#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 1.25 -0.12 7.34 -2.07 -1.04 -5.00 119.66 120.02 3dwt s GLN 3 Ca 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 52.91 3dwt s GLN 3 Cb 0.00 0.54 0.02 0.00 -1.09 0.00 0.00 33.01 32.48 3dwt s GLN 3 CO 0.00 -0.53 -0.11 -0.51 -1.32 0.00 0.00 175.29 172.83 3dwt s LEU 4 N -2.80 1.42 -0.09 2.60 1.43 -1.26 -1.25 118.68 118.74 3dwt s LEU 4 Ca 0.03 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3dwt s LEU 4 Cb -0.00 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3dwt s LEU 4 CO -0.10 -0.08 0.04 -0.69 0.23 0.00 0.00 176.35 175.75 3dwt s VAL 5 N 1.49 4.58 -0.13 -1.59 1.01 -0.45 -4.10 120.40 121.21 3dwt s VAL 5 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 3dwt s VAL 5 Cb -0.13 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3dwt s VAL 5 CO -0.07 0.59 -0.05 -1.61 0.00 0.00 0.00 175.10 173.95 3dwt s GLU 6 N -0.98 3.40 0.48 2.72 2.02 -1.26 -1.69 118.70 123.38 3dwt s GLU 6 Ca 0.14 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.67 3dwt s GLU 6 Cb -0.11 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.33 3dwt s GLU 6 CO 0.04 0.35 0.47 0.45 0.02 0.00 0.00 175.26 176.59 3dwt s SER 7 N 0.04 4.99 0.11 -0.19 0.15 0.73 -4.95 113.70 114.58 3dwt s SER 7 Ca -0.01 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.77 3dwt s SER 7 Cb -0.14 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 3dwt s SER 7 CO 0.03 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.18 3dwt n GLY 8 N -1.74 -1.91 0.00 9.45 0.00 -1.26 -1.44 105.19 108.29 3dwt n GLY 8 Ca 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 1.16 0.00 -0.02 0.00 -1.22 -4.91 105.19 100.20 3dwt n GLY 9 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.57 0.90 3.58 -0.02 0.00 -0.75 -4.98 105.19 105.49 3dwt n GLY 10 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.94 5.03 0.09 1.61 1.04 -1.26 -1.17 113.70 116.10 3dwt s SER 11 Ca 0.00 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.44 3dwt s SER 11 Cb 0.00 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 3dwt s SER 11 CO 0.00 0.24 -0.08 0.54 0.98 0.00 0.00 173.24 174.93 3dwt s VAL 12 N -0.08 0.74 0.23 5.02 0.11 0.18 -4.94 120.40 121.65 3dwt s VAL 12 Ca 0.03 -1.73 -0.20 0.00 -2.93 0.00 0.00 61.98 57.15 3dwt s VAL 12 Cb -0.13 -1.43 -0.08 0.00 -1.53 0.00 0.00 36.38 33.21 3dwt s VAL 12 CO 0.02 -0.72 0.73 -1.58 -3.33 0.00 0.00 175.10 170.23 3dwt s GLN 13 N -3.22 4.26 0.21 1.54 0.74 -1.26 -1.72 119.66 120.20 3dwt s GLN 13 Ca 0.07 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 3dwt s GLN 13 Cb 0.01 -2.87 -0.16 0.00 1.10 0.00 0.00 33.01 31.09 3dwt s GLN 13 CO -0.03 0.39 0.85 0.00 -0.55 0.00 0.00 175.29 175.95 3dwt n ALA 14 N 0.70 -1.68 0.00 1.58 0.00 -0.56 -0.14 120.51 120.42 3dwt n ALA 14 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3dwt n ALA 14 Cb 0.51 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.72 2.17 3.90 0.00 0.00 0.42 -4.98 105.19 108.42 3dwt n GLY 15 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.98 1.61 0.41 -0.02 0.00 0.80 -4.55 107.32 103.59 3dwt s GLY 16 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 44.72 44.19 3dwt s GLY 16 CO 0.00 -0.16 0.47 -0.45 0.00 0.00 0.00 173.10 172.96 3dwt s SER 17 N -4.52 5.38 -0.28 1.64 0.15 -1.24 -2.66 113.70 112.15 3dwt s SER 17 Ca 0.61 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 3dwt s SER 17 Cb -0.11 -0.64 0.13 0.00 -1.71 0.00 0.00 66.02 63.69 3dwt s SER 17 CO 0.49 -0.69 1.07 -0.22 1.20 0.00 0.00 173.24 175.09 3dwt s LEU 18 N -4.23 -0.42 -0.11 3.45 0.20 -0.79 -4.95 118.68 111.83 3dwt s LEU 18 Ca 0.51 0.78 0.03 0.00 0.69 0.00 0.00 54.13 56.15 3dwt s LEU 18 Cb -0.07 1.78 0.00 0.00 -0.43 0.00 0.00 46.19 47.48 3dwt s LEU 18 CO 0.30 -0.13 -0.23 -0.60 -0.29 0.00 0.00 176.35 175.40 3dwt s ARG 19 N 0.37 3.07 -0.09 1.98 3.52 -1.26 -1.80 118.95 124.75 3dwt s ARG 19 Ca 0.02 -0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 3dwt s ARG 19 Cb -0.05 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 3dwt s ARG 19 CO -0.08 0.14 0.01 -0.51 -0.81 0.00 0.00 175.30 174.05 3dwt s LEU 20 N 0.45 3.64 0.02 -0.88 1.43 -0.29 -3.45 118.68 119.61 3dwt s LEU 20 Ca -0.16 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3dwt s LEU 20 Cb -0.17 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3dwt s LEU 20 CO 0.06 0.37 -0.15 -0.55 0.23 0.00 0.00 176.35 176.32 3dwt s SER 21 N -0.82 1.72 -0.04 2.29 0.15 -0.52 -1.37 113.70 115.12 3dwt s SER 21 Ca 0.13 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 3dwt s SER 21 Cb -0.11 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3dwt s SER 21 CO 0.02 0.10 0.02 0.00 1.20 0.00 0.00 173.24 174.58 3dwt s THR 23 N 1.48 1.86 -0.12 0.00 2.01 -0.68 0.11 115.64 120.29 3dwt s THR 23 Ca -0.03 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 60.71 3dwt s THR 23 Cb -0.13 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3dwt s THR 23 CO -0.03 0.35 0.14 0.00 -0.69 0.00 0.00 174.62 174.39 3dwt s ALA 24 N -0.72 3.85 0.07 7.40 0.00 -1.04 -1.34 121.76 130.00 3dwt s ALA 24 Ca 0.09 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.44 3dwt s ALA 24 Cb -0.09 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3dwt s ALA 24 CO 0.01 0.60 -0.11 -1.54 0.00 0.00 0.00 175.76 174.72 3dwt s SER 25 N -0.97 1.39 -0.18 0.00 1.04 -0.38 -4.98 113.70 109.61 3dwt s SER 25 Ca 0.15 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 3dwt s SER 25 Cb -0.12 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.00 3dwt s SER 25 CO 0.04 -0.18 0.05 0.61 0.98 0.00 0.00 173.24 174.74 3dwt n GLY 26 N 1.05 -3.01 0.00 7.32 0.00 -1.26 -2.50 105.19 106.79 3dwt n GLY 26 Ca -0.20 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.24 3.75 0.00 -0.02 0.00 -1.26 -3.74 105.19 105.15 3dwt n GLY 27 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3dwt n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwt n SER 28 N 0.00 0.19 -4.87 1.61 3.41 -1.26 -5.07 113.62 107.63 3dwt n SER 28 Ca 0.00 -0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 57.74 3dwt n SER 28 Cb 0.00 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 3dwt n SER 28 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dwt s SER 31 N -0.35 6.64 0.04 4.04 0.15 -1.26 -5.24 113.70 117.72 3dwt s SER 31 Ca 0.00 0.80 -0.21 0.00 0.70 0.00 0.00 55.95 57.25 3dwt s SER 31 Cb 0.00 -2.18 -0.14 0.00 -1.71 0.00 0.00 66.02 61.98 3dwt s SER 31 CO 0.00 0.14 1.35 0.22 1.20 0.00 0.00 173.24 176.15 3dwt h TYR 32 N 3.54 0.41 0.00 3.44 3.20 -1.99 -2.96 116.97 122.61 3dwt h TYR 32 Ca -0.49 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.26 3dwt h TYR 32 Cb 1.19 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3dwt h TYR 32 CO 0.65 0.73 0.13 -1.13 -1.64 0.00 0.00 178.16 176.90 3dwt n SER 33 N -4.58 0.00 0.03 -2.11 3.41 -1.26 -0.16 113.62 108.96 3dwt n SER 33 Ca -0.06 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3dwt n SER 33 Cb 0.35 -0.24 0.39 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.20 0.19 -4.05 6.66 -1.04 -1.12 -3.64 114.28 110.09 3dwt n THR 34 Ca 0.00 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.67 3dwt n THR 34 Cb 0.13 -0.25 -0.04 0.00 -1.82 0.00 0.00 70.33 68.36 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 -3.05 3.26 -0.08 -1.42 0.40 0.77 -3.15 117.98 114.70 3dwt s PHE 35 Ca 0.11 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 3dwt s PHE 35 Cb 0.16 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 3dwt s PHE 35 CO 0.63 0.50 -0.24 -1.12 0.70 0.00 0.00 175.22 175.68 3dwt s SER 36 N -3.68 3.08 0.21 1.36 0.01 -0.39 -3.38 113.70 110.91 3dwt s SER 36 Ca 0.33 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 57.15 3dwt s SER 36 Cb -0.09 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3dwt s SER 36 CO 0.26 0.20 -0.13 -0.76 0.41 0.00 0.00 173.24 173.21 3dwt s LEU 37 N 0.12 2.81 -0.21 2.44 1.43 0.02 -1.66 118.68 123.64 3dwt s LEU 37 Ca -0.12 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 3dwt s LEU 37 Cb -0.16 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.65 3dwt s LEU 37 CO 0.07 0.08 0.56 -0.83 0.23 0.00 0.00 176.35 176.46 3dwt s GLY 38 N -3.01 -0.42 -0.15 -3.19 0.00 -0.23 0.13 107.32 100.45 3dwt s GLY 38 Ca 0.26 1.61 -0.16 0.00 0.00 0.00 0.00 44.72 46.43 3dwt s GLY 38 CO 0.14 1.41 0.37 -0.98 0.00 0.00 0.00 173.10 174.04 3dwt s TRP 39 N 0.38 3.47 0.33 1.90 0.52 0.51 -1.89 118.94 124.17 3dwt s TRP 39 Ca -0.01 0.70 0.10 0.00 0.02 0.00 0.00 56.10 56.91 3dwt s TRP 39 Cb -0.04 -2.43 -0.06 0.00 -1.15 0.00 0.00 33.47 29.79 3dwt s TRP 39 CO -0.00 0.19 -0.12 -0.06 0.02 0.00 0.00 176.95 176.98 3dwt s PHE 40 N 0.59 2.36 0.19 -1.98 0.40 -0.43 -0.08 117.98 119.02 3dwt s PHE 40 Ca 0.20 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3dwt s PHE 40 Cb -0.14 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 3dwt s PHE 40 CO 0.06 0.61 0.17 -0.98 0.70 0.00 0.00 175.22 175.78 3dwt s ARG 41 N -3.59 1.18 -0.29 0.44 1.70 -0.41 0.68 118.95 118.66 3dwt s ARG 41 Ca 0.32 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 54.05 3dwt s ARG 41 Cb 0.01 0.30 0.16 0.00 -0.57 0.00 0.00 34.95 34.85 3dwt s ARG 41 CO 0.16 -0.40 0.56 -1.14 -1.08 0.00 0.00 175.30 173.41 3dwt s GLN 42 N -4.10 0.52 0.51 3.89 0.74 -0.56 -1.38 119.66 119.29 3dwt s GLN 42 Ca 0.31 1.03 -0.04 0.00 0.05 0.00 0.00 55.36 56.71 3dwt s GLN 42 Cb 0.06 0.45 -0.01 0.00 1.10 0.00 0.00 33.01 34.60 3dwt s GLN 42 CO 0.08 -0.52 0.80 0.00 -0.55 0.00 0.00 175.29 175.10 3dwt s ALA 43 N 2.81 3.45 -0.03 1.58 0.00 -1.26 -2.69 121.76 125.61 3dwt s ALA 43 Ca 0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 3dwt s ALA 43 Cb -0.14 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 3dwt s ALA 43 CO -0.19 -0.52 1.95 -2.14 0.00 0.00 0.00 175.76 174.85 3dwt s PRO 44 N -4.78 3.96 0.00 0.00 0.02 -1.26 -3.01 135.00 129.92 3dwt s PRO 44 Ca 0.50 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3dwt s PRO 44 Cb -0.10 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.25 3dwt s PRO 44 CO 0.43 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3dwt n GLY 45 N 4.70 2.75 3.75 0.52 0.00 -1.26 -5.04 105.19 110.61 3dwt n GLY 45 Ca 0.21 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 2.30 1.09 1.61 -0.21 -1.17 -5.03 119.66 118.25 3dwt s GLN 46 Ca 0.00 1.41 -0.18 0.00 0.02 0.00 0.00 55.36 56.61 3dwt s GLN 46 Cb 0.00 -1.89 0.26 0.00 1.00 0.00 0.00 33.01 32.38 3dwt s GLN 46 CO 0.00 -1.64 1.20 0.39 -2.12 0.00 0.00 175.29 173.12 3dwt n GLU 47 N -3.02 -2.18 -2.97 2.91 1.02 -1.26 -4.40 120.64 110.75 3dwt n GLU 47 Ca 0.11 -1.89 -0.41 0.00 -0.02 0.00 0.00 57.16 54.95 3dwt n GLU 47 Cb 0.52 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 3dwt n GLU 47 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3dwt s ARG 48 N -5.67 4.26 0.32 3.49 3.52 -1.26 -4.49 118.95 119.11 3dwt s ARG 48 Ca 0.73 0.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.28 3dwt s ARG 48 Cb -0.04 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 3dwt s ARG 48 CO 0.53 -0.32 0.13 -1.83 -0.81 0.00 0.00 175.30 173.00 3dwt s GLU 49 N 2.13 2.41 0.15 5.12 -1.05 -0.48 -4.88 118.70 122.10 3dwt s GLU 49 Ca 0.35 -1.49 -0.14 0.00 -0.15 0.00 0.00 54.97 53.54 3dwt s GLU 49 Cb -0.16 -2.21 -0.07 0.00 -0.44 0.00 0.00 34.13 31.25 3dwt s GLU 49 CO 0.11 0.17 0.54 0.00 0.95 0.00 0.00 175.26 177.03 3dwt s ALA 50 N -2.39 3.59 -0.08 -0.84 0.00 -1.26 -1.29 121.76 119.49 3dwt s ALA 50 Ca 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3dwt s ALA 50 Cb -0.04 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3dwt s ALA 50 CO 0.22 0.47 -0.09 0.28 0.00 0.00 0.00 175.76 176.64 3dwt n VAL 51 N 0.74 0.44 -3.53 0.00 0.31 0.88 -4.52 118.33 112.64 3dwt n VAL 51 Ca -0.05 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 3dwt n VAL 51 Cb 0.52 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.05 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 -2.15 -1.82 0.04 3.52 0.00 -0.86 -0.94 121.76 119.56 3dwt s ALA 52 Ca -0.11 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 3dwt s ALA 52 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3dwt s ALA 52 CO 0.15 -0.38 0.06 0.00 0.00 0.00 0.00 175.76 175.60 3dwt s ALA 53 N -1.33 0.07 -0.07 0.00 0.00 -0.67 0.19 121.76 119.95 3dwt s ALA 53 Ca -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3dwt s ALA 53 Cb -0.00 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3dwt s ALA 53 CO 0.06 -0.33 0.05 -1.50 0.00 0.00 0.00 175.76 174.03 3dwt s ILE 54 N -2.91 0.03 0.51 0.00 2.07 0.35 -2.00 121.20 119.25 3dwt s ILE 54 Ca -0.02 0.25 -0.18 0.00 -1.41 0.00 0.00 60.65 59.28 3dwt s ILE 54 Cb 0.01 -0.32 -0.08 0.00 0.13 0.00 0.00 42.46 42.20 3dwt s ILE 54 CO -0.06 0.13 1.01 0.00 -1.91 0.00 0.00 174.94 174.11 3dwt s ALA 55 N 2.11 2.94 1.00 1.50 0.00 -1.09 -0.80 121.76 127.42 3dwt s ALA 55 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3dwt s ALA 55 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3dwt s ALA 55 CO -0.04 -0.30 0.00 -1.13 0.00 0.00 0.00 175.76 174.28 3dwt n SER 56 N -1.32 -0.24 -1.49 0.00 3.41 -1.22 -1.81 113.62 110.96 3dwt n SER 56 Ca 0.08 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3dwt n SER 56 Cb 0.53 0.00 0.00 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 -0.85 -0.75 0.00 4.33 2.81 -1.24 -2.06 117.12 119.36 3dwt n MET 57 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dwt n MET 57 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -0.56 -0.18 1.73 3.03 0.00 -1.26 -5.05 105.19 102.90 3dwt n GLY 58 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.41 0.00 -0.02 0.00 -0.75 -5.00 105.19 101.83 3dwt n GLY 59 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3dwt n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dwt n LEU 60 N 0.00 0.00 -4.68 0.99 4.32 -1.26 -3.17 117.00 113.20 3dwt n LEU 60 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 3dwt n LEU 60 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 3dwt n LEU 60 CO 0.00 0.00 -0.33 0.42 -1.22 0.00 0.00 177.39 176.26 3dwt s THR 61 N 0.00 3.94 0.07 -5.08 -4.23 -1.26 -2.67 115.64 106.40 3dwt s THR 61 Ca 0.00 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 3dwt s THR 61 Cb 0.00 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3dwt s THR 61 CO 0.00 0.04 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.66 3dwt s TYR 62 N -1.45 1.28 0.05 3.99 1.51 -0.85 -5.01 117.35 116.88 3dwt s TYR 62 Ca 0.26 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 3dwt s TYR 62 Cb -0.11 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 3dwt s TYR 62 CO 0.19 0.07 -0.11 0.71 -1.11 0.00 0.00 175.55 175.29 3dwt s TYR 63 N -1.21 0.96 0.70 2.71 2.02 -1.26 -1.67 117.35 119.60 3dwt s TYR 63 Ca -0.01 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 3dwt s TYR 63 Cb -0.10 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3dwt s TYR 63 CO 0.02 -0.01 1.09 0.00 -1.57 0.00 0.00 175.55 175.09 3dwt s ALA 64 N -1.24 2.43 0.07 3.71 0.00 -0.12 -4.84 121.76 121.77 3dwt s ALA 64 Ca -0.05 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 3dwt s ALA 64 Cb -0.10 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 3dwt s ALA 64 CO 0.01 -1.41 1.60 -0.44 0.00 0.00 0.00 175.76 175.52 3dwt h ASP 65 N -0.42 -0.38 0.00 0.00 3.32 -1.92 -2.46 116.42 114.56 3dwt h ASP 65 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3dwt h ASP 65 Cb 1.24 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3dwt h ASP 65 CO 0.54 -0.22 0.51 0.77 -1.72 0.00 0.00 179.24 179.12 3dwt h SER 66 N -0.52 0.00 0.00 6.45 4.64 -1.98 -1.07 113.55 121.08 3dwt h SER 66 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3dwt h SER 66 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dwt h SER 66 CO 0.08 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.37 3dwt n VAL 67 N -2.50 0.18 -2.21 0.95 0.24 -1.08 -4.99 118.33 108.91 3dwt n VAL 67 Ca -0.01 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 61.30 3dwt n VAL 67 Cb 0.54 0.94 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.18 4.39 0.00 7.34 2.20 -0.41 -1.85 119.74 131.23 3dwt s LYS 68 Ca 0.00 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 3dwt s LYS 68 Cb 0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3dwt s LYS 68 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 3dwt n GLY 69 N 2.13 3.11 0.10 5.54 0.00 -1.26 -4.79 105.19 110.02 3dwt n GLY 69 Ca 0.05 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 3dwt n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwt n ARG 70 N 0.00 0.55 -2.67 1.61 1.74 -1.14 -4.96 116.66 111.79 3dwt n ARG 70 Ca 0.00 0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 57.20 3dwt n ARG 70 Cb 0.00 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 3dwt n ARG 70 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dwt s PHE 71 N -2.41 3.36 -0.21 -1.55 0.40 -0.77 -2.85 117.98 113.96 3dwt s PHE 71 Ca -0.28 1.67 -0.04 0.00 -0.60 0.00 0.00 56.93 57.68 3dwt s PHE 71 Cb 0.07 -3.00 0.09 0.00 0.51 0.00 0.00 43.02 40.69 3dwt s PHE 71 CO 0.49 -0.30 0.21 0.99 0.70 0.00 0.00 175.22 177.30 3dwt s THR 72 N -1.81 -0.29 -0.04 0.64 2.01 0.52 -4.88 115.64 111.80 3dwt s THR 72 Ca 0.58 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 3dwt s THR 72 Cb -0.17 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 3dwt s THR 72 CO 0.22 -0.25 0.31 -0.51 -0.69 0.00 0.00 174.62 173.70 3dwt s ILE 73 N 2.29 5.20 0.29 1.82 2.07 -1.25 -0.54 121.20 131.08 3dwt s ILE 73 Ca 0.06 0.60 -0.04 0.00 -1.41 0.00 0.00 60.65 59.86 3dwt s ILE 73 Cb -0.16 -3.60 -0.01 0.00 0.13 0.00 0.00 42.46 38.82 3dwt s ILE 73 CO -0.14 0.58 0.39 -0.94 -1.91 0.00 0.00 174.94 172.92 3dwt s SER 74 N -1.10 0.54 0.02 4.50 1.04 0.97 -4.97 113.70 114.70 3dwt s SER 74 Ca 0.21 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 55.26 3dwt s SER 74 Cb -0.15 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3dwt s SER 74 CO 0.10 -1.15 0.08 0.00 0.98 0.00 0.00 173.24 173.26 3dwt s ARG 75 N -3.57 0.50 -0.44 4.02 1.70 -1.26 -0.03 118.95 119.87 3dwt s ARG 75 Ca 0.31 -0.63 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 3dwt s ARG 75 Cb 0.01 0.20 0.13 0.00 -0.57 0.00 0.00 34.95 34.71 3dwt s ARG 75 CO 0.16 -0.12 0.21 0.34 -1.08 0.00 0.00 175.30 174.81 3dwt s ASP 76 N -1.78 4.06 0.45 -2.89 -1.08 0.13 -4.97 116.67 110.59 3dwt s ASP 76 Ca -0.10 -2.62 0.11 0.00 -0.52 0.00 0.00 52.55 49.43 3dwt s ASP 76 Cb -0.05 -1.31 1.03 0.00 -1.46 0.00 0.00 42.92 41.13 3dwt s ASP 76 CO -0.02 -0.28 2.08 0.78 0.52 0.00 0.00 175.17 178.24 3dwt h ASN 77 N 6.88 0.23 -0.27 -0.34 2.35 -1.96 0.68 115.58 123.15 3dwt h ASN 77 Ca -0.05 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3dwt h ASN 77 Cb 0.93 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3dwt h ASN 77 CO 0.56 0.20 0.06 0.00 -1.65 0.00 0.00 177.43 176.59 3dwt h ALA 78 N 1.84 0.35 -0.02 -0.83 0.00 -1.96 -2.98 119.26 115.66 3dwt h ALA 78 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dwt h ALA 78 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dwt h ALA 78 CO -0.01 0.02 -0.08 1.63 0.00 0.00 0.00 179.25 180.81 3dwt n LYS 79 N -4.69 1.59 -3.49 0.00 5.02 -0.88 -4.96 118.16 110.75 3dwt n LYS 79 Ca -0.03 -1.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.01 3dwt n LYS 79 Cb 0.19 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.21 -3.66 -3.85 4.39 4.13 0.22 -4.82 115.26 111.88 3dwt n ASN 80 Ca 0.16 -0.77 -0.12 0.00 1.68 0.00 0.00 54.58 55.53 3dwt n ASN 80 Cb 0.41 -4.57 -0.14 0.00 -1.54 0.00 0.00 39.78 33.93 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 -3.48 -0.01 -0.05 3.41 2.01 -0.51 -2.48 115.64 114.53 3dwt s THR 81 Ca 0.21 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 3dwt s THR 81 Cb -0.04 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 3dwt s THR 81 CO 0.78 0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 174.09 3dwt s VAL 82 N 0.16 4.70 -0.04 3.82 1.01 0.12 0.18 120.40 130.34 3dwt s VAL 82 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3dwt s VAL 82 Cb -0.02 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3dwt s VAL 82 CO -0.00 0.48 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 3dwt s THR 83 N -1.06 0.57 -0.20 3.92 2.01 0.96 -0.75 115.64 121.10 3dwt s THR 83 Ca 0.18 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 3dwt s THR 83 Cb -0.12 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.84 3dwt s THR 83 CO 0.08 0.22 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.86 3dwt s LEU 84 N 0.63 2.49 -0.42 4.42 2.96 -0.47 -0.02 118.68 128.26 3dwt s LEU 84 Ca -0.09 -0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 3dwt s LEU 84 Cb -0.12 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.07 3dwt s LEU 84 CO 0.00 -0.03 0.27 -1.58 -1.32 0.00 0.00 176.35 173.70 3dwt s GLN 85 N 1.33 2.75 -0.45 1.98 2.00 0.30 -1.13 119.66 126.43 3dwt s GLN 85 Ca 0.04 -1.33 -0.17 0.00 -2.00 0.00 0.00 55.36 51.90 3dwt s GLN 85 Cb -0.14 -3.84 0.04 0.00 0.80 0.00 0.00 33.01 29.87 3dwt s GLN 85 CO -0.09 -0.90 0.45 -1.64 -0.50 0.00 0.00 175.29 172.62 3dwt s MET 86 N 1.51 3.06 -0.11 1.67 -1.94 -0.74 -0.35 119.30 122.39 3dwt s MET 86 Ca 0.03 -0.96 -0.07 0.00 -1.71 0.00 0.00 55.69 52.98 3dwt s MET 86 Cb -0.22 -4.04 -0.02 0.00 2.01 0.00 0.00 34.83 32.56 3dwt s MET 86 CO 0.04 -0.97 -0.13 -0.91 -0.01 0.00 0.00 175.02 173.04 3dwt h ASN 87 N 8.78 0.00 -2.49 3.03 2.35 -1.80 -2.10 115.58 123.35 3dwt h ASN 87 Ca -0.27 0.00 -0.79 0.00 -0.55 0.00 0.00 56.30 54.69 3dwt h ASN 87 Cb 1.11 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.24 3dwt h ASN 87 CO 0.85 0.61 1.15 -3.20 -1.65 0.00 0.00 177.43 175.19 3dwt n ASN 88 N -4.24 5.84 -4.74 5.81 2.85 -1.26 -3.67 115.26 115.85 3dwt n ASN 88 Ca -0.05 -3.25 -0.42 0.00 -0.11 0.00 0.00 54.58 50.75 3dwt n ASN 88 Cb 0.20 -1.37 -0.02 0.00 1.24 0.00 0.00 39.78 39.83 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 -1.52 4.35 0.15 1.20 1.43 -1.09 -4.71 118.68 118.51 3dwt s LEU 89 Ca 0.34 2.92 0.10 0.00 -1.03 0.00 0.00 54.13 56.46 3dwt s LEU 89 Cb 0.04 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3dwt s LEU 89 CO 0.05 -0.94 -0.23 -0.54 0.23 0.00 0.00 176.35 174.91 3dwt s LYS 90 N 0.22 1.36 0.63 1.70 1.02 -1.26 -0.43 119.74 122.98 3dwt s LYS 90 Ca 0.68 -1.38 0.27 0.00 0.02 0.00 0.00 55.97 55.55 3dwt s LYS 90 Cb -0.49 -1.67 1.38 0.00 -0.52 0.00 0.00 37.83 36.53 3dwt s LYS 90 CO 0.41 0.37 1.79 -1.35 -0.92 0.00 0.00 175.35 175.66 3dwt h PRO 91 N 3.57 0.00 0.00 -1.68 0.11 -1.93 0.76 132.00 132.82 3dwt h PRO 91 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dwt h PRO 91 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dwt h PRO 91 CO 0.44 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.16 3dwt h GLU 92 N 0.00 0.00 0.00 1.05 4.39 -1.95 -1.78 114.58 116.29 3dwt h GLU 92 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3dwt h GLU 92 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3dwt h GLU 92 CO -0.00 0.00 -0.27 -0.44 -1.16 0.00 0.00 179.01 177.13 3dwt h ASP 93 N 0.00 0.00 -2.18 1.42 3.45 0.15 -3.46 116.42 115.80 3dwt h ASP 93 Ca 0.00 -0.06 -0.58 0.00 0.43 0.00 0.00 57.03 56.82 3dwt h ASP 93 Cb 0.41 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.20 3dwt h ASP 93 CO 0.00 0.03 1.16 0.41 -1.57 0.00 0.00 179.24 179.26 3dwt n THR 94 N -2.45 0.65 0.00 0.35 -1.04 -0.67 -4.85 114.28 106.28 3dwt n THR 94 Ca 0.04 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3dwt n THR 94 Cb 0.47 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 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 6.96 0.00 -2.62 2.41 0.00 -0.24 -4.63 120.51 122.39 3dwt n ALA 95 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3dwt n ALA 95 Cb 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.00 5.19 -0.20 0.00 2.07 -1.10 -1.39 121.20 123.78 3dwt s ILE 96 Ca 0.00 0.55 -0.15 0.00 -1.41 0.00 0.00 60.65 59.64 3dwt s ILE 96 Cb 0.00 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.86 3dwt s ILE 96 CO 0.00 0.18 0.34 -0.31 -1.91 0.00 0.00 174.94 173.25 3dwt s TYR 97 N 1.89 3.38 0.11 3.50 1.51 -0.20 -1.50 117.35 126.05 3dwt s TYR 97 Ca 0.15 0.55 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 3dwt s TYR 97 Cb -0.16 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 3dwt s TYR 97 CO 0.09 0.05 0.16 0.71 -1.11 0.00 0.00 175.55 175.45 3dwt s TYR 98 N 1.12 3.30 -0.03 2.71 2.02 0.21 -1.89 117.35 124.79 3dwt s TYR 98 Ca 0.17 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 3dwt s TYR 98 Cb -0.14 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3dwt s TYR 98 CO 0.07 0.53 0.05 0.00 -1.57 0.00 0.00 175.55 174.64 3dwt s ALA 100 N -1.09 -0.46 -0.02 0.00 0.00 -0.79 0.29 121.76 119.69 3dwt s ALA 100 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 3dwt s ALA 100 Cb -0.12 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3dwt s ALA 100 CO 0.09 -0.30 0.30 0.00 0.00 0.00 0.00 175.76 175.85 3dwt s ALA 101 N -2.00 -0.74 -0.06 0.00 0.00 0.15 -1.07 121.76 118.04 3dwt s ALA 101 Ca -0.09 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 3dwt s ALA 101 Cb -0.04 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3dwt s ALA 101 CO -0.01 -0.24 0.19 0.54 0.00 0.00 0.00 175.76 176.24 3dwt s VAL 102 N -1.16 0.02 -1.20 0.00 0.11 -0.67 -0.38 120.40 117.11 3dwt s VAL 102 Ca -0.12 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 3dwt s VAL 102 Cb -0.05 -0.32 0.07 0.00 -1.53 0.00 0.00 36.38 34.55 3dwt s VAL 102 CO 0.04 -0.07 1.63 -0.60 -3.33 0.00 0.00 175.10 172.76 3dwt s ARG 103 N -0.20 3.87 0.00 1.54 3.52 -1.26 -1.26 118.95 125.15 3dwt s ARG 103 Ca -0.03 -1.76 0.00 0.00 -0.13 0.00 0.00 55.73 53.81 3dwt s ARG 103 Cb -0.03 -5.45 0.00 0.00 -1.56 0.00 0.00 34.95 27.91 3dwt s ARG 103 CO 0.01 -2.21 0.00 0.41 -0.81 0.00 0.00 175.30 172.69 3dwt n GLY 104 N 5.80 1.91 3.34 8.12 0.00 -1.19 -4.99 105.19 118.18 3dwt n GLY 104 Ca 0.43 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.91 -0.30 0.05 1.61 5.04 -1.26 -4.14 117.35 117.43 3dwt s TYR 105 Ca 0.00 0.03 -0.27 0.00 -2.44 0.00 0.00 57.07 54.39 3dwt s TYR 105 Cb 0.00 0.33 0.08 0.00 0.35 0.00 0.00 41.96 42.72 3dwt s TYR 105 CO 0.00 -0.73 0.70 -0.59 -1.34 0.00 0.00 175.55 173.59 3dwt s PHE 106 N -3.68 -0.54 -0.57 4.97 -0.12 -1.26 -5.07 117.98 111.72 3dwt s PHE 106 Ca 0.02 0.59 0.14 0.00 -0.05 0.00 0.00 56.93 57.63 3dwt s PHE 106 Cb 0.01 0.50 0.44 0.00 -0.63 0.00 0.00 43.02 43.34 3dwt s PHE 106 CO -0.11 -0.69 1.36 -1.33 -0.05 0.00 0.00 175.22 174.40 3dwt n MET 107 N 0.13 2.98 -3.73 1.99 2.81 -1.26 -4.82 117.12 115.23 3dwt n MET 107 Ca -0.16 -2.49 -0.10 0.00 -1.81 0.00 0.00 57.70 53.14 3dwt n MET 107 Cb 0.61 -1.60 -0.04 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 -1.95 1.36 -0.36 0.03 3.03 -1.26 -5.08 118.95 114.72 3dwt s ARG 108 Ca 0.34 -0.85 -0.28 0.00 2.03 0.00 0.00 55.73 56.98 3dwt s ARG 108 Cb 0.24 0.52 -0.07 0.00 -1.03 0.00 0.00 34.95 34.62 3dwt s ARG 108 CO 0.13 -0.57 2.32 -0.11 -1.13 0.00 0.00 175.30 175.93 3dwt n LEU 109 N -0.33 2.73 0.00 -1.89 -0.00 -1.26 -4.91 117.00 111.33 3dwt n LEU 109 Ca -0.10 -0.09 -0.28 0.00 -0.00 0.00 0.00 56.01 55.53 3dwt n LEU 109 Cb 0.63 -1.54 0.26 0.00 -0.00 0.00 0.00 43.42 42.77 3dwt n LEU 109 CO 0.17 -1.08 0.35 -0.81 -0.00 0.00 0.00 177.39 176.03 3dwt n PRO 110 N 8.84 -4.37 -4.50 1.96 -0.04 -1.26 -5.08 135.00 130.54 3dwt n PRO 110 Ca 0.34 -1.37 -0.28 0.00 -0.04 0.00 0.00 63.50 62.15 3dwt n PRO 110 Cb 0.47 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 3dwt n PRO 110 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dwt s SER 111 N -3.20 4.09 0.29 3.54 1.04 -1.26 -4.82 113.70 113.39 3dwt s SER 111 Ca 0.61 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.72 3dwt s SER 111 Cb -0.10 -0.20 0.65 0.00 0.10 0.00 0.00 66.02 66.48 3dwt s SER 111 CO 0.51 -0.58 1.79 0.28 0.98 0.00 0.00 173.24 176.21 3dwt h SER 112 N 1.56 0.78 0.20 7.02 0.02 -1.96 -2.06 113.55 119.11 3dwt h SER 112 Ca -0.43 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3dwt h SER 112 Cb 1.26 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 3dwt h SER 112 CO 0.76 0.32 -0.08 0.45 -1.14 0.00 0.00 176.83 177.14 3dwt h HIS 113 N 0.80 0.00 0.00 3.45 3.86 -2.00 -2.87 115.15 118.39 3dwt h HIS 113 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 3dwt h HIS 113 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3dwt h HIS 113 CO -0.02 0.08 0.00 0.09 0.86 0.00 0.00 177.93 178.94 3dwt n ASN 114 N -3.81 0.54 -4.86 2.45 3.02 -0.77 -4.82 115.26 107.00 3dwt n ASN 114 Ca -0.02 0.58 -0.27 0.00 -0.03 0.00 0.00 54.58 54.83 3dwt n ASN 114 Cb 0.18 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.13 3.32 -0.02 3.10 0.40 -1.08 -4.78 117.98 115.78 3dwt s PHE 115 Ca 0.09 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 3dwt s PHE 115 Cb 0.12 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 3dwt s PHE 115 CO 0.49 0.53 0.00 2.89 0.70 0.00 0.00 175.22 179.83 3dwt n ARG 116 N -0.25 3.29 -3.75 0.44 1.85 -1.01 -4.98 116.66 112.25 3dwt n ARG 116 Ca -0.07 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.42 3dwt n ARG 116 Cb 0.54 -1.06 -0.07 0.00 -1.05 0.00 0.00 32.46 30.81 3dwt n ARG 116 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3dwt s TYR 117 N -2.06 3.47 0.13 2.89 4.12 0.48 -4.98 117.35 121.41 3dwt s TYR 117 Ca -0.01 0.42 0.05 0.00 0.02 0.00 0.00 57.07 57.54 3dwt s TYR 117 Cb 0.01 -2.12 -0.04 0.00 -1.52 0.00 0.00 41.96 38.29 3dwt s TYR 117 CO 0.09 0.41 -0.12 -1.58 0.02 0.00 0.00 175.55 174.37 3dwt s TRP 118 N -0.02 1.32 0.57 2.71 0.52 -1.26 -0.68 118.94 122.09 3dwt s TRP 118 Ca 0.11 -0.62 -0.01 0.00 0.02 0.00 0.00 56.10 55.59 3dwt s TRP 118 Cb -0.12 -0.68 0.11 0.00 -1.15 0.00 0.00 33.47 31.64 3dwt s TRP 118 CO 0.00 0.11 0.78 0.41 0.02 0.00 0.00 176.95 178.27 3dwt n GLY 119 N 0.32 0.45 1.09 0.98 0.00 0.14 -4.09 105.19 104.09 3dwt n GLY 119 Ca -0.14 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.46 2.95 0.00 1.61 6.02 -1.26 -4.69 117.38 119.55 3dwt n GLN 120 Ca 0.12 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3dwt n GLN 120 Cb 0.44 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.19 3dwt n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dwt n GLY 121 N 1.01 2.12 3.26 1.08 0.00 -1.26 -5.05 105.19 106.36 3dwt n GLY 121 Ca 0.20 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.83 -0.79 0.18 2.61 2.01 -0.79 -4.81 115.64 111.23 3dwt s THR 122 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3dwt s THR 122 Cb 0.00 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 3dwt s THR 122 CO 0.00 0.00 1.28 -1.58 -0.69 0.00 0.00 174.62 173.63 3dwt s GLN 123 N 2.71 4.41 -0.09 4.92 2.00 -1.26 -1.03 119.66 131.33 3dwt s GLN 123 Ca 0.04 2.00 -0.01 0.00 -2.00 0.00 0.00 55.36 55.39 3dwt s GLN 123 Cb -0.13 -3.22 0.03 0.00 0.80 0.00 0.00 33.01 30.49 3dwt s GLN 123 CO -0.16 -0.22 -0.04 0.08 -0.50 0.00 0.00 175.29 174.45 3dwt s VAL 124 N 0.16 0.70 -0.21 1.34 1.01 -0.48 -1.80 120.40 121.12 3dwt s VAL 124 Ca 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.45 3dwt s VAL 124 Cb -0.35 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3dwt s VAL 124 CO 0.37 0.31 -0.11 -0.89 0.00 0.00 0.00 175.10 174.77 3dwt s THR 125 N 1.71 1.76 -0.17 3.92 2.01 -0.32 -1.07 115.64 123.48 3dwt s THR 125 Ca 0.03 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 3dwt s THR 125 Cb -0.13 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3dwt s THR 125 CO -0.06 0.18 0.00 -0.69 -0.69 0.00 0.00 174.62 173.36 3dwt s VAL 126 N 1.34 4.21 0.19 3.82 1.01 -1.25 0.48 120.40 130.20 3dwt s VAL 126 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3dwt s VAL 126 Cb -0.16 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3dwt s VAL 126 CO -0.08 0.47 -0.14 -0.94 0.00 0.00 0.00 175.10 174.41 3dwt s SER 127 N 0.47 2.42 0.65 3.32 1.04 -0.70 -4.42 113.70 116.48 3dwt s SER 127 Ca -0.01 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.27 3dwt s SER 127 Cb -0.14 -0.11 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 3dwt s SER 127 CO 0.02 -0.18 1.18 -0.55 0.98 0.00 0.00 173.24 174.69 3dwt s SER 128 N -3.18 4.85 0.00 7.02 0.15 -1.26 -1.49 113.70 119.79 3dwt s SER 128 Ca 0.20 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.12 3dwt s SER 128 Cb -0.01 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3dwt s SER 128 CO 0.06 -1.82 0.00 -2.11 1.20 0.00 0.00 173.24 170.57