#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwt s GLN 3 N 0.00 0.42 -0.19 1.45 -2.07 -0.94 -4.97 119.66 113.37 3dwt s GLN 3 Ca 0.00 -0.49 -0.09 0.00 -1.82 0.00 0.00 55.36 52.96 3dwt s GLN 3 Cb 0.00 -0.26 -0.05 0.00 -1.09 0.00 0.00 33.01 31.61 3dwt s GLN 3 CO 0.00 0.06 0.11 -0.51 -1.32 0.00 0.00 175.29 173.63 3dwt s LEU 4 N -0.94 4.13 -0.26 2.60 1.43 -1.26 -0.15 118.68 124.22 3dwt s LEU 4 Ca -0.06 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3dwt s LEU 4 Cb -0.06 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3dwt s LEU 4 CO 0.00 0.20 -0.07 -0.69 0.23 0.00 0.00 176.35 176.02 3dwt s VAL 5 N 0.22 2.59 0.18 -1.59 1.01 0.53 -4.45 120.40 118.90 3dwt s VAL 5 Ca 0.08 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.52 3dwt s VAL 5 Cb -0.11 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 3dwt s VAL 5 CO -0.01 0.05 0.68 -1.61 0.00 0.00 0.00 175.10 174.21 3dwt s GLU 6 N 1.22 4.22 0.27 2.72 2.02 -1.26 0.36 118.70 128.25 3dwt s GLU 6 Ca -0.04 0.81 0.02 0.00 0.02 0.00 0.00 54.97 55.78 3dwt s GLU 6 Cb -0.18 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 3dwt s GLU 6 CO -0.04 0.46 0.06 -1.12 0.02 0.00 0.00 175.26 174.63 3dwt s SER 7 N -1.55 1.65 0.19 -0.19 0.01 0.68 -4.97 113.70 109.52 3dwt s SER 7 Ca 0.40 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.32 3dwt s SER 7 Cb -0.17 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3dwt s SER 7 CO 0.21 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.82 3dwt n GLY 8 N -0.51 -1.76 0.00 3.44 0.00 -1.26 -1.63 105.19 103.47 3dwt n GLY 8 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3dwt n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 9 N -2.87 0.92 0.00 -0.02 0.00 -1.26 -4.83 105.19 97.13 3dwt n GLY 9 Ca -0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3dwt n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 10 N -0.93 0.80 3.44 -0.02 0.00 -0.63 -5.01 105.19 102.84 3dwt n GLY 10 Ca 0.00 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 3dwt n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwt s SER 11 N -4.00 4.48 0.27 1.61 1.04 -1.26 -0.35 113.70 115.49 3dwt s SER 11 Ca 0.00 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.25 3dwt s SER 11 Cb 0.00 -1.72 -0.06 0.00 0.10 0.00 0.00 66.02 64.34 3dwt s SER 11 CO 0.00 0.15 0.01 0.54 0.98 0.00 0.00 173.24 174.92 3dwt s VAL 12 N 0.47 1.19 0.03 5.02 0.11 0.18 -4.93 120.40 122.47 3dwt s VAL 12 Ca -0.06 -2.04 -0.11 0.00 -2.93 0.00 0.00 61.98 56.84 3dwt s VAL 12 Cb -0.15 -2.54 -0.06 0.00 -1.53 0.00 0.00 36.38 32.11 3dwt s VAL 12 CO 0.03 -0.19 0.38 -1.58 -3.33 0.00 0.00 175.10 170.41 3dwt s GLN 13 N -3.85 3.79 0.18 1.54 0.74 -1.26 -2.08 119.66 118.71 3dwt s GLN 13 Ca 0.32 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.66 3dwt s GLN 13 Cb 0.06 -3.10 -0.17 0.00 1.10 0.00 0.00 33.01 30.91 3dwt s GLN 13 CO 0.12 0.63 0.71 0.00 -0.55 0.00 0.00 175.29 176.20 3dwt n ALA 14 N 1.33 -2.46 0.00 1.58 0.00 0.57 -0.92 120.51 120.60 3dwt n ALA 14 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3dwt n ALA 14 Cb 0.53 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3dwt n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwt n GLY 15 N 1.83 2.55 3.91 0.00 0.00 0.06 -4.85 105.19 108.69 3dwt n GLY 15 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3dwt n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwt s GLY 16 N -1.96 1.75 0.46 -0.02 0.00 -0.10 -4.52 107.32 102.93 3dwt s GLY 16 Ca 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.66 3dwt s GLY 16 CO 0.00 -0.38 0.25 -0.45 0.00 0.00 0.00 173.10 172.52 3dwt s SER 17 N -4.80 4.53 -0.27 1.64 0.15 -1.25 -2.17 113.70 111.53 3dwt s SER 17 Ca 0.72 -1.14 -0.26 0.00 0.70 0.00 0.00 55.95 55.97 3dwt s SER 17 Cb -0.05 -0.15 0.16 0.00 -1.71 0.00 0.00 66.02 64.28 3dwt s SER 17 CO 0.53 -0.74 1.25 -0.22 1.20 0.00 0.00 173.24 175.26 3dwt s LEU 18 N -4.04 -0.21 -0.31 3.45 0.20 -0.74 -4.95 118.68 112.08 3dwt s LEU 18 Ca 0.37 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.56 3dwt s LEU 18 Cb 0.01 1.43 0.09 0.00 -0.43 0.00 0.00 46.19 47.30 3dwt s LEU 18 CO 0.21 -0.10 0.06 -0.60 -0.29 0.00 0.00 176.35 175.63 3dwt s ARG 19 N -0.21 1.11 0.43 1.98 3.52 -1.26 -1.53 118.95 122.98 3dwt s ARG 19 Ca 0.05 -1.37 -0.23 0.00 -0.13 0.00 0.00 55.73 54.06 3dwt s ARG 19 Cb -0.04 -2.53 -0.09 0.00 -1.56 0.00 0.00 34.95 30.73 3dwt s ARG 19 CO -0.10 -0.92 1.03 -0.51 -0.81 0.00 0.00 175.30 173.99 3dwt s LEU 20 N 1.32 4.03 0.05 -0.88 1.43 -0.78 -4.39 118.68 119.46 3dwt s LEU 20 Ca 0.08 1.95 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 3dwt s LEU 20 Cb -0.18 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 3dwt s LEU 20 CO -0.16 -0.54 -0.09 -0.55 0.23 0.00 0.00 176.35 175.24 3dwt s SER 21 N -1.78 1.00 -0.01 2.29 0.15 -0.65 -2.08 113.70 112.62 3dwt s SER 21 Ca 0.61 -0.60 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 3dwt s SER 21 Cb -0.18 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3dwt s SER 21 CO 0.23 -0.21 0.06 0.00 1.20 0.00 0.00 173.24 174.52 3dwt s THR 23 N -0.39 0.12 -0.17 0.00 2.01 0.16 -1.18 115.64 116.18 3dwt s THR 23 Ca -0.05 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 3dwt s THR 23 Cb -0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3dwt s THR 23 CO 0.00 0.15 0.44 0.00 -0.69 0.00 0.00 174.62 174.53 3dwt s ALA 24 N 1.27 3.53 0.41 7.40 0.00 -1.10 0.20 121.76 133.47 3dwt s ALA 24 Ca -0.06 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.57 3dwt s ALA 24 Cb -0.13 -2.66 -0.08 0.00 0.00 0.00 0.00 23.12 20.25 3dwt s ALA 24 CO -0.02 -0.22 0.01 0.45 0.00 0.00 0.00 175.76 175.98 3dwt s SER 25 N 0.90 3.79 -0.03 0.00 0.15 0.78 -4.92 113.70 114.38 3dwt s SER 25 Ca 0.22 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.47 3dwt s SER 25 Cb -0.15 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.81 3dwt s SER 25 CO 0.09 -0.47 0.05 0.61 1.20 0.00 0.00 173.24 174.72 3dwt n GLY 26 N -0.96 -1.85 0.00 9.45 0.00 -1.26 -2.21 105.19 108.36 3dwt n GLY 26 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3dwt n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 27 N 2.13 2.30 1.15 -0.02 0.00 -1.26 -1.69 105.19 107.80 3dwt n GLY 27 Ca -0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 3dwt n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwt n SER 28 N 0.00 -0.29 -4.53 1.61 7.64 -1.26 -5.05 113.62 111.74 3dwt n SER 28 Ca 0.00 -1.98 -0.29 0.00 1.01 0.00 0.00 58.87 57.61 3dwt n SER 28 Cb 0.00 0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 3dwt n SER 28 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dwt s SER 31 N -1.31 4.12 0.04 6.43 0.15 -1.26 -5.21 113.70 116.66 3dwt s SER 31 Ca 0.11 -0.49 -0.19 0.00 0.70 0.00 0.00 55.95 56.08 3dwt s SER 31 Cb 0.13 -0.67 -0.16 0.00 -1.71 0.00 0.00 66.02 63.61 3dwt s SER 31 CO -0.06 0.17 1.27 0.22 1.20 0.00 0.00 173.24 176.05 3dwt h TYR 32 N 3.61 0.58 0.00 3.44 3.20 -1.99 -3.07 116.97 122.74 3dwt h TYR 32 Ca -0.49 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.16 3dwt h TYR 32 Cb 1.17 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3dwt h TYR 32 CO 0.61 0.94 0.16 -1.13 -1.64 0.00 0.00 178.16 177.10 3dwt n SER 33 N -4.38 0.00 -0.00 -2.11 3.41 -1.26 -0.39 113.62 108.89 3dwt n SER 33 Ca -0.07 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 3dwt n SER 33 Cb 0.49 -0.30 0.48 0.00 -0.26 0.00 0.00 64.21 64.62 3dwt n SER 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dwt n THR 34 N -1.29 0.00 -4.10 6.66 -1.04 -1.16 -3.80 114.28 109.54 3dwt n THR 34 Ca 0.00 -0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 3dwt n THR 34 Cb 0.16 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 3dwt n THR 34 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dwt s PHE 35 N -2.98 3.09 -0.13 -1.42 0.40 0.48 -2.52 117.98 114.91 3dwt s PHE 35 Ca 0.13 -0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 3dwt s PHE 35 Cb 0.18 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 3dwt s PHE 35 CO 0.59 0.52 -0.09 -1.12 0.70 0.00 0.00 175.22 175.82 3dwt s SER 36 N -2.97 4.37 0.16 1.36 0.01 -0.63 -3.64 113.70 112.36 3dwt s SER 36 Ca 0.30 -0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.43 3dwt s SER 36 Cb -0.10 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 3dwt s SER 36 CO 0.22 0.20 -0.11 -0.76 0.41 0.00 0.00 173.24 173.21 3dwt s LEU 37 N 0.14 2.95 -0.08 2.44 1.43 -0.55 -2.26 118.68 122.75 3dwt s LEU 37 Ca -0.04 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 3dwt s LEU 37 Cb -0.14 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3dwt s LEU 37 CO 0.04 0.13 0.54 -0.83 0.23 0.00 0.00 176.35 176.46 3dwt s GLY 38 N -2.64 -0.42 -0.17 -3.19 0.00 -0.93 0.30 107.32 100.28 3dwt s GLY 38 Ca 0.23 1.10 -0.07 0.00 0.00 0.00 0.00 44.72 45.98 3dwt s GLY 38 CO 0.14 0.81 0.07 -0.98 0.00 0.00 0.00 173.10 173.14 3dwt s TRP 39 N -0.86 3.28 0.45 1.90 0.52 0.24 -1.63 118.94 122.84 3dwt s TRP 39 Ca -0.09 0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.22 3dwt s TRP 39 Cb -0.03 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 3dwt s TRP 39 CO 0.06 0.24 0.08 -0.06 0.02 0.00 0.00 176.95 177.30 3dwt s PHE 40 N 0.12 2.29 0.19 -1.98 0.40 -0.39 -0.57 117.98 118.04 3dwt s PHE 40 Ca 0.05 -0.74 -0.13 0.00 -0.60 0.00 0.00 56.93 55.51 3dwt s PHE 40 Cb -0.12 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3dwt s PHE 40 CO 0.00 0.25 0.41 -0.98 0.70 0.00 0.00 175.22 175.60 3dwt s ARG 41 N -3.85 1.32 -0.29 0.44 1.70 -0.48 -0.97 118.95 116.83 3dwt s ARG 41 Ca 0.28 -1.09 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 3dwt s ARG 41 Cb 0.05 0.45 0.14 0.00 -0.57 0.00 0.00 34.95 35.02 3dwt s ARG 41 CO 0.15 -0.53 0.60 -1.14 -1.08 0.00 0.00 175.30 173.30 3dwt s GLN 42 N -3.95 0.54 0.52 3.89 0.74 -0.58 -1.47 119.66 119.34 3dwt s GLN 42 Ca 0.16 1.24 -0.01 0.00 0.05 0.00 0.00 55.36 56.80 3dwt s GLN 42 Cb 0.01 0.66 0.01 0.00 1.10 0.00 0.00 33.01 34.79 3dwt s GLN 42 CO 0.01 -0.35 0.76 0.00 -0.55 0.00 0.00 175.29 175.16 3dwt s ALA 43 N 2.84 3.68 0.02 1.58 0.00 -1.26 -2.34 121.76 126.28 3dwt s ALA 43 Ca 0.03 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3dwt s ALA 43 Cb -0.13 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 3dwt s ALA 43 CO -0.19 -0.60 1.78 -2.14 0.00 0.00 0.00 175.76 174.61 3dwt s PRO 44 N -4.72 4.17 0.00 0.00 0.02 -1.26 -2.97 135.00 130.23 3dwt s PRO 44 Ca 0.52 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3dwt s PRO 44 Cb -0.10 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.48 3dwt s PRO 44 CO 0.40 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3dwt n GLY 45 N 4.26 2.81 3.78 0.52 0.00 -1.26 -5.04 105.19 110.27 3dwt n GLY 45 Ca 0.18 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3dwt n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwt s GLN 46 N 0.00 2.66 0.95 1.61 -0.21 -1.16 -5.05 119.66 118.47 3dwt s GLN 46 Ca 0.00 1.19 -0.15 0.00 0.02 0.00 0.00 55.36 56.42 3dwt s GLN 46 Cb 0.00 -1.95 0.18 0.00 1.00 0.00 0.00 33.01 32.24 3dwt s GLN 46 CO 0.00 -1.33 1.24 -1.21 -2.12 0.00 0.00 175.29 171.87 3dwt s GLU 47 N -4.62 0.77 -0.19 2.91 2.02 -1.26 -4.37 118.70 113.96 3dwt s GLU 47 Ca 0.62 -0.16 -0.26 0.00 0.02 0.00 0.00 54.97 55.19 3dwt s GLU 47 Cb -0.17 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 3dwt s GLU 47 CO 0.50 -2.37 0.88 0.50 0.02 0.00 0.00 175.26 174.79 3dwt s ARG 48 N -5.68 4.28 0.31 1.61 3.52 -1.26 -4.56 118.95 117.17 3dwt s ARG 48 Ca 0.70 1.10 0.08 0.00 -0.13 0.00 0.00 55.73 57.48 3dwt s ARG 48 Cb -0.08 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3dwt s ARG 48 CO 0.53 -0.42 0.14 -1.83 -0.81 0.00 0.00 175.30 172.91 3dwt s GLU 49 N 2.46 2.49 0.30 5.12 -1.05 -0.54 -4.82 118.70 122.65 3dwt s GLU 49 Ca 0.40 -1.40 -0.13 0.00 -0.15 0.00 0.00 54.97 53.68 3dwt s GLU 49 Cb -0.16 -2.28 -0.08 0.00 -0.44 0.00 0.00 34.13 31.17 3dwt s GLU 49 CO 0.11 0.21 0.68 0.00 0.95 0.00 0.00 175.26 177.21 3dwt s ALA 50 N -2.34 3.39 -0.01 -0.84 0.00 -1.26 -1.38 121.76 119.33 3dwt s ALA 50 Ca 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3dwt s ALA 50 Cb -0.05 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 3dwt s ALA 50 CO 0.23 0.38 -0.06 0.28 0.00 0.00 0.00 175.76 176.59 3dwt n VAL 51 N -0.31 0.66 -3.66 0.00 0.31 0.26 -4.60 118.33 111.00 3dwt n VAL 51 Ca 0.03 0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 3dwt n VAL 51 Cb 0.53 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 3dwt n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dwt s ALA 52 N -2.11 -1.17 0.13 3.52 0.00 -0.97 0.53 121.76 121.70 3dwt s ALA 52 Ca -0.06 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 3dwt s ALA 52 Cb 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3dwt s ALA 52 CO 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 175.76 175.54 3dwt s ALA 53 N -1.43 0.96 -0.17 0.00 0.00 0.27 0.83 121.76 122.22 3dwt s ALA 53 Ca -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.33 3dwt s ALA 53 Cb -0.03 0.68 0.08 0.00 0.00 0.00 0.00 23.12 23.85 3dwt s ALA 53 CO 0.05 -0.42 0.29 -1.50 0.00 0.00 0.00 175.76 174.19 3dwt s ILE 54 N -3.91 -0.45 0.80 0.00 2.07 0.15 -1.80 121.20 118.05 3dwt s ILE 54 Ca 0.21 0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 59.47 3dwt s ILE 54 Cb 0.07 -0.58 0.07 0.00 0.13 0.00 0.00 42.46 42.15 3dwt s ILE 54 CO 0.01 0.01 1.09 0.00 -1.91 0.00 0.00 174.94 174.13 3dwt s ALA 55 N 2.44 2.20 0.98 1.50 0.00 0.03 -1.49 121.76 127.42 3dwt s ALA 55 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 3dwt s ALA 55 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3dwt s ALA 55 CO -0.11 -1.76 0.01 -1.13 0.00 0.00 0.00 175.76 172.77 3dwt n SER 56 N -3.47 0.00 -2.23 0.00 3.41 -1.24 -2.94 113.62 107.16 3dwt n SER 56 Ca 0.07 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.53 3dwt n SER 56 Cb 0.55 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3dwt n SER 56 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3dwt n MET 57 N -1.02 -1.90 0.00 4.33 2.81 -1.25 -3.76 117.12 116.33 3dwt n MET 57 Ca 0.00 0.77 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 3dwt n MET 57 Cb 0.00 -5.32 0.00 0.00 -0.71 0.00 0.00 33.22 27.20 3dwt n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwt n GLY 58 N -0.75 3.34 0.00 3.03 0.00 -1.26 -4.95 105.19 104.60 3dwt n GLY 58 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3dwt n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 59 N 0.00 1.61 3.71 -0.02 0.00 -1.15 -5.06 105.19 104.28 3dwt n GLY 59 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dwt n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwt s LEU 60 N 0.00 4.38 0.07 0.99 1.43 -1.26 -4.72 118.68 119.57 3dwt s LEU 60 Ca 0.00 2.74 0.05 0.00 -1.03 0.00 0.00 54.13 55.89 3dwt s LEU 60 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3dwt s LEU 60 CO 0.00 -0.93 -0.07 0.42 0.23 0.00 0.00 176.35 176.00 3dwt s THR 61 N 1.69 3.59 0.01 5.49 -4.23 -1.26 -0.79 115.64 120.14 3dwt s THR 61 Ca 0.75 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 3dwt s THR 61 Cb -0.46 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 3dwt s THR 61 CO 0.33 0.20 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.23 3dwt s TYR 62 N -1.17 0.64 0.06 3.99 1.51 -0.75 -4.98 117.35 116.65 3dwt s TYR 62 Ca 0.21 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3dwt s TYR 62 Cb -0.11 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.31 3dwt s TYR 62 CO 0.13 -0.02 -0.12 0.71 -1.11 0.00 0.00 175.55 175.14 3dwt s TYR 63 N -0.45 1.00 0.71 2.71 2.02 -1.26 -0.56 117.35 121.52 3dwt s TYR 63 Ca -0.00 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 3dwt s TYR 63 Cb -0.04 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.97 3dwt s TYR 63 CO -0.00 0.00 1.13 0.00 -1.57 0.00 0.00 175.55 175.12 3dwt s ALA 64 N -1.24 2.28 0.11 3.71 0.00 0.19 -4.80 121.76 122.01 3dwt s ALA 64 Ca -0.04 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 3dwt s ALA 64 Cb -0.10 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3dwt s ALA 64 CO 0.01 -1.60 1.75 -0.44 0.00 0.00 0.00 175.76 175.48 3dwt h ASP 65 N -0.34 0.07 0.00 0.00 3.32 -1.93 -2.12 116.42 115.41 3dwt h ASP 65 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3dwt h ASP 65 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3dwt h ASP 65 CO 0.52 0.06 0.18 0.77 -1.72 0.00 0.00 179.24 179.05 3dwt h SER 66 N 0.12 0.00 -0.00 6.45 4.64 -1.97 -2.42 113.55 120.38 3dwt h SER 66 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3dwt h SER 66 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3dwt h SER 66 CO -0.05 0.00 -0.14 1.33 -0.87 0.00 0.00 176.83 177.10 3dwt n VAL 67 N -2.78 0.00 -1.75 0.95 0.24 -0.99 -4.98 118.33 109.01 3dwt n VAL 67 Ca -0.02 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 3dwt n VAL 67 Cb 0.23 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 3dwt n VAL 67 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dwt s LYS 68 N -1.05 4.12 0.00 7.34 2.20 -0.83 -1.97 119.74 129.55 3dwt s LYS 68 Ca 0.04 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 3dwt s LYS 68 Cb 0.04 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3dwt s LYS 68 CO 0.15 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3dwt n GLY 69 N 2.68 2.97 0.06 5.54 0.00 -1.26 -4.78 105.19 110.41 3dwt n GLY 69 Ca 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 3dwt n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dwt h ARG 70 N 0.00 -0.03 -6.98 1.61 3.08 -1.87 -3.47 114.38 106.73 3dwt h ARG 70 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3dwt h ARG 70 Cb 0.00 0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.10 3dwt h ARG 70 CO 0.00 0.23 0.45 -0.06 -1.07 0.00 0.00 179.97 179.52 3dwt s PHE 71 N -1.83 3.08 -0.32 3.04 0.40 -0.83 -3.33 117.98 118.18 3dwt s PHE 71 Ca -0.05 1.59 -0.01 0.00 -0.60 0.00 0.00 56.93 57.86 3dwt s PHE 71 Cb -0.01 -3.25 0.13 0.00 0.51 0.00 0.00 43.02 40.40 3dwt s PHE 71 CO 0.19 -1.05 0.22 0.99 0.70 0.00 0.00 175.22 176.27 3dwt s THR 72 N -1.61 -0.07 0.25 0.64 2.01 -0.29 -4.87 115.64 111.70 3dwt s THR 72 Ca 0.60 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 3dwt s THR 72 Cb -0.25 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 3dwt s THR 72 CO 0.31 -0.78 0.92 -0.51 -0.69 0.00 0.00 174.62 173.87 3dwt s ILE 73 N 1.64 4.13 0.29 1.82 2.07 -1.25 -2.29 121.20 127.61 3dwt s ILE 73 Ca 0.14 1.99 -0.08 0.00 -1.41 0.00 0.00 60.65 61.29 3dwt s ILE 73 Cb -0.18 -4.25 0.00 0.00 0.13 0.00 0.00 42.46 38.16 3dwt s ILE 73 CO -0.17 0.43 0.48 -0.94 -1.91 0.00 0.00 174.94 172.84 3dwt s SER 74 N -1.26 0.34 0.04 4.50 1.04 -0.06 -4.98 113.70 113.32 3dwt s SER 74 Ca 0.42 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 3dwt s SER 74 Cb -0.24 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3dwt s SER 74 CO 0.30 -1.23 0.21 0.00 0.98 0.00 0.00 173.24 173.49 3dwt s ARG 75 N -3.49 0.71 -0.32 4.02 1.70 -1.26 -1.00 118.95 119.30 3dwt s ARG 75 Ca 0.26 -0.62 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3dwt s ARG 75 Cb -0.00 0.29 0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3dwt s ARG 75 CO 0.14 -0.21 0.12 0.34 -1.08 0.00 0.00 175.30 174.61 3dwt s ASP 76 N -2.10 3.89 0.56 -2.89 -1.08 -0.68 -5.01 116.67 109.36 3dwt s ASP 76 Ca -0.05 -1.73 0.32 0.00 -0.52 0.00 0.00 52.55 50.57 3dwt s ASP 76 Cb -0.01 -0.81 1.66 0.00 -1.46 0.00 0.00 42.92 42.31 3dwt s ASP 76 CO -0.04 -0.40 2.13 0.78 0.52 0.00 0.00 175.17 178.16 3dwt h ASN 77 N 7.93 0.00 -0.39 -0.34 2.35 -1.97 -1.59 115.58 121.57 3dwt h ASN 77 Ca -0.12 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 3dwt h ASN 77 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3dwt h ASN 77 CO 0.46 0.07 -0.37 0.00 -1.65 0.00 0.00 177.43 175.93 3dwt h ALA 78 N 1.93 0.57 -0.32 -0.83 0.00 -1.96 -3.09 119.26 115.56 3dwt h ALA 78 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dwt h ALA 78 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dwt h ALA 78 CO 0.01 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.56 3dwt n LYS 79 N -4.07 2.23 -3.86 0.00 5.02 -1.01 -4.96 118.16 111.51 3dwt n LYS 79 Ca -0.02 -1.86 -0.28 0.00 -2.02 0.00 0.00 58.31 54.13 3dwt n LYS 79 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3dwt n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dwt n ASN 80 N 1.08 -1.93 -4.06 4.39 4.13 -0.64 -4.87 115.26 113.35 3dwt n ASN 80 Ca 0.18 -1.01 -0.19 0.00 1.68 0.00 0.00 54.58 55.25 3dwt n ASN 80 Cb 0.50 -3.18 -0.14 0.00 -1.54 0.00 0.00 39.78 35.43 3dwt n ASN 80 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3dwt s THR 81 N -3.78 0.82 -0.06 3.41 2.01 -0.95 -2.71 115.64 114.38 3dwt s THR 81 Ca 0.15 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3dwt s THR 81 Cb -0.06 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3dwt s THR 81 CO 0.88 0.11 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.09 3dwt s VAL 82 N -0.48 3.12 -0.06 3.82 1.01 -0.32 -1.69 120.40 125.80 3dwt s VAL 82 Ca 0.02 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3dwt s VAL 82 Cb -0.05 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3dwt s VAL 82 CO 0.00 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.70 3dwt s THR 83 N -0.60 0.93 -0.25 3.92 2.01 -0.17 -0.69 115.64 120.78 3dwt s THR 83 Ca 0.09 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 3dwt s THR 83 Cb -0.11 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.53 3dwt s THR 83 CO 0.01 0.31 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.01 3dwt s LEU 84 N 0.73 3.29 -0.47 4.42 2.96 -0.88 -0.89 118.68 127.84 3dwt s LEU 84 Ca -0.14 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 52.92 3dwt s LEU 84 Cb -0.15 -1.73 0.09 0.00 0.50 0.00 0.00 46.19 44.89 3dwt s LEU 84 CO 0.03 -0.12 0.37 -1.58 -1.32 0.00 0.00 176.35 173.73 3dwt s GLN 85 N 1.40 2.83 -0.47 1.98 2.00 -0.97 -1.87 119.66 124.57 3dwt s GLN 85 Ca 0.02 -1.49 -0.19 0.00 -2.00 0.00 0.00 55.36 51.70 3dwt s GLN 85 Cb -0.16 -4.05 0.04 0.00 0.80 0.00 0.00 33.01 29.64 3dwt s GLN 85 CO -0.02 -1.08 0.59 -1.64 -0.50 0.00 0.00 175.29 172.63 3dwt s MET 86 N 1.55 3.16 -0.18 1.67 -1.94 -0.58 -1.14 119.30 121.84 3dwt s MET 86 Ca 0.04 -0.71 -0.17 0.00 -1.71 0.00 0.00 55.69 53.14 3dwt s MET 86 Cb -0.25 -4.02 -0.22 0.00 2.01 0.00 0.00 34.83 32.35 3dwt s MET 86 CO 0.04 -1.07 0.28 -0.91 -0.01 0.00 0.00 175.02 173.35 3dwt h ASN 87 N 8.90 0.13 -2.81 3.03 2.35 -1.82 -1.96 115.58 123.40 3dwt h ASN 87 Ca -0.27 -0.65 -0.69 0.00 -0.55 0.00 0.00 56.30 54.15 3dwt h ASN 87 Cb 1.10 -0.04 -0.36 0.00 0.05 0.00 0.00 38.32 39.06 3dwt h ASN 87 CO 0.90 1.59 -0.09 -3.20 -1.65 0.00 0.00 177.43 174.99 3dwt n ASN 88 N -4.16 4.51 -4.73 5.81 2.85 -1.26 -3.78 115.26 114.51 3dwt n ASN 88 Ca -0.31 -3.32 -0.42 0.00 -0.11 0.00 0.00 54.58 50.42 3dwt n ASN 88 Cb 0.79 -0.95 -0.03 0.00 1.24 0.00 0.00 39.78 40.83 3dwt n ASN 88 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3dwt s LEU 89 N -2.12 4.37 0.14 1.20 1.43 -0.92 -4.75 118.68 118.03 3dwt s LEU 89 Ca 0.33 2.70 0.11 0.00 -1.03 0.00 0.00 54.13 56.23 3dwt s LEU 89 Cb 0.04 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3dwt s LEU 89 CO -0.03 -0.83 -0.26 -0.54 0.23 0.00 0.00 176.35 174.92 3dwt s LYS 90 N 0.66 1.46 0.61 1.70 1.02 -1.26 -0.76 119.74 123.17 3dwt s LYS 90 Ca 0.68 -1.37 0.25 0.00 0.02 0.00 0.00 55.97 55.55 3dwt s LYS 90 Cb -0.45 -1.91 1.17 0.00 -0.52 0.00 0.00 37.83 36.13 3dwt s LYS 90 CO 0.36 0.44 1.61 -1.35 -0.92 0.00 0.00 175.35 175.49 3dwt h PRO 91 N 3.72 0.00 0.00 -1.68 0.11 -1.93 0.40 132.00 132.63 3dwt h PRO 91 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dwt h PRO 91 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dwt h PRO 91 CO 0.41 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.13 3dwt h GLU 92 N 0.00 0.00 0.00 1.05 4.39 -1.95 -1.95 114.58 116.12 3dwt h GLU 92 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3dwt h GLU 92 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 3dwt h GLU 92 CO -0.00 0.00 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.35 3dwt h ASP 93 N 0.00 0.00 -1.88 1.42 3.45 -0.57 -3.45 116.42 115.39 3dwt h ASP 93 Ca 0.00 -0.01 -0.62 0.00 0.43 0.00 0.00 57.03 56.83 3dwt h ASP 93 Cb 0.43 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3dwt h ASP 93 CO 0.00 0.00 1.20 0.41 -1.57 0.00 0.00 179.24 179.28 3dwt n THR 94 N -2.75 0.50 -1.09 0.35 -1.04 -0.73 -4.84 114.28 104.68 3dwt n THR 94 Ca 0.04 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3dwt n THR 94 Cb 0.49 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 3dwt n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwt n ALA 95 N 7.79 0.00 -2.68 2.41 0.00 -0.09 -4.63 120.51 123.31 3dwt n ALA 95 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 3dwt n ALA 95 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 3dwt n ALA 95 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3dwt s ILE 96 N -2.35 5.23 -0.24 0.00 2.07 -0.99 -0.89 121.20 124.03 3dwt s ILE 96 Ca 0.00 0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.27 3dwt s ILE 96 Cb 0.00 -3.45 -0.05 0.00 0.13 0.00 0.00 42.46 39.09 3dwt s ILE 96 CO 0.00 0.32 0.17 -0.31 -1.91 0.00 0.00 174.94 173.21 3dwt s TYR 97 N 1.26 3.31 0.03 3.50 1.51 0.01 -1.52 117.35 125.45 3dwt s TYR 97 Ca 0.07 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 3dwt s TYR 97 Cb -0.14 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 3dwt s TYR 97 CO 0.06 0.05 0.13 0.71 -1.11 0.00 0.00 175.55 175.39 3dwt s TYR 98 N 1.11 3.37 0.15 2.71 2.02 -0.14 -1.41 117.35 125.16 3dwt s TYR 98 Ca 0.08 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 3dwt s TYR 98 Cb -0.14 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 3dwt s TYR 98 CO 0.05 0.57 0.31 0.00 -1.57 0.00 0.00 175.55 174.91 3dwt s ALA 100 N -1.74 -0.87 0.13 0.00 0.00 -0.65 -0.75 121.76 117.88 3dwt s ALA 100 Ca 0.36 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 3dwt s ALA 100 Cb -0.11 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.63 3dwt s ALA 100 CO 0.28 -0.60 0.32 0.00 0.00 0.00 0.00 175.76 175.77 3dwt s ALA 101 N -3.58 -0.48 -0.17 0.00 0.00 -0.52 -2.20 121.76 114.81 3dwt s ALA 101 Ca 0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 3dwt s ALA 101 Cb 0.02 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.88 3dwt s ALA 101 CO -0.10 -0.62 0.63 0.54 0.00 0.00 0.00 175.76 176.21 3dwt s VAL 102 N -3.87 0.00 -0.75 0.00 0.11 -0.96 -1.28 120.40 113.65 3dwt s VAL 102 Ca 0.08 -0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 58.89 3dwt s VAL 102 Cb 0.03 -0.91 0.11 0.00 -1.53 0.00 0.00 36.38 34.08 3dwt s VAL 102 CO -0.08 -0.02 0.94 -0.60 -3.33 0.00 0.00 175.10 172.02 3dwt s ARG 103 N -0.24 3.30 0.00 1.54 3.52 -1.26 -1.60 118.95 124.20 3dwt s ARG 103 Ca -0.04 -1.40 0.00 0.00 -0.13 0.00 0.00 55.73 54.16 3dwt s ARG 103 Cb -0.03 -4.50 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 3dwt s ARG 103 CO 0.04 -1.70 0.00 0.41 -0.81 0.00 0.00 175.30 173.24 3dwt n GLY 104 N 5.29 -0.54 3.02 8.12 0.00 -1.05 -5.00 105.19 115.04 3dwt n GLY 104 Ca 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 3dwt n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dwt s TYR 105 N -3.12 0.08 0.15 1.61 5.04 -1.26 -3.90 117.35 115.94 3dwt s TYR 105 Ca 0.00 -0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.37 3dwt s TYR 105 Cb 0.00 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 3dwt s TYR 105 CO 0.00 -0.18 0.26 -0.59 -1.34 0.00 0.00 175.55 173.70 3dwt s PHE 106 N -1.01 0.32 -0.21 4.97 -0.12 -1.26 -5.09 117.98 115.59 3dwt s PHE 106 Ca -0.11 -0.70 0.11 0.00 -0.05 0.00 0.00 56.93 56.18 3dwt s PHE 106 Cb -0.06 -0.05 0.43 0.00 -0.63 0.00 0.00 43.02 42.70 3dwt s PHE 106 CO 0.00 -0.68 1.21 -1.33 -0.05 0.00 0.00 175.22 174.38 3dwt n MET 107 N -0.18 1.83 -3.66 1.99 2.81 -1.26 -4.79 117.12 113.86 3dwt n MET 107 Ca -0.09 -3.38 -0.07 0.00 -1.81 0.00 0.00 57.70 52.35 3dwt n MET 107 Cb 0.63 -1.63 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 3dwt n MET 107 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3dwt s ARG 108 N -3.12 1.23 -0.41 0.03 1.70 -1.26 -5.08 118.95 112.04 3dwt s ARG 108 Ca 0.40 -0.60 -0.28 0.00 -0.47 0.00 0.00 55.73 54.78 3dwt s ARG 108 Cb 0.38 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 35.20 3dwt s ARG 108 CO -0.06 -0.55 1.88 -1.17 -1.08 0.00 0.00 175.30 174.32 3dwt s LEU 109 N -2.79 3.44 0.00 -1.89 0.20 -1.26 -4.94 118.68 111.43 3dwt s LEU 109 Ca 0.08 1.05 -0.02 0.00 0.69 0.00 0.00 54.13 55.93 3dwt s LEU 109 Cb -0.02 -3.17 0.03 0.00 -0.43 0.00 0.00 46.19 42.60 3dwt s LEU 109 CO -0.02 -1.99 0.10 -2.65 -0.29 0.00 0.00 176.35 171.50 3dwt n PRO 110 N 8.69 -1.44 -4.58 0.98 -0.02 -1.26 -5.08 135.00 132.28 3dwt n PRO 110 Ca 0.24 -0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 3dwt n PRO 110 Cb 0.49 -0.17 -0.08 0.00 -0.02 0.00 0.00 33.50 33.72 3dwt n PRO 110 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dwt s SER 111 N -1.86 3.18 0.19 2.55 1.04 -1.26 -4.76 113.70 112.78 3dwt s SER 111 Ca 0.07 -1.66 -0.22 0.00 0.48 0.00 0.00 55.95 54.62 3dwt s SER 111 Cb -0.01 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.70 3dwt s SER 111 CO 0.05 -0.90 1.44 -0.24 0.98 0.00 0.00 173.24 174.58 3dwt n SER 112 N -1.29 -0.77 0.00 7.02 2.88 -1.26 -0.99 113.62 119.21 3dwt n SER 112 Ca -0.10 1.64 0.10 0.00 -1.33 0.00 0.00 58.87 59.18 3dwt n SER 112 Cb 0.66 -0.31 0.59 0.00 -0.75 0.00 0.00 64.21 64.40 3dwt n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dwt n HIS 113 N -5.29 0.00 1.24 0.66 -0.00 -1.26 -2.72 115.22 107.85 3dwt n HIS 113 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.91 3dwt n HIS 113 Cb 0.32 0.00 0.42 0.00 -0.00 0.00 0.00 29.99 30.73 3dwt n HIS 113 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3dwt n ASN 114 N -0.88 0.78 -4.60 4.39 3.02 -0.17 -4.85 115.26 112.96 3dwt n ASN 114 Ca 0.15 -0.67 -0.33 0.00 -0.03 0.00 0.00 54.58 53.69 3dwt n ASN 114 Cb 0.07 0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 3dwt n ASN 114 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dwt s PHE 115 N -2.58 2.94 -0.26 3.10 0.40 -1.10 -4.80 117.98 115.67 3dwt s PHE 115 Ca 0.23 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3dwt s PHE 115 Cb 0.19 -1.67 -0.15 0.00 0.51 0.00 0.00 43.02 41.89 3dwt s PHE 115 CO 0.54 0.36 -0.26 -2.13 0.70 0.00 0.00 175.22 174.43 3dwt n ARG 116 N 1.91 0.62 -4.01 0.44 0.63 -0.41 -4.98 116.66 110.87 3dwt n ARG 116 Ca -0.17 0.17 -0.31 0.00 -0.92 0.00 0.00 57.85 56.63 3dwt n ARG 116 Cb 0.53 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.88 3dwt n ARG 116 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3dwt s TYR 117 N -2.51 3.31 0.02 -0.14 1.51 -0.50 -4.98 117.35 114.06 3dwt s TYR 117 Ca -0.35 0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3dwt s TYR 117 Cb 0.10 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 3dwt s TYR 117 CO 0.56 0.55 0.02 -1.58 -1.11 0.00 0.00 175.55 173.99 3dwt s TRP 118 N -1.41 0.24 0.76 2.71 0.52 -1.26 -1.44 118.94 119.06 3dwt s TRP 118 Ca 0.31 -0.51 -0.09 0.00 0.02 0.00 0.00 56.10 55.83 3dwt s TRP 118 Cb -0.12 -0.18 0.17 0.00 -1.15 0.00 0.00 33.47 32.18 3dwt s TRP 118 CO 0.23 -0.25 1.03 0.41 0.02 0.00 0.00 176.95 178.40 3dwt n GLY 119 N 1.31 -0.64 0.11 0.98 0.00 0.07 -4.30 105.19 102.72 3dwt n GLY 119 Ca -0.22 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3dwt n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwt n GLN 120 N -3.10 0.37 0.00 1.61 1.13 -1.26 -4.69 117.38 111.43 3dwt n GLN 120 Ca 0.14 -0.21 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 3dwt n GLN 120 Cb 0.50 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.36 3dwt n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dwt n GLY 121 N 1.43 1.92 3.51 1.08 0.00 -1.26 -5.02 105.19 106.85 3dwt n GLY 121 Ca 0.08 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 3dwt n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwt s THR 122 N -2.54 -0.60 0.16 2.61 2.01 -0.50 -4.93 115.64 111.85 3dwt s THR 122 Ca 0.00 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 3dwt s THR 122 Cb 0.00 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 3dwt s THR 122 CO 0.00 0.02 1.40 -1.58 -0.69 0.00 0.00 174.62 173.77 3dwt s GLN 123 N 2.41 4.32 -0.09 4.92 2.00 -1.26 -0.81 119.66 131.15 3dwt s GLN 123 Ca -0.06 2.14 -0.01 0.00 -2.00 0.00 0.00 55.36 55.43 3dwt s GLN 123 Cb -0.10 -3.20 0.03 0.00 0.80 0.00 0.00 33.01 30.53 3dwt s GLN 123 CO -0.17 -0.41 -0.04 0.08 -0.50 0.00 0.00 175.29 174.25 3dwt s VAL 124 N 0.71 0.73 -0.12 1.34 1.01 -0.07 -1.60 120.40 122.41 3dwt s VAL 124 Ca 0.63 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3dwt s VAL 124 Cb -0.38 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3dwt s VAL 124 CO 0.34 0.32 -0.18 -0.89 0.00 0.00 0.00 175.10 174.69 3dwt s THR 125 N 1.81 1.72 -0.16 3.92 2.01 0.52 -0.92 115.64 124.55 3dwt s THR 125 Ca 0.05 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3dwt s THR 125 Cb -0.12 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3dwt s THR 125 CO -0.07 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.46 3dwt s VAL 126 N 0.86 2.21 0.21 3.82 1.01 -1.26 0.50 120.40 127.75 3dwt s VAL 126 Ca -0.08 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3dwt s VAL 126 Cb -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3dwt s VAL 126 CO -0.00 0.54 -0.17 -0.94 0.00 0.00 0.00 175.10 174.52 3dwt s SER 127 N 1.01 2.85 0.31 3.32 1.04 -0.89 -4.25 113.70 117.10 3dwt s SER 127 Ca -0.02 -0.99 -0.28 0.00 0.48 0.00 0.00 55.95 55.14 3dwt s SER 127 Cb -0.15 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.70 3dwt s SER 127 CO -0.06 -0.09 1.11 -0.55 0.98 0.00 0.00 173.24 174.64 3dwt s SER 128 N -3.22 7.10 0.00 7.02 0.15 -1.26 -0.32 113.70 123.17 3dwt s SER 128 Ca 0.23 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.16 3dwt s SER 128 Cb -0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3dwt s SER 128 CO 0.09 -0.26 0.00 -2.11 1.20 0.00 0.00 173.24 172.15