#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 0.78 -0.11 7.34 -2.07 -1.24 -5.00 119.66 119.36 3dwt s GLN 3 Ca 0.00 -0.33 0.03 0.00 -1.82 0.00 0.00 55.36 53.24 3dwt s GLN 3 Cb 0.00 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 3dwt s GLN 3 CO 0.00 -0.24 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.02 3dwt s LEU 4 N -1.73 1.97 -0.12 2.60 1.43 -1.26 -2.31 118.68 119.26 3dwt s LEU 4 Ca -0.09 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3dwt s LEU 4 Cb -0.03 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3dwt s LEU 4 CO 0.00 0.10 -0.01 -0.69 0.23 0.00 0.00 176.35 175.98 3dwt s VAL 5 N 0.62 4.19 -0.38 -1.59 1.01 -0.68 -4.18 120.40 119.39 3dwt s VAL 5 Ca -0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3dwt s VAL 5 Cb -0.17 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.48 3dwt s VAL 5 CO 0.04 0.54 0.18 -1.61 0.00 0.00 0.00 175.10 174.25 3dwt s GLU 6 N -0.25 2.55 0.88 2.72 2.02 -1.26 -1.61 118.70 123.75 3dwt s GLU 6 Ca 0.05 -1.36 -0.10 0.00 0.02 0.00 0.00 54.97 53.58 3dwt s GLU 6 Cb -0.12 -3.61 0.18 0.00 0.10 0.00 0.00 34.13 30.68 3dwt s GLU 6 CO 0.02 -0.83 1.21 -1.54 0.02 0.00 0.00 175.26 174.14 3dwt s SER 7 N 1.75 3.49 0.22 -0.19 1.04 0.39 -4.92 113.70 115.49 3dwt s SER 7 Ca 0.01 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3dwt s SER 7 Cb -0.21 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.81 3dwt s SER 7 CO 0.02 -2.46 0.00 0.61 0.98 0.00 0.00 173.24 172.39 3dwt n GLY 8 N -3.44 -1.79 0.00 7.32 0.00 -1.26 -2.28 105.19 103.73 3dwt n GLY 8 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.08 2.79 0.00 -0.02 0.00 -1.26 -4.85 105.19 98.77 3dwt n GLY 9 Ca -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.22 0.72 3.52 -0.02 0.00 -0.78 -5.03 105.19 103.81 3dwt n GLY 10 Ca 0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 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 4.70 0.08 1.61 1.04 -1.26 -0.64 113.70 115.23 3dwt s SER 11 Ca 0.00 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3dwt s SER 11 Cb 0.00 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 3dwt s SER 11 CO 0.00 0.23 -0.06 0.54 0.98 0.00 0.00 173.24 174.94 3dwt s VAL 12 N -0.03 0.56 0.15 5.02 0.11 0.24 -4.94 120.40 121.51 3dwt s VAL 12 Ca 0.01 -1.80 -0.21 0.00 -2.93 0.00 0.00 61.98 57.04 3dwt s VAL 12 Cb -0.13 -1.51 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 3dwt s VAL 12 CO 0.03 -0.85 0.68 -1.58 -3.33 0.00 0.00 175.10 170.05 3dwt s GLN 13 N -3.58 4.32 0.18 1.54 0.74 -1.26 -1.54 119.66 120.05 3dwt s GLN 13 Ca 0.08 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.08 3dwt s GLN 13 Cb 0.04 -3.12 -0.17 0.00 1.10 0.00 0.00 33.01 30.86 3dwt s GLN 13 CO -0.05 0.54 0.67 0.00 -0.55 0.00 0.00 175.29 175.90 3dwt n ALA 14 N 1.33 -2.66 0.00 1.58 0.00 -0.11 0.12 120.51 120.76 3dwt n ALA 14 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3dwt n ALA 14 Cb 0.50 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.86 2.61 3.85 0.00 0.00 0.11 -4.98 105.19 108.64 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 -1.90 1.63 0.52 -0.02 0.00 0.12 -4.53 107.32 103.14 3dwt s GLY 16 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 44.72 44.54 3dwt s GLY 16 CO 0.00 0.12 0.72 -0.45 0.00 0.00 0.00 173.10 173.49 3dwt s SER 17 N -4.17 5.28 0.00 1.64 0.15 -1.24 -2.80 113.70 112.56 3dwt s SER 17 Ca 0.59 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3dwt s SER 17 Cb -0.12 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 3dwt s SER 17 CO 0.53 -1.14 0.00 -0.11 1.20 0.00 0.00 173.24 173.72 3dwt n LEU 18 N -2.13 0.00 -4.37 3.45 0.00 -0.80 -4.95 117.00 108.20 3dwt n LEU 18 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.76 3dwt n LEU 18 Cb 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.90 3dwt n LEU 18 CO 0.40 0.00 -0.27 -0.60 0.00 0.00 0.00 177.39 176.92 3dwt s ARG 19 N 0.00 3.20 0.16 1.96 3.52 -1.26 -1.87 118.95 124.66 3dwt s ARG 19 Ca 0.00 -0.79 -0.19 0.00 -0.13 0.00 0.00 55.73 54.63 3dwt s ARG 19 Cb 0.00 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 3dwt s ARG 19 CO 0.00 -0.41 0.64 -0.51 -0.81 0.00 0.00 175.30 174.22 3dwt s LEU 20 N 1.53 4.41 0.04 -0.88 1.43 0.15 -4.34 118.68 121.02 3dwt s LEU 20 Ca 0.03 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 3dwt s LEU 20 Cb -0.17 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3dwt s LEU 20 CO 0.03 0.13 -0.13 -0.55 0.23 0.00 0.00 176.35 176.05 3dwt s SER 21 N -1.50 1.57 -0.03 2.29 0.15 -0.97 -1.04 113.70 114.18 3dwt s SER 21 Ca 0.38 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.58 3dwt s SER 21 Cb -0.17 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 3dwt s SER 21 CO 0.20 0.02 -0.01 0.00 1.20 0.00 0.00 173.24 174.65 3dwt s THR 23 N 0.83 1.56 -0.15 0.00 2.01 -0.63 0.01 115.64 119.27 3dwt s THR 23 Ca -0.09 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 3dwt s THR 23 Cb -0.12 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3dwt s THR 23 CO -0.01 0.45 0.47 0.00 -0.69 0.00 0.00 174.62 174.84 3dwt s ALA 24 N 0.60 3.50 0.25 7.40 0.00 -1.00 -1.69 121.76 130.82 3dwt s ALA 24 Ca -0.15 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 51.64 3dwt s ALA 24 Cb -0.16 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3dwt s ALA 24 CO 0.05 -0.12 -0.18 -1.54 0.00 0.00 0.00 175.76 173.97 3dwt s SER 25 N 0.77 3.23 -0.02 0.00 1.04 -0.98 -4.90 113.70 112.84 3dwt s SER 25 Ca 0.24 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 3dwt s SER 25 Cb -0.15 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.73 3dwt s SER 25 CO 0.09 -0.02 0.03 0.61 0.98 0.00 0.00 173.24 174.93 3dwt n GLY 26 N -0.47 -0.65 0.00 7.32 0.00 -1.26 -3.66 105.19 106.47 3dwt n GLY 26 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 2.41 3.18 2.40 -0.02 0.00 -1.26 -4.48 105.19 107.42 3dwt n GLY 27 Ca -0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 1.07 -4.90 1.61 3.41 -1.26 -5.15 113.62 108.40 3dwt n SER 28 Ca 0.00 -2.88 -0.32 0.00 -0.26 0.00 0.00 58.87 55.41 3dwt n SER 28 Cb 0.00 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.72 6.43 0.00 4.04 0.15 -1.26 -5.19 113.70 115.15 3dwt s SER 31 Ca 0.34 0.44 -0.23 0.00 0.70 0.00 0.00 55.95 57.19 3dwt s SER 31 Cb 0.40 -2.03 -0.18 0.00 -1.71 0.00 0.00 66.02 62.50 3dwt s SER 31 CO -0.03 0.16 1.28 0.22 1.20 0.00 0.00 173.24 176.07 3dwt h TYR 32 N 3.23 0.22 0.00 3.44 3.20 -1.99 -2.99 116.97 122.09 3dwt h TYR 32 Ca -0.47 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3dwt h TYR 32 Cb 1.17 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3dwt h TYR 32 CO 0.63 0.65 0.11 -1.13 -1.64 0.00 0.00 178.16 176.78 3dwt n SER 33 N -4.69 0.00 0.08 -2.11 3.41 -1.26 -0.35 113.62 108.71 3dwt n SER 33 Ca -0.07 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 3dwt n SER 33 Cb 0.32 -0.21 0.24 0.00 -0.26 0.00 0.00 64.21 64.31 3dwt n SER 33 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dwt h THR 34 N 0.00 0.00 -1.94 6.66 2.02 -1.92 -3.39 112.91 114.34 3dwt h THR 34 Ca 0.00 -0.52 -0.44 0.00 0.77 0.00 0.00 66.41 66.22 3dwt h THR 34 Cb 0.22 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3dwt h THR 34 CO 0.00 0.00 -0.27 -0.36 0.37 0.00 0.00 175.52 175.26 3dwt s PHE 35 N -3.15 3.07 -0.07 3.16 0.40 0.53 -3.42 117.98 118.51 3dwt s PHE 35 Ca 0.07 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 3dwt s PHE 35 Cb 0.13 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.52 3dwt s PHE 35 CO 0.68 -0.17 -0.16 -1.12 0.70 0.00 0.00 175.22 175.15 3dwt s SER 36 N -4.22 2.13 0.19 1.36 0.01 -0.79 -3.10 113.70 109.28 3dwt s SER 36 Ca 0.48 -0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.47 3dwt s SER 36 Cb -0.10 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 3dwt s SER 36 CO 0.33 0.09 -0.13 -0.76 0.41 0.00 0.00 173.24 173.19 3dwt s LEU 37 N 0.42 2.85 -0.13 2.44 1.43 0.23 -2.26 118.68 123.66 3dwt s LEU 37 Ca -0.12 -0.66 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 3dwt s LEU 37 Cb -0.15 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3dwt s LEU 37 CO 0.04 0.10 0.50 -0.83 0.23 0.00 0.00 176.35 176.39 3dwt s GLY 38 N -2.85 -0.37 -0.21 -3.19 0.00 0.31 0.13 107.32 101.14 3dwt s GLY 38 Ca 0.24 1.18 -0.10 0.00 0.00 0.00 0.00 44.72 46.04 3dwt s GLY 38 CO 0.14 0.95 0.13 -0.98 0.00 0.00 0.00 173.10 173.35 3dwt s TRP 39 N -0.32 3.36 0.41 1.90 0.52 0.35 -1.52 118.94 123.64 3dwt s TRP 39 Ca -0.05 0.27 0.07 0.00 0.02 0.00 0.00 56.10 56.41 3dwt s TRP 39 Cb -0.03 -2.19 -0.07 0.00 -1.15 0.00 0.00 33.47 30.03 3dwt s TRP 39 CO 0.03 0.20 0.09 -0.06 0.02 0.00 0.00 176.95 177.23 3dwt s PHE 40 N 0.60 2.56 0.20 -1.98 0.40 -0.25 -0.18 117.98 119.34 3dwt s PHE 40 Ca 0.07 -0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.70 3dwt s PHE 40 Cb -0.12 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3dwt s PHE 40 CO 0.00 0.33 0.32 -0.98 0.70 0.00 0.00 175.22 175.60 3dwt s ARG 41 N -3.80 1.32 -0.28 0.44 1.70 -0.41 -0.47 118.95 117.46 3dwt s ARG 41 Ca 0.38 -1.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.22 3dwt s ARG 41 Cb 0.07 0.39 0.12 0.00 -0.57 0.00 0.00 34.95 34.96 3dwt s ARG 41 CO 0.20 -0.50 0.60 -1.14 -1.08 0.00 0.00 175.30 173.38 3dwt s GLN 42 N -4.04 0.53 0.36 3.89 0.74 -0.61 -1.72 119.66 118.81 3dwt s GLN 42 Ca 0.25 1.37 0.04 0.00 0.05 0.00 0.00 55.36 57.07 3dwt s GLN 42 Cb 0.03 0.77 -0.01 0.00 1.10 0.00 0.00 33.01 34.89 3dwt s GLN 42 CO 0.06 -0.21 0.52 0.00 -0.55 0.00 0.00 175.29 175.11 3dwt s ALA 43 N 2.84 4.03 -0.09 1.58 0.00 -1.26 -2.12 121.76 126.74 3dwt s ALA 43 Ca -0.05 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 3dwt s ALA 43 Cb -0.12 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 3dwt s ALA 43 CO -0.18 -0.10 1.99 -2.14 0.00 0.00 0.00 175.76 175.33 3dwt s PRO 44 N -4.27 3.75 0.00 0.00 0.02 -1.26 -3.11 135.00 130.13 3dwt s PRO 44 Ca 0.44 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3dwt s PRO 44 Cb -0.10 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3dwt s PRO 44 CO 0.33 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.02 3dwt n GLY 45 N 4.95 2.34 3.63 0.52 0.00 -1.26 -5.05 105.19 110.32 3dwt n GLY 45 Ca 0.23 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.57 0.66 1.61 -0.21 -1.18 -5.03 119.66 116.09 3dwt s GLN 46 Ca 0.00 1.31 -0.11 0.00 0.02 0.00 0.00 55.36 56.58 3dwt s GLN 46 Cb 0.00 -1.69 0.15 0.00 1.00 0.00 0.00 33.01 32.47 3dwt s GLN 46 CO 0.00 -2.86 0.90 0.39 -2.12 0.00 0.00 175.29 171.60 3dwt n GLU 47 N -4.37 -0.85 -3.03 2.91 1.02 -1.26 -4.44 120.64 110.62 3dwt n GLU 47 Ca 0.09 -1.42 -0.42 0.00 -0.02 0.00 0.00 57.16 55.40 3dwt n GLU 47 Cb 0.53 -0.92 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 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 -4.96 3.89 0.27 3.49 3.52 -1.26 -4.44 118.95 119.47 3dwt s ARG 48 Ca 0.51 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.58 3dwt s ARG 48 Cb -0.01 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 3dwt s ARG 48 CO 0.36 -0.65 0.23 -1.83 -0.81 0.00 0.00 175.30 172.60 3dwt s GLU 49 N 2.80 2.90 0.20 5.12 -1.05 -0.70 -4.84 118.70 123.13 3dwt s GLU 49 Ca 0.29 -1.10 -0.16 0.00 -0.15 0.00 0.00 54.97 53.84 3dwt s GLU 49 Cb -0.14 -2.56 -0.08 0.00 -0.44 0.00 0.00 34.13 30.91 3dwt s GLU 49 CO 0.13 0.32 0.63 0.00 0.95 0.00 0.00 175.26 177.29 3dwt s ALA 50 N -2.17 3.49 -0.12 -0.84 0.00 -1.26 -1.28 121.76 119.57 3dwt s ALA 50 Ca 0.35 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 3dwt s ALA 50 Cb -0.07 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 3dwt s ALA 50 CO 0.26 0.40 -0.17 0.28 0.00 0.00 0.00 175.76 176.53 3dwt n VAL 51 N 0.54 0.79 -3.48 0.00 0.31 0.75 -4.51 118.33 112.73 3dwt n VAL 51 Ca -0.03 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 3dwt n VAL 51 Cb 0.52 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.26 -1.70 0.08 3.52 0.00 -0.86 -0.11 121.76 120.43 3dwt s ALA 52 Ca -0.17 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 3dwt s ALA 52 Cb 0.06 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 3dwt s ALA 52 CO 0.22 -0.56 0.16 0.00 0.00 0.00 0.00 175.76 175.59 3dwt s ALA 53 N -2.39 -0.15 -0.10 0.00 0.00 -0.08 0.13 121.76 119.19 3dwt s ALA 53 Ca -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3dwt s ALA 53 Cb -0.00 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.59 3dwt s ALA 53 CO -0.01 -0.47 0.15 -1.50 0.00 0.00 0.00 175.76 173.93 3dwt s ILE 54 N -3.65 -0.23 0.70 0.00 2.07 0.34 -2.11 121.20 118.32 3dwt s ILE 54 Ca 0.03 0.27 -0.11 0.00 -1.41 0.00 0.00 60.65 59.43 3dwt s ILE 54 Cb 0.04 -0.34 0.01 0.00 0.13 0.00 0.00 42.46 42.30 3dwt s ILE 54 CO -0.10 0.07 1.07 0.00 -1.91 0.00 0.00 174.94 174.07 3dwt s ALA 55 N 2.27 2.75 0.93 1.50 0.00 -1.07 -0.60 121.76 127.52 3dwt s ALA 55 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3dwt s ALA 55 Cb -0.13 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3dwt s ALA 55 CO -0.06 -1.17 0.00 -1.13 0.00 0.00 0.00 175.76 173.40 3dwt n SER 56 N -3.07 0.00 -3.27 0.00 3.41 -1.18 -3.04 113.62 106.47 3dwt n SER 56 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.48 3dwt n SER 56 Cb 0.55 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.00 -1.58 -2.54 4.33 2.81 -1.26 -0.88 117.12 118.00 3dwt n MET 57 Ca 0.00 1.41 -0.06 0.00 -1.81 0.00 0.00 57.70 57.24 3dwt n MET 57 Cb 0.00 -2.39 -0.00 0.00 -0.71 0.00 0.00 33.22 30.12 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 0.34 -0.50 0.00 3.03 0.00 -1.26 -4.40 105.19 102.40 3dwt n GLY 58 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.64 0.00 4.01 -0.02 0.00 -0.06 -4.99 105.19 103.50 3dwt n GLY 59 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 3.12 -0.02 0.99 1.43 -1.25 -4.80 118.68 118.14 3dwt s LEU 60 Ca 0.00 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3dwt s LEU 60 Cb 0.00 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3dwt s LEU 60 CO 0.00 -1.48 -0.14 0.42 0.23 0.00 0.00 176.35 175.38 3dwt s THR 61 N -2.84 1.14 -0.02 5.49 -4.23 -1.26 -2.61 115.64 111.30 3dwt s THR 61 Ca 0.63 -0.60 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 3dwt s THR 61 Cb -0.06 -0.96 -0.00 0.00 1.34 0.00 0.00 72.50 72.81 3dwt s THR 61 CO 0.41 0.33 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.40 3dwt s TYR 62 N -0.19 1.02 0.03 3.99 1.51 -0.90 -5.01 117.35 117.81 3dwt s TYR 62 Ca 0.03 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3dwt s TYR 62 Cb -0.07 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 3dwt s TYR 62 CO 0.00 -0.08 -0.13 0.71 -1.11 0.00 0.00 175.55 174.95 3dwt s TYR 63 N 0.02 1.11 0.86 2.71 2.02 -1.26 -0.90 117.35 121.91 3dwt s TYR 63 Ca -0.01 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 3dwt s TYR 63 Cb -0.07 -0.67 0.11 0.00 -0.40 0.00 0.00 41.96 40.93 3dwt s TYR 63 CO 0.00 0.01 1.13 0.00 -1.57 0.00 0.00 175.55 175.13 3dwt s ALA 64 N -0.77 1.77 0.04 3.71 0.00 0.85 -4.80 121.76 122.56 3dwt s ALA 64 Ca 0.01 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 3dwt s ALA 64 Cb -0.07 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 3dwt s ALA 64 CO 0.01 -2.39 1.49 -0.44 0.00 0.00 0.00 175.76 174.43 3dwt h ASP 65 N -1.52 -0.22 0.00 0.00 3.32 -1.92 -2.68 116.42 113.40 3dwt h ASP 65 Ca -0.44 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3dwt h ASP 65 Cb 1.26 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3dwt h ASP 65 CO 0.45 0.01 0.27 -1.54 -1.72 0.00 0.00 179.24 176.70 3dwt n SER 66 N -5.12 0.16 0.00 6.45 3.41 -1.26 -1.42 113.62 115.83 3dwt n SER 66 Ca -0.09 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3dwt n SER 66 Cb 0.19 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3dwt n SER 66 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dwt n VAL 67 N -1.65 0.01 -2.17 -3.33 0.24 -1.13 -5.01 118.33 105.30 3dwt n VAL 67 Ca -0.00 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 3dwt n VAL 67 Cb 0.28 1.28 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.01 4.40 0.00 7.34 2.20 -0.51 -1.79 119.74 131.37 3dwt s LYS 68 Ca 0.00 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3dwt s LYS 68 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3dwt s LYS 68 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3dwt n GLY 69 N 0.87 2.95 0.09 5.54 0.00 -1.26 -4.78 105.19 108.60 3dwt n GLY 69 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 0.52 -2.66 1.61 1.74 -1.11 -4.96 116.66 111.80 3dwt n ARG 70 Ca 0.00 0.40 -0.37 0.00 -0.77 0.00 0.00 57.85 57.10 3dwt n ARG 70 Cb 0.00 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.51 3.55 -0.15 -1.55 0.40 -0.74 -2.79 117.98 114.18 3dwt s PHE 71 Ca -0.25 1.73 -0.04 0.00 -0.60 0.00 0.00 56.93 57.77 3dwt s PHE 71 Cb 0.05 -3.04 0.05 0.00 0.51 0.00 0.00 43.02 40.59 3dwt s PHE 71 CO 0.39 -0.16 0.06 0.99 0.70 0.00 0.00 175.22 177.20 3dwt s THR 72 N -1.55 0.13 -0.02 0.64 2.01 0.56 -4.84 115.64 112.58 3dwt s THR 72 Ca 0.52 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.21 3dwt s THR 72 Cb -0.22 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 3dwt s THR 72 CO 0.28 -0.15 0.37 -0.51 -0.69 0.00 0.00 174.62 173.92 3dwt s ILE 73 N 2.05 5.10 0.23 1.82 2.07 -1.25 -0.21 121.20 131.00 3dwt s ILE 73 Ca 0.02 0.75 -0.10 0.00 -1.41 0.00 0.00 60.65 59.91 3dwt s ILE 73 Cb -0.15 -3.67 -0.01 0.00 0.13 0.00 0.00 42.46 38.75 3dwt s ILE 73 CO -0.08 0.58 0.37 -0.94 -1.91 0.00 0.00 174.94 172.97 3dwt s SER 74 N -1.02 -0.02 0.03 4.50 1.04 0.81 -4.97 113.70 114.07 3dwt s SER 74 Ca 0.22 -1.03 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3dwt s SER 74 Cb -0.16 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3dwt s SER 74 CO 0.12 -1.04 0.06 0.00 0.98 0.00 0.00 173.24 173.35 3dwt s ARG 75 N -4.04 0.52 -0.37 4.02 1.70 -1.26 0.08 118.95 119.60 3dwt s ARG 75 Ca 0.26 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 3dwt s ARG 75 Cb 0.02 0.20 0.11 0.00 -0.57 0.00 0.00 34.95 34.71 3dwt s ARG 75 CO 0.09 -0.12 0.15 0.34 -1.08 0.00 0.00 175.30 174.68 3dwt s ASP 76 N -2.00 3.98 0.51 -2.89 -1.08 0.18 -4.99 116.67 110.38 3dwt s ASP 76 Ca -0.07 -2.10 0.16 0.00 -0.52 0.00 0.00 52.55 50.02 3dwt s ASP 76 Cb -0.03 -1.04 1.23 0.00 -1.46 0.00 0.00 42.92 41.63 3dwt s ASP 76 CO -0.04 -0.35 2.13 0.78 0.52 0.00 0.00 175.17 178.21 3dwt h ASN 77 N 7.48 0.00 -0.50 -0.34 2.35 -1.97 0.95 115.58 123.56 3dwt h ASN 77 Ca -0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 3dwt h ASN 77 Cb 0.98 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 3dwt h ASN 77 CO 0.48 0.03 -0.08 0.00 -1.65 0.00 0.00 177.43 176.21 3dwt h ALA 78 N 1.97 0.68 -0.02 -0.83 0.00 -1.96 -2.97 119.26 116.14 3dwt h ALA 78 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3dwt h ALA 78 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dwt h ALA 78 CO 0.00 0.56 -0.12 1.63 0.00 0.00 0.00 179.25 181.33 3dwt n LYS 79 N -4.24 1.56 -3.55 0.00 5.02 -0.83 -4.96 118.16 111.17 3dwt n LYS 79 Ca 0.01 -1.06 -0.24 0.00 -2.02 0.00 0.00 58.31 54.99 3dwt n LYS 79 Cb 0.38 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.96 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 -4.81 -3.85 4.39 4.13 0.27 -4.85 115.26 110.75 3dwt n ASN 80 Ca 0.15 -0.87 -0.12 0.00 1.68 0.00 0.00 54.58 55.42 3dwt n ASN 80 Cb 0.42 -4.13 -0.12 0.00 -1.54 0.00 0.00 39.78 34.41 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 -3.49 0.03 0.01 3.41 2.01 -0.89 -2.37 115.64 114.36 3dwt s THR 81 Ca 0.36 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3dwt s THR 81 Cb -0.10 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 3dwt s THR 81 CO 0.81 -0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.80 3dwt s VAL 82 N -0.44 3.33 -0.04 3.82 1.01 0.10 -0.65 120.40 127.53 3dwt s VAL 82 Ca -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3dwt s VAL 82 Cb -0.03 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3dwt s VAL 82 CO 0.00 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.54 3dwt s THR 83 N -0.95 0.66 -0.26 3.92 2.01 0.11 -0.25 115.64 120.87 3dwt s THR 83 Ca 0.16 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 3dwt s THR 83 Cb -0.11 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 71.79 3dwt s THR 83 CO 0.06 0.25 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.96 3dwt s LEU 84 N 0.78 3.37 -0.48 4.42 2.96 -0.21 -0.14 118.68 129.38 3dwt s LEU 84 Ca -0.12 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 52.59 3dwt s LEU 84 Cb -0.14 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3dwt s LEU 84 CO 0.01 -0.17 0.45 -1.58 -1.32 0.00 0.00 176.35 173.74 3dwt s GLN 85 N 1.27 3.01 -0.42 1.98 2.00 0.71 -0.68 119.66 127.54 3dwt s GLN 85 Ca -0.02 -1.28 -0.18 0.00 -2.00 0.00 0.00 55.36 51.87 3dwt s GLN 85 Cb -0.18 -4.14 0.02 0.00 0.80 0.00 0.00 33.01 29.52 3dwt s GLN 85 CO -0.04 -1.09 0.50 -1.64 -0.50 0.00 0.00 175.29 172.52 3dwt s MET 86 N 1.85 3.18 -0.10 1.67 -1.94 -0.78 -0.32 119.30 122.86 3dwt s MET 86 Ca 0.06 -0.62 -0.07 0.00 -1.71 0.00 0.00 55.69 53.36 3dwt s MET 86 Cb -0.24 -3.95 -0.02 0.00 2.01 0.00 0.00 34.83 32.63 3dwt s MET 86 CO 0.07 -0.88 -0.13 0.09 -0.01 0.00 0.00 175.02 174.17 3dwt n ASN 87 N 5.79 1.27 -4.00 3.03 3.02 -1.12 -1.90 115.26 121.36 3dwt n ASN 87 Ca -0.06 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 3dwt n ASN 87 Cb 0.48 -0.76 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 3dwt n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dwt n ASN 88 N -3.91 5.88 -4.74 6.41 2.85 -1.26 -3.72 115.26 116.78 3dwt n ASN 88 Ca -0.05 -3.27 -0.42 0.00 -0.11 0.00 0.00 54.58 50.73 3dwt n ASN 88 Cb 0.19 -1.36 -0.01 0.00 1.24 0.00 0.00 39.78 39.84 3dwt n ASN 88 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3dwt n LEU 89 N 2.42 4.26 -4.35 1.20 4.77 -1.12 -4.72 117.00 119.46 3dwt n LEU 89 Ca 0.31 1.17 -0.21 0.00 -0.03 0.00 0.00 56.01 57.25 3dwt n LEU 89 Cb 0.35 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.76 3dwt n LEU 89 CO 0.74 0.04 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.83 3dwt s LYS 90 N -0.96 1.34 0.65 3.23 1.02 -1.26 -0.71 119.74 123.05 3dwt s LYS 90 Ca 0.61 -1.52 0.29 0.00 0.02 0.00 0.00 55.97 55.38 3dwt s LYS 90 Cb -0.51 -1.30 1.58 0.00 -0.52 0.00 0.00 37.83 37.07 3dwt s LYS 90 CO 0.53 0.25 1.91 -1.35 -0.92 0.00 0.00 175.35 175.77 3dwt h PRO 91 N 2.88 0.00 0.00 -1.68 0.11 -1.93 0.42 132.00 131.80 3dwt h PRO 91 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dwt h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dwt h PRO 91 CO 0.56 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 3dwt h GLU 92 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.47 114.58 115.61 3dwt h GLU 92 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3dwt h GLU 92 Cb 0.77 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3dwt h GLU 92 CO -0.00 0.00 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.26 3dwt h ASP 93 N 0.00 0.00 -1.61 1.42 3.45 -0.54 -3.45 116.42 115.68 3dwt h ASP 93 Ca 0.00 0.00 -0.66 0.00 0.43 0.00 0.00 57.03 56.80 3dwt h ASP 93 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3dwt h ASP 93 CO 0.00 0.02 1.18 0.41 -1.57 0.00 0.00 179.24 179.28 3dwt n THR 94 N -3.05 0.38 0.00 0.35 -1.04 -0.93 -4.83 114.28 105.16 3dwt n THR 94 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3dwt n THR 94 Cb 0.54 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 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 7.71 0.00 -2.63 2.41 0.00 0.02 -4.67 120.51 123.35 3dwt n ALA 95 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 3dwt n ALA 95 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 5.05 -0.21 0.00 2.07 -0.90 -1.26 121.20 123.96 3dwt s ILE 96 Ca 0.00 0.97 -0.13 0.00 -1.41 0.00 0.00 60.65 60.08 3dwt s ILE 96 Cb 0.00 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.68 3dwt s ILE 96 CO 0.00 0.09 0.29 -0.31 -1.91 0.00 0.00 174.94 173.10 3dwt s TYR 97 N 2.20 3.37 0.05 3.50 1.51 -0.28 -1.58 117.35 126.13 3dwt s TYR 97 Ca 0.23 0.47 0.02 0.00 -1.01 0.00 0.00 57.07 56.78 3dwt s TYR 97 Cb -0.16 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 3dwt s TYR 97 CO 0.09 0.08 0.10 0.71 -1.11 0.00 0.00 175.55 175.42 3dwt s TYR 98 N 1.01 3.26 -0.06 2.71 2.02 0.38 -1.89 117.35 124.78 3dwt s TYR 98 Ca 0.14 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.95 3dwt s TYR 98 Cb -0.14 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3dwt s TYR 98 CO 0.05 0.54 0.08 0.00 -1.57 0.00 0.00 175.55 174.66 3dwt s ALA 100 N -1.08 -0.60 0.05 0.00 0.00 -0.58 -0.04 121.76 119.51 3dwt s ALA 100 Ca 0.19 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3dwt s ALA 100 Cb -0.12 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3dwt s ALA 100 CO 0.09 -0.34 0.35 0.00 0.00 0.00 0.00 175.76 175.85 3dwt s ALA 101 N -2.12 -0.80 -0.11 0.00 0.00 -0.46 -0.53 121.76 117.74 3dwt s ALA 101 Ca -0.08 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 3dwt s ALA 101 Cb -0.03 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.48 3dwt s ALA 101 CO -0.01 -0.44 0.44 0.54 0.00 0.00 0.00 175.76 176.29 3dwt s VAL 102 N -2.58 0.02 -1.11 0.00 0.11 -0.96 -1.08 120.40 114.79 3dwt s VAL 102 Ca -0.05 -0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 3dwt s VAL 102 Cb -0.01 -0.68 0.06 0.00 -1.53 0.00 0.00 36.38 34.23 3dwt s VAL 102 CO -0.03 -0.08 1.53 -0.60 -3.33 0.00 0.00 175.10 172.59 3dwt s ARG 103 N -0.42 3.73 0.00 1.54 3.52 -1.26 -1.89 118.95 124.17 3dwt s ARG 103 Ca -0.06 -1.46 0.00 0.00 -0.13 0.00 0.00 55.73 54.08 3dwt s ARG 103 Cb -0.03 -5.40 0.00 0.00 -1.56 0.00 0.00 34.95 27.96 3dwt s ARG 103 CO 0.03 -2.20 0.00 0.41 -0.81 0.00 0.00 175.30 172.73 3dwt n GLY 104 N 6.29 2.30 3.47 8.12 0.00 -1.22 -5.00 105.19 119.15 3dwt n GLY 104 Ca 0.38 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.89 -0.30 -0.06 1.61 5.04 -1.26 -4.24 117.35 117.25 3dwt s TYR 105 Ca 0.00 0.01 -0.31 0.00 -2.44 0.00 0.00 57.07 54.33 3dwt s TYR 105 Cb 0.00 0.46 0.11 0.00 0.35 0.00 0.00 41.96 42.88 3dwt s TYR 105 CO 0.00 -0.88 1.06 -0.59 -1.34 0.00 0.00 175.55 173.81 3dwt s PHE 106 N -3.82 -0.21 -0.25 4.97 -0.12 -1.26 -5.08 117.98 112.22 3dwt s PHE 106 Ca 0.05 0.09 0.15 0.00 -0.05 0.00 0.00 56.93 57.17 3dwt s PHE 106 Cb -0.01 0.54 0.48 0.00 -0.63 0.00 0.00 43.02 43.40 3dwt s PHE 106 CO -0.08 -0.41 1.16 -1.33 -0.05 0.00 0.00 175.22 174.50 3dwt n MET 107 N -0.24 2.39 -3.59 1.99 2.81 -1.26 -4.79 117.12 114.44 3dwt n MET 107 Ca -0.05 -3.66 -0.12 0.00 -1.81 0.00 0.00 57.70 52.07 3dwt n MET 107 Cb 0.60 -1.77 -0.04 0.00 -0.71 0.00 0.00 33.22 31.30 3dwt n MET 107 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3dwt s ARG 108 N -3.38 1.08 -0.43 0.03 0.52 -1.26 -5.08 118.95 110.43 3dwt s ARG 108 Ca 0.39 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.80 3dwt s ARG 108 Cb 0.37 0.48 -0.03 0.00 0.52 0.00 0.00 34.95 36.30 3dwt s ARG 108 CO -0.02 -0.42 1.90 -1.17 0.02 0.00 0.00 175.30 175.61 3dwt s LEU 109 N -2.52 3.43 0.00 2.53 1.98 -1.26 -4.94 118.68 117.89 3dwt s LEU 109 Ca -0.00 1.00 -0.15 0.00 -2.89 0.00 0.00 54.13 52.09 3dwt s LEU 109 Cb 0.01 -3.10 0.24 0.00 0.66 0.00 0.00 46.19 43.99 3dwt s LEU 109 CO -0.09 -2.05 0.53 -0.81 -1.89 0.00 0.00 176.35 172.05 3dwt n PRO 110 N 8.74 -3.66 -4.59 0.98 -0.04 -1.26 -5.07 135.00 130.09 3dwt n PRO 110 Ca 0.24 -0.90 -0.29 0.00 -0.04 0.00 0.00 63.50 62.51 3dwt n PRO 110 Cb 0.49 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.64 4.03 0.55 3.54 1.04 -1.26 -4.77 113.70 114.19 3dwt s SER 111 Ca 0.41 -1.42 0.23 0.00 0.48 0.00 0.00 55.95 55.65 3dwt s SER 111 Cb -0.07 -0.11 1.45 0.00 0.10 0.00 0.00 66.02 67.39 3dwt s SER 111 CO 0.35 -0.60 2.11 0.77 0.98 0.00 0.00 173.24 176.84 3dwt h SER 112 N 1.58 0.00 1.30 7.02 4.64 -1.96 -1.30 113.55 124.83 3dwt h SER 112 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3dwt h SER 112 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dwt h SER 112 CO 0.77 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 177.18 3dwt h HIS 113 N 0.00 0.00 0.00 4.77 3.86 -1.99 -3.00 115.15 118.79 3dwt h HIS 113 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3dwt h HIS 113 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3dwt h HIS 113 CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 3dwt n ASN 114 N -3.06 0.24 -4.69 2.45 3.02 -0.49 -4.83 115.26 107.90 3dwt n ASN 114 Ca 0.02 0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 54.83 3dwt n ASN 114 Cb 0.37 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 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 -3.05 2.89 -0.02 3.10 0.40 -1.14 -4.77 117.98 115.39 3dwt s PHE 115 Ca 0.11 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 3dwt s PHE 115 Cb 0.15 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 3dwt s PHE 115 CO 0.50 0.52 0.00 2.89 0.70 0.00 0.00 175.22 179.83 3dwt n ARG 116 N -0.22 2.92 -3.46 0.44 1.85 -1.13 -5.00 116.66 112.07 3dwt n ARG 116 Ca -0.09 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.38 3dwt n ARG 116 Cb 0.55 -1.06 -0.08 0.00 -1.05 0.00 0.00 32.46 30.82 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 -2.05 3.35 0.13 2.89 4.12 -0.24 -5.00 117.35 120.54 3dwt s TYR 117 Ca -0.02 0.49 0.09 0.00 0.02 0.00 0.00 57.07 57.65 3dwt s TYR 117 Cb 0.01 -2.46 -0.04 0.00 -1.52 0.00 0.00 41.96 37.95 3dwt s TYR 117 CO 0.09 -0.01 -0.21 -1.58 0.02 0.00 0.00 175.55 173.86 3dwt s TRP 118 N 1.30 1.90 0.84 2.71 0.52 -1.26 -1.35 118.94 123.59 3dwt s TRP 118 Ca 0.16 -0.42 -0.08 0.00 0.02 0.00 0.00 56.10 55.77 3dwt s TRP 118 Cb -0.14 -1.01 0.17 0.00 -1.15 0.00 0.00 33.47 31.34 3dwt s TRP 118 CO 0.07 0.28 1.16 0.20 0.02 0.00 0.00 176.95 178.68 3dwt s GLY 119 N -2.19 1.77 0.00 0.98 0.00 0.95 -4.28 107.32 104.55 3dwt s GLY 119 Ca 0.11 -1.52 0.26 0.00 0.00 0.00 0.00 44.72 43.57 3dwt s GLY 119 CO 0.05 -0.84 1.51 -1.06 0.00 0.00 0.00 173.10 172.76 3dwt n GLN 120 N -3.29 0.11 0.00 2.90 1.13 -1.26 -4.75 117.38 112.22 3dwt n GLN 120 Ca 0.16 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3dwt n GLN 120 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.45 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 1.48 2.33 3.11 1.08 0.00 -1.26 -5.05 105.19 106.87 3dwt n GLY 121 Ca 0.07 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.71 -0.75 0.17 2.61 2.01 -0.79 -4.85 115.64 111.33 3dwt s THR 122 Ca 0.00 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 3dwt s THR 122 Cb 0.00 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 3dwt s THR 122 CO 0.00 -0.04 1.49 -1.58 -0.69 0.00 0.00 174.62 173.79 3dwt s GLN 123 N 2.67 4.26 -0.14 4.92 2.00 -1.26 -1.13 119.66 130.98 3dwt s GLN 123 Ca 0.10 2.27 -0.01 0.00 -2.00 0.00 0.00 55.36 55.72 3dwt s GLN 123 Cb -0.14 -3.17 0.04 0.00 0.80 0.00 0.00 33.01 30.53 3dwt s GLN 123 CO -0.17 -0.51 -0.05 0.08 -0.50 0.00 0.00 175.29 174.14 3dwt s VAL 124 N 0.84 1.02 -0.15 1.34 1.01 -0.39 -1.86 120.40 122.21 3dwt s VAL 124 Ca 0.66 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3dwt s VAL 124 Cb -0.41 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 34.82 3dwt s VAL 124 CO 0.34 0.21 -0.21 -0.89 0.00 0.00 0.00 175.10 174.55 3dwt s THR 125 N 1.68 2.12 -0.13 3.92 2.01 0.19 -0.80 115.64 124.62 3dwt s THR 125 Ca 0.02 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3dwt s THR 125 Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 3dwt s THR 125 CO -0.08 0.54 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.56 3dwt s VAL 126 N 0.96 2.85 0.13 3.82 1.01 -1.25 0.81 120.40 128.74 3dwt s VAL 126 Ca -0.03 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3dwt s VAL 126 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3dwt s VAL 126 CO -0.05 0.52 -0.16 -0.94 0.00 0.00 0.00 175.10 174.48 3dwt s SER 127 N 0.48 2.23 0.94 3.32 1.04 -0.59 -4.39 113.70 116.73 3dwt s SER 127 Ca -0.10 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 3dwt s SER 127 Cb -0.16 -0.10 0.16 0.00 0.10 0.00 0.00 66.02 66.02 3dwt s SER 127 CO 0.05 -0.10 1.10 -0.55 0.98 0.00 0.00 173.24 174.72 3dwt s SER 128 N -2.47 2.85 0.00 7.02 0.15 -1.26 -0.94 113.70 119.05 3dwt s SER 128 Ca 0.11 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3dwt s SER 128 Cb -0.06 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3dwt s SER 128 CO 0.04 -3.08 0.00 -2.11 1.20 0.00 0.00 173.24 169.29