.42 -0.31 0.00 0.00 175.10 175.22 1qyg s THR 153 N -1.77 3.55 -0.05 5.32 -4.23 0.04 -4.97 115.64 113.53 1qyg s THR 153 Ca 0.16 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1qyg s THR 153 Cb -0.07 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1qyg s THR 153 CO 0.07 0.57 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.88 1qyg s VAL 154 N -0.41 1.35 0.30 2.29 1.01 -1.26 -1.07 120.40 122.61 1qyg s VAL 154 Ca 0.06 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1qyg s VAL 154 Cb -0.12 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1qyg s VAL 154 CO 0.02 0.40 0.07 0.42 0.00 0.00 0.00 175.10 176.01 1qyg s THR 156 N 0.26 0.95 -0.10 3.92 -4.23 -0.13 -4.98 115.64 111.33 1qyg s THR 156 Ca -0.08 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 1qyg s THR 156 Cb -0.13 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 70.99 1qyg s THR 156 CO 0.03 0.00 -0.13 0.26 -0.54 0.00 0.00 174.62 174.24 1qyg s TRP 157 N -3.47 1.79 -1.44 3.99 0.52 -1.26 -0.20 118.94 118.88 1qyg s TRP 157 Ca 0.37 -0.82 -0.08 0.00 0.02 0.00 0.00 56.10 55.59 1qyg s TRP 157 Cb 0.08 -1.32 0.05 0.00 -1.15 0.00 0.00 33.47 31.13 1qyg s TRP 157 CO 0.15 -0.44 0.87 0.09 0.02 0.00 0.00 176.95 177.63 1qyg n ASN 162 N 4.25 -3.36 -2.13 2.95 4.13 -0.07 -0.58 115.26 120.45 1qyg n ASN 162 Ca -0.19 -0.79 -0.18 0.00 1.68 0.00 0.00 54.58 55.10 1qyg n ASN 162 Cb 0.51 -3.97 -0.03 0.00 -1.54 0.00 0.00 39.78 34.75 1qyg n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qyg n SER 163 N -2.93 -5.00 0.00 6.41 7.64 -1.26 -1.16 113.62 117.32 1qyg n SER 163 Ca -0.10 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1qyg n SER 163 Cb 0.59 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1qyg n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qyg n GLY 164 N -0.74 2.12 0.23 0.23 0.00 0.25 -4.93 105.19 102.35 1qyg n GLY 164 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1qyg n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qyg h ALA 165 N 0.00 1.45 -2.91 4.61 0.00 -1.05 -3.36 119.26 118.00 1qyg h ALA 165 Ca 0.00 -0.24 -0.67 0.00 0.00 0.00 0.00 54.91 54.01 1qyg h ALA 165 Cb 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.48 1qyg h ALA 165 CO 0.00 0.39 -0.58 -0.51 0.00 0.00 0.00 179.25 178.55 1qyg s LEU 166 N -8.67 3.91 0.00 0.00 1.43 -1.00 -4.86 118.68 109.49 1qyg s LEU 166 Ca -0.05 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1qyg s LEU 166 Cb 0.15 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1qyg s LEU 166 CO 0.74 -0.14 0.00 -1.54 0.23 0.00 0.00 176.35 175.63 1qyg n SER 167 N 4.96 0.36 0.14 2.29 3.41 -1.26 -4.15 113.62 119.37 1qyg n SER 167 Ca -0.14 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.50 1qyg n SER 167 Cb 0.50 0.04 0.43 0.00 -0.26 0.00 0.00 64.21 64.92 1qyg n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qyg h SER 168 N 0.00 0.17 -0.68 4.04 4.64 -1.93 -2.77 113.55 117.03 1qyg h SER 168 Ca 0.00 -0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.93 1qyg h SER 168 Cb 0.06 -0.05 -0.21 0.00 -0.31 0.00 0.00 62.40 61.89 1qyg h SER 168 CO 0.00 0.32 0.28 0.61 -0.87 0.00 0.00 176.83 177.17 1qyg n GLY 169 N -0.96 4.76 3.68 -0.77 0.00 -1.26 -4.98 105.19 105.66 1qyg n GLY 169 Ca -0.01 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 1qyg n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qyg s VAL 171 N -3.33 4.28 -0.16 1.61 1.01 -1.05 -0.88 120.40 121.90 1qyg s VAL 171 Ca 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1qyg s VAL 171 Cb 0.44 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1qyg s VAL 171 CO 0.05 0.57 -0.03 -1.00 0.00 0.00 0.00 175.10 174.69 1qyg s HIS 172 N -0.92 1.42 -0.28 5.22 3.76 -0.58 -4.99 115.29 118.92 1qyg s HIS 172 Ca 0.14 -0.90 -0.08 0.00 -0.15 0.00 0.00 55.06 54.07 1qyg s HIS 172 Cb -0.11 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 1qyg s HIS 172 CO 0.04 -0.57 0.10 0.99 -0.85 0.00 0.00 174.74 174.45 1qyg s THR 173 N 1.73 4.39 0.46 1.30 2.01 -1.26 -0.31 115.64 123.95 1qyg s THR 173 Ca 0.01 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1qyg s THR 173 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1qyg s THR 173 CO -0.07 0.21 0.76 -0.36 -0.69 0.00 0.00 174.62 174.46 1qyg s PHE 174 N 1.60 3.55 0.53 4.92 0.40 -0.56 -5.01 117.98 123.41 1qyg s PHE 174 Ca 0.05 0.76 -0.22 0.00 -0.60 0.00 0.00 56.93 56.92 1qyg s PHE 174 Cb -0.16 -2.26 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 1qyg s PHE 174 CO 0.05 -0.23 1.37 -2.14 0.70 0.00 0.00 175.22 174.97 1qyg s PRO 175 N -4.67 3.24 0.69 0.24 0.02 -1.26 -4.57 135.00 128.69 1qyg s PRO 175 Ca 0.47 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 1qyg s PRO 175 Cb -0.10 -2.33 0.01 0.00 0.02 0.00 0.00 34.50 32.10 1qyg s PRO 175 CO 0.44 -1.12 1.07 0.00 -0.33 0.00 0.00 177.00 177.05 1qyg s ALA 176 N -1.29 2.78 -0.03 -1.55 0.00 -1.26 -4.74 121.76 115.67 1qyg s ALA 176 Ca 0.70 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.62 1qyg s ALA 176 Cb -0.41 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1qyg s ALA 176 CO 0.49 -1.13 -0.25 0.08 0.00 0.00 0.00 175.76 174.95 1qyg s VAL 177 N -3.17 1.95 -0.12 0.00 1.01 -0.28 -4.93 120.40 114.87 1qyg s VAL 177 Ca 0.58 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1qyg s VAL 177 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1qyg s VAL 177 CO 0.54 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.94 1qyg s LEU 178 N -0.50 3.33 0.00 3.92 2.96 -1.26 -1.21 118.68 125.92 1qyg s LEU 178 Ca 0.07 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1qyg s LEU 178 Cb -0.10 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1qyg s LEU 178 CO -0.00 0.27 0.00 0.00 -1.32 0.00 0.00 176.35 175.30 1qyg n GLN 179 N 2.86 0.00 -0.38 1.98 -0.00 -0.72 -5.00 117.38 116.11 1qyg n GLN 179 Ca -0.18 0.00 0.31 0.00 -0.00 0.00 0.00 57.00 57.14 1qyg n GLN 179 Cb 0.53 0.00 0.62 0.00 -0.00 0.00 0.00 30.24 31.39 1qyg n GLN 179 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1qyg h SER 180 N 0.00 0.27 -0.22 2.61 4.64 -2.03 0.32 113.55 119.15 1qyg h SER 180 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1qyg h SER 180 Cb 0.00 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1qyg h SER 180 CO 0.00 -0.02 0.00 0.47 -0.87 0.00 0.00 176.83 176.41 1qyg n ASP 181 N -4.53 1.27 0.00 4.97 8.00 -1.26 -5.02 116.55 119.99 1qyg n ASP 181 Ca 0.30 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1qyg n ASP 181 Cb 1.19 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 1qyg n ASP 181 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qyg n LEU 184 N 0.16 0.00 -4.80 0.64 4.77 0.11 -3.42 117.00 114.47 1qyg n LEU 184 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 1qyg n LEU 184 Cb 0.21 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1qyg n LEU 184 CO 0.07 0.00 0.60 -0.31 -1.33 0.00 0.00 177.39 176.42 1qyg s TYR 185 N 0.00 3.57 -0.04 -1.77 2.02 -0.66 -1.76 117.35 118.72 1qyg s TYR 185 Ca 0.00 1.64 -0.01 0.00 -0.37 0.00 0.00 57.07 58.33 1qyg s TYR 185 Cb 0.00 -2.83 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1qyg s TYR 185 CO 0.00 0.14 0.03 0.99 -1.57 0.00 0.00 175.55 175.14 1qyg s THR 186 N -1.77 0.03 0.04 -0.71 2.01 -0.35 -0.86 115.64 114.03 1qyg s THR 186 Ca 0.52 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1qyg s THR 186 Cb -0.15 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1qyg s THR 186 CO 0.20 0.16 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.00 1qyg s LEU 187 N 1.58 2.26 0.12 4.42 0.20 0.64 -1.12 118.68 126.77 1qyg s LEU 187 Ca -0.02 -0.55 0.10 0.00 0.69 0.00 0.00 54.13 54.35 1qyg s LEU 187 Cb -0.13 -0.10 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 1qyg s LEU 187 CO -0.03 -0.24 -0.26 -0.44 -0.29 0.00 0.00 176.35 175.09 1qyg s SER 188 N -1.60 3.18 -0.04 3.68 0.01 -1.26 0.03 113.70 117.71 1qyg s SER 188 Ca -0.11 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.44 1qyg s SER 188 Cb -0.09 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1qyg s SER 188 CO -0.00 0.17 -0.05 -0.55 0.41 0.00 0.00 173.24 173.22 1qyg s SER 189 N -1.96 0.90 0.21 2.44 0.15 -0.48 -1.50 113.70 113.45 1qyg s SER 189 Ca 0.13 -0.13 0.10 0.00 0.70 0.00 0.00 55.95 56.75 1qyg s SER 189 Cb -0.10 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 1qyg s SER 189 CO 0.05 -0.02 -0.16 -0.94 1.20 0.00 0.00 173.24 173.38 1qyg s SER 190 N 0.68 3.88 -0.02 5.45 1.04 0.57 -0.79 113.70 124.52 1qyg s SER 190 Ca -0.09 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 1qyg s SER 190 Cb -0.12 -0.50 0.02 0.00 0.10 0.00 0.00 66.02 65.51 1qyg s SER 190 CO 0.00 0.09 0.04 0.54 0.98 0.00 0.00 173.24 174.89 1qyg s VAL 191 N -1.87 -0.03 -0.14 5.02 0.11 -0.33 -1.53 120.40 121.63 1qyg s VAL 191 Ca 0.25 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 1qyg s VAL 191 Cb -0.08 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1qyg s VAL 191 CO 0.14 0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.87 1qyg s THR 192 N 0.52 2.37 0.16 5.04 2.01 -0.06 -1.10 115.64 124.58 1qyg s THR 192 Ca -0.04 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1qyg s THR 192 Cb -0.06 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1qyg s THR 192 CO -0.02 0.54 0.05 0.68 -0.69 0.00 0.00 174.62 175.18 1qyg s VAL 193 N 0.71 0.29 0.71 3.82 -7.23 -0.82 -4.49 120.40 113.40 1qyg s VAL 193 Ca -0.08 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 1qyg s VAL 193 Cb -0.16 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1qyg s VAL 193 CO 0.01 -0.37 1.25 -2.84 -0.31 0.00 0.00 175.10 172.83 1qyg s PRO 194 N -4.02 2.20 0.33 4.82 0.02 -1.26 -0.08 135.00 137.00 1qyg s PRO 194 Ca 0.27 1.90 0.25 0.00 0.02 0.00 0.00 61.00 63.43 1qyg s PRO 194 Cb 0.07 -1.82 1.16 0.00 0.02 0.00 0.00 34.50 33.93 1qyg s PRO 194 CO 0.05 -1.82 1.75 0.66 -0.33 0.00 0.00 177.00 177.30 1qyg h SER 195 N -0.06 0.00 0.87 2.53 4.64 -1.19 -0.93 113.55 119.41 1qyg h SER 195 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qyg h SER 195 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1qyg h SER 195 CO 0.50 0.00 -0.25 -1.54 -0.87 0.00 0.00 176.83 174.67 1qyg n SER 196 N -2.35 0.36 -0.11 4.97 3.41 -1.26 -3.94 113.62 114.69 1qyg n SER 196 Ca 0.00 0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.59 1qyg n SER 196 Cb 0.15 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 1qyg n SER 196 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qyg n THR 198 N -1.67 1.53 -4.62 6.66 -1.04 -0.36 -4.76 114.28 110.01 1qyg n THR 198 Ca 0.06 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 61.63 1qyg n THR 198 Cb 0.36 -2.02 -0.12 0.00 -1.82 0.00 0.00 70.33 66.74 1qyg n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1qyg s TRP 199 N -2.41 2.78 -2.14 -1.42 -0.00 -1.16 0.27 118.94 114.86 1qyg s TRP 199 Ca -0.31 -0.10 0.20 0.00 -0.00 0.00 0.00 56.10 55.88 1qyg s TRP 199 Cb 0.08 -1.60 0.91 0.00 -0.00 0.00 0.00 33.47 32.87 1qyg s TRP 199 CO 0.54 0.30 1.62 -0.35 -0.00 0.00 0.00 176.95 179.06 1qyg n PRO 200 N 1.81 1.38 -0.19 5.86 -0.04 -1.26 -4.59 135.00 137.96 1qyg n PRO 200 Ca -0.16 -0.58 -0.02 0.00 -0.04 0.00 0.00 63.50 62.70 1qyg n PRO 200 Cb 0.52 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.72 1qyg n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1qyg h SER 202 N 1.16 0.36 -2.89 3.54 0.02 -1.85 -3.42 113.55 110.48 1qyg h SER 202 Ca 0.00 0.05 -0.63 0.00 -0.84 0.00 0.00 61.79 60.37 1qyg h SER 202 Cb 0.25 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1qyg h SER 202 CO 0.00 0.23 -0.45 -1.10 -1.14 0.00 0.00 176.83 174.37 1qyg s GLN 203 N -6.11 3.49 0.13 3.45 -0.21 0.14 -5.07 119.66 115.49 1qyg s GLN 203 Ca -0.13 -0.28 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 1qyg s GLN 203 Cb 0.15 -3.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.02 1qyg s GLN 203 CO 0.74 0.63 1.48 0.99 -2.12 0.00 0.00 175.29 177.02 1qyg s THR 204 N -1.40 2.99 -0.17 -0.19 2.01 -1.26 -4.59 115.64 113.03 1qyg s THR 204 Ca 0.31 0.70 0.01 0.00 0.31 0.00 0.00 61.69 63.01 1qyg s THR 204 Cb -0.13 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1qyg s THR 204 CO 0.21 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.37 1qyg s VAL 205 N 1.19 1.63 0.01 3.82 1.01 -1.26 -4.98 120.40 121.82 1qyg s VAL 205 Ca 0.67 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1qyg s VAL 205 Cb -0.40 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1qyg s VAL 205 CO 0.31 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.68 1qyg s THR 206 N 1.45 1.75 -0.11 3.92 2.01 -1.26 -0.67 115.64 122.72 1qyg s THR 206 Ca 0.03 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 1qyg s THR 206 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1qyg s THR 206 CO -0.10 0.39 0.09 0.00 -0.69 0.00 0.00 174.62 174.30 1qyg s ASN 209 N -0.87 4.45 -0.09 0.00 -0.87 0.72 -1.59 114.94 116.69 1qyg s ASN 209 Ca 0.14 -0.33 0.02 0.00 -1.57 0.00 0.00 52.86 51.12 1qyg s ASN 209 Cb -0.12 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.25 39.34 1qyg s ASN 209 CO 0.03 0.02 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.72 1qyg s VAL 210 N 1.28 2.80 0.08 1.60 1.01 0.11 -0.95 120.40 126.32 1qyg s VAL 210 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1qyg s VAL 210 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1qyg s VAL 210 CO -0.01 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.42 1qyg s ALA 211 N -0.02 1.91 -0.40 5.51 0.00 -0.24 -0.72 121.76 127.81 1qyg s ALA 211 Ca -0.05 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1qyg s ALA 211 Cb -0.14 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.79 1qyg s ALA 211 CO 0.04 0.41 0.21 -1.58 0.00 0.00 0.00 175.76 174.85 1qyg s HIS 212 N -0.97 1.52 0.43 0.00 2.46 -0.17 -0.78 115.29 117.78 1qyg s HIS 212 Ca 0.08 -2.07 0.16 0.00 0.47 0.00 0.00 55.06 53.70 1qyg s HIS 212 Cb -0.10 -1.54 1.05 0.00 -0.13 0.00 0.00 32.58 31.87 1qyg s HIS 212 CO 0.03 -0.81 1.92 -1.35 -2.47 0.00 0.00 174.74 172.06 1qyg h PRO 213 N 6.99 0.40 -0.94 2.88 0.11 -1.81 -0.87 132.00 138.76 1qyg h PRO 213 Ca -0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.17 1qyg h PRO 213 Cb 0.95 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 1qyg h PRO 213 CO 0.41 0.27 0.59 0.00 -0.21 0.00 0.00 178.00 179.05 1qyg h ALA 214 N 1.64 1.34 -0.18 -0.75 0.00 -1.92 -2.21 119.26 117.19 1qyg h ALA 214 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1qyg h ALA 214 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qyg h ALA 214 CO -0.12 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1qyg n SER 215 N -4.60 2.72 -2.80 0.00 3.41 -0.72 -4.97 113.62 106.66 1qyg n SER 215 Ca 0.15 -1.80 -0.20 0.00 -0.26 0.00 0.00 58.87 56.77 1qyg n SER 215 Cb 0.24 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1qyg n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qyg n SER 216 N 0.98 -5.09 -4.78 4.04 7.64 -0.41 -4.96 113.62 111.04 1qyg n SER 216 Ca 0.12 -0.13 -0.39 0.00 1.01 0.00 0.00 58.87 59.48 1qyg n SER 216 Cb 0.45 -4.20 -0.06 0.00 -1.01 0.00 0.00 64.21 59.40 1qyg n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qyg s THR 217 N -2.97 4.68 -0.03 0.44 2.01 -1.03 -4.96 115.64 113.78 1qyg s THR 217 Ca 0.18 1.41 0.03 0.00 0.31 0.00 0.00 61.69 63.62 1qyg s THR 217 Cb -0.09 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1qyg s THR 217 CO 0.22 0.49 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.44 1qyg s GLN 218 N -0.77 1.01 -0.04 4.92 -0.21 -1.26 -1.00 119.66 122.31 1qyg s GLN 218 Ca 0.33 -0.32 -0.02 0.00 0.02 0.00 0.00 55.36 55.36 1qyg s GLN 218 Cb -0.20 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 32.89 1qyg s GLN 218 CO 0.21 0.12 0.09 0.08 -2.12 0.00 0.00 175.29 173.67 1qyg s VAL 219 N 0.17 -0.02 -0.15 1.09 1.01 0.10 -5.00 120.40 117.60 1qyg s VAL 219 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1qyg s VAL 219 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1qyg s VAL 219 CO 0.01 0.03 -0.18 -1.81 0.00 0.00 0.00 175.10 173.15 1qyg s ASP 220 N 0.49 3.41 -0.10 3.32 1.11 -1.26 0.06 116.67 123.69 1qyg s ASP 220 Ca -0.04 -0.53 0.02 0.00 0.18 0.00 0.00 52.55 52.18 1qyg s ASP 220 Cb -0.05 -1.51 0.01 0.00 1.07 0.00 0.00 42.92 42.44 1qyg s ASP 220 CO -0.02 0.08 -0.18 -0.54 1.18 0.00 0.00 175.17 175.69 1qyg s LYS 221 N 0.84 2.45 0.11 8.23 -0.14 -0.62 -4.97 119.74 125.64 1qyg s LYS 221 Ca -0.05 -0.66 -0.17 0.00 -1.36 0.00 0.00 55.97 53.73 1qyg s LYS 221 Cb -0.15 -1.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.94 1qyg s LYS 221 CO -0.01 0.02 0.56 0.21 -0.76 0.00 0.00 175.35 175.37 1qyg s LYS 222 N 0.74 4.08 -0.31 1.68 2.20 -1.26 -0.97 119.74 125.90 1qyg s LYS 222 Ca -0.11 0.61 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 1qyg s LYS 222 Cb -0.16 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1qyg s LYS 222 CO 0.02 0.55 0.68 0.42 -0.36 0.00 0.00 175.35 176.66 1qyg s ILE 223 N -1.31 4.88 0.04 5.43 -1.09 0.15 -4.83 121.20 124.47 1qyg s ILE 223 Ca 0.34 0.92 0.08 0.00 -2.23 0.00 0.00 60.65 59.76 1qyg s ILE 223 Cb -0.17 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1qyg s ILE 223 CO 0.19 -0.21 -0.24 0.68 -1.23 0.00 0.00 174.94 174.13 1qyg s VAL 226 N 2.75 2.36 0.30 2.92 -7.23 -1.26 -4.66 120.40 115.57 1qyg s VAL 226 Ca 0.27 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 1qyg s VAL 226 Cb -0.15 -1.94 -0.12 0.00 0.56 0.00 0.00 36.38 34.73 1qyg s VAL 226 CO 0.13 0.36 1.43 -2.65 -0.31 0.00 0.00 175.10 174.07 1qyg n PRO 227 N 1.73 2.31 0.00 4.82 -0.02 -1.26 -4.76 135.00 137.82 1qyg n PRO 227 Ca -0.17 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1qyg n PRO 227 Cb 0.52 -2.50 0.33 0.00 -0.02 0.00 0.00 33.50 31.83 1qyg n PRO 227 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84