#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5x h GLU 2 N 0.00 0.27 -0.78 2.12 3.07 -2.07 -3.18 114.58 114.02 3f5x h GLU 2 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3f5x h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3f5x h GLU 2 CO 0.00 0.66 0.00 0.09 -1.40 0.00 0.00 179.01 178.36 3f5x n ASN 3 N -4.00 3.12 -4.28 1.42 3.02 -1.26 -4.84 115.26 108.44 3f5x n ASN 3 Ca -0.02 -2.41 -0.32 0.00 -0.03 0.00 0.00 54.58 51.80 3f5x n ASN 3 Cb 0.50 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 3f5x n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3f5x s PHE 4 N -1.80 2.68 -0.24 3.10 0.08 -1.20 0.10 117.98 120.70 3f5x s PHE 4 Ca 0.25 -0.90 -0.09 0.00 0.12 0.00 0.00 56.93 56.31 3f5x s PHE 4 Cb 0.19 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3f5x s PHE 4 CO 0.08 -0.35 0.13 -1.14 -0.10 0.00 0.00 175.22 173.84 3f5x s GLN 5 N 0.39 3.94 0.04 0.44 2.00 0.17 -4.91 119.66 121.73 3f5x s GLN 5 Ca -0.14 -0.34 -0.31 0.00 -2.00 0.00 0.00 55.36 52.57 3f5x s GLN 5 Cb -0.17 -3.46 -0.06 0.00 0.80 0.00 0.00 33.01 30.12 3f5x s GLN 5 CO 0.07 -0.00 1.30 0.21 -0.50 0.00 0.00 175.29 176.37 3f5x s LYS 6 N 1.20 4.35 -0.27 1.67 2.20 -1.26 -0.05 119.74 127.58 3f5x s LYS 6 Ca 0.06 1.89 -0.15 0.00 -0.36 0.00 0.00 55.97 57.41 3f5x s LYS 6 Cb -0.14 -3.42 -0.12 0.00 -1.51 0.00 0.00 37.83 32.64 3f5x s LYS 6 CO 0.05 -0.42 -0.31 0.28 -0.36 0.00 0.00 175.35 174.59 3f5x n VAL 7 N 4.24 1.53 -3.54 4.02 0.31 0.49 -4.93 118.33 120.45 3f5x n VAL 7 Ca 0.11 -0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 64.03 3f5x n VAL 7 Cb 0.45 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3f5x n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3f5x s GLU 8 N -2.52 0.66 0.08 5.55 -1.05 -1.09 -5.00 118.70 115.34 3f5x s GLU 8 Ca -0.38 -0.15 -0.31 0.00 -0.15 0.00 0.00 54.97 53.99 3f5x s GLU 8 Cb 0.14 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 34.07 3f5x s GLU 8 CO 0.49 -0.27 1.19 0.21 0.95 0.00 0.00 175.26 177.84 3f5x s LYS 9 N -2.45 4.44 0.00 -4.83 2.20 -1.26 0.10 119.74 117.94 3f5x s LYS 9 Ca 0.04 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 3f5x s LYS 9 Cb -0.01 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3f5x s LYS 9 CO -0.05 -0.23 0.37 0.44 -0.36 0.00 0.00 175.35 175.51 3f5x n ILE 10 N 3.74 0.01 -3.65 5.43 -5.35 -0.28 -4.86 119.36 114.40 3f5x n ILE 10 Ca 0.08 -0.37 -0.04 0.00 -0.27 0.00 0.00 62.75 62.15 3f5x n ILE 10 Cb 0.46 1.27 -0.07 0.00 -1.74 0.00 0.00 39.64 39.56 3f5x n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f5x s GLY 11 N -0.01 0.21 0.10 3.28 0.00 -1.05 -4.96 107.32 104.89 3f5x s GLY 11 Ca 0.00 3.29 0.10 0.00 0.00 0.00 0.00 44.72 48.11 3f5x s GLY 11 CO 0.00 1.99 -0.26 1.85 0.00 0.00 0.00 173.10 176.68 3f5x s GLU 12 N 0.20 1.54 0.00 2.90 2.56 -1.26 0.16 118.70 124.80 3f5x s GLU 12 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 53.77 3f5x s GLU 12 Cb -0.05 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.18 3f5x s GLU 12 CO -0.13 0.47 0.00 0.41 -0.56 0.00 0.00 175.26 175.45 3f5x n GLY 13 N 1.26 4.51 0.08 -1.50 0.00 -0.11 -4.93 105.19 104.50 3f5x n GLY 13 Ca -0.18 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 3f5x n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x h THR 14 N 0.29 0.81 0.00 2.61 1.03 -2.00 -3.38 112.91 112.26 3f5x h THR 14 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 66.41 64.62 3f5x h THR 14 Cb 0.00 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 3f5x h THR 14 CO 0.00 0.27 -0.53 -1.22 -0.01 0.00 0.00 175.52 174.03 3f5x n TYR 15 N -4.58 0.14 -3.50 0.00 4.01 -1.26 -5.03 117.16 106.95 3f5x n TYR 15 Ca -0.16 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3f5x n TYR 15 Cb 0.43 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3f5x n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f5x n GLY 16 N 1.46 -1.17 3.93 2.72 0.00 -1.26 -3.54 105.19 107.33 3f5x n GLY 16 Ca 0.05 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 3f5x n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f5x s VAL 17 N -3.00 5.05 -0.14 1.61 1.01 -1.15 -0.93 120.40 122.85 3f5x s VAL 17 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.92 3f5x s VAL 17 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3f5x s VAL 17 CO 0.00 -0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 173.95 3f5x s VAL 18 N -1.99 2.77 0.04 2.92 1.01 0.12 -0.48 120.40 124.79 3f5x s VAL 18 Ca 0.34 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3f5x s VAL 18 Cb -0.09 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3f5x s VAL 18 CO 0.28 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.48 3f5x s TYR 19 N 0.53 2.74 0.07 5.22 1.51 0.61 -1.13 117.35 126.90 3f5x s TYR 19 Ca -0.10 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 3f5x s TYR 19 Cb -0.16 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3f5x s TYR 19 CO 0.04 0.34 1.05 0.21 -1.11 0.00 0.00 175.55 176.08 3f5x s LYS 20 N -1.59 4.56 0.17 -0.62 2.20 0.11 -0.32 119.74 124.26 3f5x s LYS 20 Ca 0.17 1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 57.34 3f5x s LYS 20 Cb -0.11 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3f5x s LYS 20 CO 0.08 -0.03 0.09 0.00 -0.36 0.00 0.00 175.35 175.14 3f5x s ALA 21 N 0.61 1.08 -0.06 3.13 0.00 0.11 -0.38 121.76 126.25 3f5x s ALA 21 Ca 0.52 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3f5x s ALA 21 Cb -0.25 1.13 0.02 0.00 0.00 0.00 0.00 23.12 24.02 3f5x s ALA 21 CO 0.30 -0.53 -0.06 0.50 0.00 0.00 0.00 175.76 175.96 3f5x s ARG 22 N -4.10 1.09 -0.21 0.00 3.52 0.93 0.13 118.95 120.30 3f5x s ARG 22 Ca 0.32 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.46 3f5x s ARG 22 Cb 0.07 -1.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 3f5x s ARG 22 CO 0.08 -0.10 1.61 1.21 -0.81 0.00 0.00 175.30 177.28 3f5x s ASN 23 N 1.08 6.40 0.46 -2.12 3.84 0.53 0.43 114.94 125.56 3f5x s ASN 23 Ca -0.08 1.64 0.22 0.00 0.21 0.00 0.00 52.86 54.85 3f5x s ASN 23 Cb -0.14 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.13 3f5x s ASN 23 CO -0.01 -1.24 1.94 0.11 -2.79 0.00 0.00 177.10 175.12 3f5x h LYS 24 N 10.63 0.00 0.11 0.43 1.57 0.37 0.35 116.57 130.03 3f5x h LYS 24 Ca -0.34 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.11 3f5x h LYS 24 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3f5x h LYS 24 CO 1.00 0.22 -1.81 -0.07 -0.57 0.00 0.00 179.45 178.22 3f5x h LEU 25 N 0.00 0.36 0.00 2.94 3.38 -1.91 -3.40 115.31 116.68 3f5x h LEU 25 Ca -0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3f5x h LEU 25 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3f5x h LEU 25 CO 0.03 1.60 -1.58 0.35 0.09 0.00 0.00 178.44 178.93 3f5x n THR 26 N -3.41 0.00 -0.93 0.22 -2.24 -1.20 -5.00 114.28 101.73 3f5x n THR 26 Ca -0.25 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3f5x n THR 26 Cb 1.05 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3f5x n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5x n GLY 27 N 1.56 0.95 3.70 3.38 0.00 0.12 -5.01 105.19 109.89 3f5x n GLY 27 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3f5x n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f5x s GLU 28 N -0.07 4.20 0.03 1.61 2.12 -1.25 -4.65 118.70 120.68 3f5x s GLU 28 Ca 0.00 2.36 -0.26 0.00 0.36 0.00 0.00 54.97 57.43 3f5x s GLU 28 Cb 0.00 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3f5x s GLU 28 CO 0.00 -0.70 0.79 0.08 -0.54 0.00 0.00 175.26 174.90 3f5x s VAL 29 N 2.11 4.78 0.04 3.70 1.01 -1.26 -0.34 120.40 130.43 3f5x s VAL 29 Ca 0.73 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 3f5x s VAL 29 Cb -0.42 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3f5x s VAL 29 CO 0.32 0.32 -0.03 0.54 0.00 0.00 0.00 175.10 176.25 3f5x s VAL 30 N 0.19 0.19 -0.23 2.92 0.11 0.12 -4.00 120.40 119.71 3f5x s VAL 30 Ca 0.40 -1.47 -0.08 0.00 -2.93 0.00 0.00 61.98 57.90 3f5x s VAL 30 Cb -0.20 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 3f5x s VAL 30 CO 0.23 -0.80 0.10 0.00 -3.33 0.00 0.00 175.10 171.30 3f5x s ALA 31 N -2.96 3.39 -0.28 1.54 0.00 -0.68 0.09 121.76 122.86 3f5x s ALA 31 Ca -0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 3f5x s ALA 31 Cb 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3f5x s ALA 31 CO -0.06 -0.19 0.05 -0.51 0.00 0.00 0.00 175.76 175.05 3f5x s LEU 32 N 1.07 3.63 -0.42 0.00 1.43 0.57 -0.44 118.68 124.51 3f5x s LEU 32 Ca 0.05 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 3f5x s LEU 32 Cb -0.14 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3f5x s LEU 32 CO 0.04 -0.14 0.52 -0.75 0.23 0.00 0.00 176.35 176.24 3f5x s LYS 33 N 1.50 3.23 -0.04 1.70 2.20 0.14 -0.28 119.74 128.18 3f5x s LYS 33 Ca 0.03 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 54.87 3f5x s LYS 33 Cb -0.16 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3f5x s LYS 33 CO 0.01 -0.88 0.63 0.21 -0.36 0.00 0.00 175.35 174.97 3f5x s LYS 34 N 2.40 4.39 -0.21 4.03 2.20 0.37 -1.32 119.74 131.60 3f5x s LYS 34 Ca 0.16 0.78 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 3f5x s LYS 34 Cb -0.16 -3.40 0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3f5x s LYS 34 CO 0.15 0.20 -0.13 0.42 -0.36 0.00 0.00 175.35 175.63 3f5x s ILE 35 N 0.35 1.96 0.11 5.43 1.01 0.11 -2.94 121.20 127.23 3f5x s ILE 35 Ca 0.34 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 3f5x s ILE 35 Cb -0.18 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 3f5x s ILE 35 CO 0.17 0.21 1.11 -0.60 0.00 0.00 0.00 174.94 175.83 3f5x s ARG 36 N 1.26 4.54 -0.41 2.79 6.06 -1.23 -1.28 118.95 130.68 3f5x s ARG 36 Ca -0.02 1.68 -0.12 0.00 -2.50 0.00 0.00 55.73 54.77 3f5x s ARG 36 Cb -0.17 -3.33 0.05 0.00 0.06 0.00 0.00 34.95 31.56 3f5x s ARG 36 CO -0.09 -0.04 0.27 -0.51 -2.50 0.00 0.00 175.30 172.44 3f5x s LEU 37 N 0.29 5.08 -0.51 -0.88 1.43 -0.87 -4.95 118.68 118.27 3f5x s LEU 37 Ca 0.53 -1.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.17 3f5x s LEU 37 Cb -0.28 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3f5x s LEU 37 CO 0.32 -0.49 1.79 -0.62 0.23 0.00 0.00 176.35 177.58 3f5x s ASP 38 N 1.94 5.57 -0.02 2.29 2.15 -1.26 -4.85 116.67 122.49 3f5x s ASP 38 Ca 0.03 0.67 0.18 0.00 0.43 0.00 0.00 52.55 53.86 3f5x s ASP 38 Cb -0.21 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.42 3f5x s ASP 38 CO 0.06 -2.08 1.45 0.41 -0.17 0.00 0.00 175.17 174.84 3f5x n THR 39 N 7.26 0.94 -0.12 1.71 -1.04 -1.26 -2.44 114.28 119.32 3f5x n THR 39 Ca 0.21 -0.83 -0.19 0.00 -2.04 0.00 0.00 64.05 61.19 3f5x n THR 39 Cb 0.50 0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 69.23 3f5x n THR 39 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3f5x n GLU 40 N 1.19 0.59 -0.06 -2.82 4.07 -1.26 -4.91 120.64 117.44 3f5x n GLU 40 Ca 0.20 0.16 -0.08 0.00 -0.06 0.00 0.00 57.16 57.39 3f5x n GLU 40 Cb 0.55 -1.47 -0.08 0.00 -0.06 0.00 0.00 31.44 30.38 3f5x n GLU 40 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3f5x n THR 41 N -3.41 0.81 0.00 6.31 -2.24 -1.25 -4.94 114.28 109.56 3f5x n THR 41 Ca -0.45 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3f5x n THR 41 Cb 0.94 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3f5x n THR 41 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3f5x n GLU 42 N -2.64 0.00 0.00 -0.78 2.13 -1.21 -5.15 120.64 112.99 3f5x n GLU 42 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 3f5x n GLU 42 Cb 0.83 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.94 3f5x n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f5x n GLY 43 N 2.34 -0.32 3.66 8.31 0.00 -1.02 -4.80 105.19 113.36 3f5x n GLY 43 Ca 0.00 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 3f5x n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f5x s VAL 44 N 0.00 4.29 0.51 1.61 1.01 -1.26 -4.64 120.40 121.92 3f5x s VAL 44 Ca 0.00 1.56 -0.22 0.00 0.00 0.00 0.00 61.98 63.32 3f5x s VAL 44 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 3f5x s VAL 44 CO 0.00 -0.14 1.17 -2.65 0.00 0.00 0.00 175.10 173.48 3f5x n PRO 45 N 6.59 1.47 -0.10 2.72 -0.02 -1.26 -4.82 135.00 139.57 3f5x n PRO 45 Ca 0.14 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 3f5x n PRO 45 Cb 0.45 -2.33 0.49 0.00 -0.02 0.00 0.00 33.50 32.09 3f5x n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3f5x h SER 46 N 1.34 0.39 -0.47 2.55 0.02 -1.96 -1.95 113.55 113.46 3f5x h SER 46 Ca -0.48 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3f5x h SER 46 Cb 1.32 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3f5x h SER 46 CO 0.56 0.23 0.17 0.71 -1.14 0.00 0.00 176.83 177.36 3f5x h THR 47 N 0.43 1.22 -0.27 -2.27 1.35 -1.91 -1.31 112.91 110.14 3f5x h THR 47 Ca 0.29 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 3f5x h THR 47 Cb 0.56 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 3f5x h THR 47 CO -0.08 0.26 0.04 0.00 -0.25 0.00 0.00 175.52 175.48 3f5x h ALA 48 N 1.02 0.36 -0.39 6.62 0.00 -1.76 -0.20 119.26 124.91 3f5x h ALA 48 Ca 0.15 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3f5x h ALA 48 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3f5x h ALA 48 CO -0.01 0.05 0.09 0.82 0.00 0.00 0.00 179.25 180.20 3f5x h ILE 49 N 0.26 0.81 -0.14 0.00 2.04 -1.24 0.23 117.51 119.47 3f5x h ILE 49 Ca 0.08 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3f5x h ILE 49 Cb 0.34 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3f5x h ILE 49 CO 0.01 0.04 -0.17 0.03 0.00 0.00 0.00 178.15 178.05 3f5x h ARG 50 N 0.22 0.37 -0.45 2.37 3.08 -1.22 -1.96 114.38 116.79 3f5x h ARG 50 Ca 0.19 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3f5x h ARG 50 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3f5x h ARG 50 CO -0.24 0.77 -0.01 1.05 -1.07 0.00 0.00 179.97 180.47 3f5x h GLU 51 N -0.01 0.80 0.40 0.04 4.11 -0.78 -0.57 114.58 118.57 3f5x h GLU 51 Ca 0.02 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 3f5x h GLU 51 Cb 0.72 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3f5x h GLU 51 CO 0.04 0.87 -0.19 0.82 0.07 0.00 0.00 179.01 180.62 3f5x h ILE 52 N 0.64 0.57 -0.55 -1.06 2.04 -0.62 -1.42 117.51 117.10 3f5x h ILE 52 Ca 0.13 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3f5x h ILE 52 Cb 0.51 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3f5x h ILE 52 CO 0.03 0.07 0.22 0.77 0.00 0.00 0.00 178.15 179.24 3f5x h SER 53 N -0.79 0.72 0.39 1.72 4.64 -1.33 -2.04 113.55 116.85 3f5x h SER 53 Ca -0.05 -0.09 -0.32 0.00 -0.47 0.00 0.00 61.79 60.86 3f5x h SER 53 Cb 0.53 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3f5x h SER 53 CO 0.09 0.65 -1.47 -0.07 -0.87 0.00 0.00 176.83 175.16 3f5x h LEU 54 N 0.79 0.61 -0.51 5.97 3.38 -1.17 -3.35 115.31 121.04 3f5x h LEU 54 Ca 0.19 -0.72 -0.15 0.00 0.09 0.00 0.00 57.88 57.29 3f5x h LEU 54 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3f5x h LEU 54 CO -0.02 1.58 -0.35 0.25 0.09 0.00 0.00 178.44 179.99 3f5x h LEU 55 N 0.11 0.88 -0.15 1.67 5.85 -1.05 -2.41 115.31 120.21 3f5x h LEU 55 Ca -0.24 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3f5x h LEU 55 Cb 2.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.86 3f5x h LEU 55 CO 0.22 1.14 0.00 2.29 -0.34 0.00 0.00 178.44 181.75 3f5x n LYS 56 N -4.06 0.03 0.00 1.25 2.85 -0.79 0.13 118.16 117.58 3f5x n LYS 56 Ca -0.01 0.34 0.13 0.00 -1.05 0.00 0.00 58.31 57.72 3f5x n LYS 56 Cb 0.52 -1.57 0.45 0.00 -0.65 0.00 0.00 35.03 33.78 3f5x n LYS 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3f5x n GLU 57 N -1.62 1.04 -3.74 -1.58 1.02 -0.91 -4.73 120.64 110.11 3f5x n GLU 57 Ca 0.02 -0.58 -0.29 0.00 -0.02 0.00 0.00 57.16 56.30 3f5x n GLU 57 Cb 0.13 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 3f5x n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3f5x n LEU 58 N -0.48 3.38 -4.47 -4.62 4.77 0.12 -5.02 117.00 110.68 3f5x n LEU 58 Ca 0.14 -5.28 -0.43 0.00 -0.03 0.00 0.00 56.01 50.41 3f5x n LEU 58 Cb 0.34 -0.77 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 3f5x n LEU 58 CO 0.23 1.83 0.33 0.21 -1.33 0.00 0.00 177.39 178.66 3f5x s ASN 59 N -1.67 6.25 -0.11 -1.43 3.04 -1.26 -4.90 114.94 114.86 3f5x s ASN 59 Ca 0.29 -0.71 -0.23 0.00 0.04 0.00 0.00 52.86 52.25 3f5x s ASN 59 Cb 0.01 -2.30 0.05 0.00 -1.54 0.00 0.00 41.25 37.48 3f5x s ASN 59 CO -0.12 -0.84 0.55 -2.28 -3.04 0.00 0.00 177.10 171.38 3f5x s HIS 60 N 2.67 -0.54 0.37 0.43 2.46 -1.26 -5.05 115.29 114.37 3f5x s HIS 60 Ca 0.17 1.12 0.37 0.00 0.47 0.00 0.00 55.06 57.19 3f5x s HIS 60 Cb -0.17 0.26 1.82 0.00 -0.13 0.00 0.00 32.58 34.35 3f5x s HIS 60 CO 0.14 -0.43 2.16 -1.00 -2.47 0.00 0.00 174.74 173.14 3f5x h PRO 61 N 4.15 0.00 -0.58 2.88 0.13 -1.98 -2.49 132.00 134.11 3f5x h PRO 61 Ca -0.28 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 3f5x h PRO 61 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 3f5x h PRO 61 CO 0.29 0.02 0.15 0.09 -0.23 0.00 0.00 178.00 178.31 3f5x n ASN 62 N -3.16 4.42 -3.90 1.44 5.03 -1.26 -4.84 115.26 112.98 3f5x n ASN 62 Ca -0.01 -3.23 -0.22 0.00 0.87 0.00 0.00 54.58 52.00 3f5x n ASN 62 Cb 0.20 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 38.11 3f5x n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3f5x s ILE 63 N -2.98 0.66 0.15 2.41 1.01 -0.94 -1.29 121.20 120.22 3f5x s ILE 63 Ca 0.51 -0.17 -0.32 0.00 0.00 0.00 0.00 60.65 60.67 3f5x s ILE 63 Cb 0.41 -0.68 -0.12 0.00 0.01 0.00 0.00 42.46 42.09 3f5x s ILE 63 CO 0.11 0.26 1.76 0.52 0.00 0.00 0.00 174.94 177.60 3f5x n VAL 64 N 4.18 0.19 -2.52 2.92 0.31 -0.71 -4.51 118.33 118.19 3f5x n VAL 64 Ca -0.22 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 3f5x n VAL 64 Cb 0.51 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 3f5x n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3f5x s LYS 65 N 1.96 4.46 -0.27 5.55 1.02 -1.26 -4.95 119.74 126.25 3f5x s LYS 65 Ca 0.79 1.64 -0.26 0.00 0.02 0.00 0.00 55.97 58.16 3f5x s LYS 65 Cb -0.52 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.38 3f5x s LYS 65 CO 0.36 -0.22 0.93 -1.17 -0.92 0.00 0.00 175.35 174.33 3f5x s LEU 66 N 1.20 4.05 -0.07 3.17 2.96 -1.26 -1.56 118.68 127.16 3f5x s LEU 66 Ca 0.56 1.04 0.12 0.00 -0.22 0.00 0.00 54.13 55.63 3f5x s LEU 66 Cb -0.26 -3.33 -0.23 0.00 0.50 0.00 0.00 46.19 42.86 3f5x s LEU 66 CO 0.28 -0.66 0.55 0.18 -1.32 0.00 0.00 176.35 175.38 3f5x n LEU 67 N 6.33 0.93 -3.54 -0.68 4.77 0.26 -4.96 117.00 120.10 3f5x n LEU 67 Ca 0.08 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.31 3f5x n LEU 67 Cb 0.47 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 3f5x n LEU 67 CO 0.52 0.45 0.74 -0.62 -1.33 0.00 0.00 177.39 177.15 3f5x s ASP 68 N -6.09 -0.36 -0.18 -1.43 2.15 -1.07 -5.00 116.67 104.69 3f5x s ASP 68 Ca -0.07 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.11 3f5x s ASP 68 Cb 0.08 0.33 0.04 0.00 -0.30 0.00 0.00 42.92 43.07 3f5x s ASP 68 CO 0.82 -0.47 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.58 3f5x s VAL 69 N -2.12 1.41 -0.62 1.11 1.01 -1.26 -0.94 120.40 118.98 3f5x s VAL 69 Ca 0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 3f5x s VAL 69 Cb -0.01 -1.51 0.16 0.00 0.00 0.00 0.00 36.38 35.02 3f5x s VAL 69 CO -0.03 0.18 0.54 -0.63 0.00 0.00 0.00 175.10 175.16 3f5x s ILE 70 N 1.50 4.97 -0.25 2.22 1.01 -0.60 -5.00 121.20 125.06 3f5x s ILE 70 Ca 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 60.65 58.57 3f5x s ILE 70 Cb -0.16 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3f5x s ILE 70 CO -0.08 -0.90 0.05 -1.38 0.00 0.00 0.00 174.94 172.63 3f5x s HIS 71 N 0.93 3.07 0.00 3.97 -3.43 -1.26 -2.20 115.29 116.36 3f5x s HIS 71 Ca 0.10 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.76 3f5x s HIS 71 Cb -0.22 -2.21 0.00 0.00 -1.43 0.00 0.00 32.58 28.72 3f5x s HIS 71 CO -0.02 -0.43 0.00 0.25 -2.00 0.00 0.00 174.74 172.54 3f5x n THR 72 N 4.89 0.00 0.00 -5.38 -2.24 -1.04 -5.07 114.28 105.45 3f5x n THR 72 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3f5x n THR 72 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3f5x n THR 72 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3f5x n GLU 73 N 0.00 0.00 -0.45 -0.78 0.28 -1.26 -4.31 120.64 114.11 3f5x n GLU 73 Ca 0.00 0.36 0.02 0.00 -0.16 0.00 0.00 57.16 57.38 3f5x n GLU 73 Cb 0.00 -0.68 0.03 0.00 1.43 0.00 0.00 31.44 32.22 3f5x n GLU 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3f5x n ASN 74 N -0.99 0.48 -3.88 -1.84 6.94 -1.26 -5.04 115.26 109.66 3f5x n ASN 74 Ca 0.00 -2.22 -0.11 0.00 -0.02 0.00 0.00 54.58 52.23 3f5x n ASN 74 Cb 0.00 -0.25 -0.12 0.00 -2.36 0.00 0.00 39.78 37.05 3f5x n ASN 74 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3f5x s LYS 75 N -0.56 0.18 -0.12 -3.83 -2.85 -1.26 -2.06 119.74 109.24 3f5x s LYS 75 Ca 0.07 -0.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 3f5x s LYS 75 Cb 0.07 0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.93 3f5x s LYS 75 CO -0.00 -0.03 -0.17 -1.17 0.10 0.00 0.00 175.35 174.08 3f5x s LEU 76 N -0.47 1.81 -0.11 2.77 0.20 -0.41 -2.49 118.68 119.99 3f5x s LEU 76 Ca -0.05 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3f5x s LEU 76 Cb -0.03 -1.18 -0.02 0.00 -0.43 0.00 0.00 46.19 44.53 3f5x s LEU 76 CO 0.00 0.02 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.64 3f5x s TYR 77 N 0.99 2.78 -0.21 5.38 1.51 -0.94 0.07 117.35 126.93 3f5x s TYR 77 Ca -0.06 -0.54 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 3f5x s TYR 77 Cb -0.15 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3f5x s TYR 77 CO -0.02 -0.12 0.10 -0.51 -1.11 0.00 0.00 175.55 173.88 3f5x s LEU 78 N 0.10 3.91 -0.24 -1.29 1.43 -0.43 -1.55 118.68 120.61 3f5x s LEU 78 Ca -0.06 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 3f5x s LEU 78 Cb -0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3f5x s LEU 78 CO 0.05 0.12 0.10 -0.69 0.23 0.00 0.00 176.35 176.15 3f5x s VAL 79 N 0.72 4.64 0.28 -1.59 1.01 -0.12 -0.69 120.40 124.67 3f5x s VAL 79 Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 61.98 62.09 3f5x s VAL 79 Cb -0.13 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3f5x s VAL 79 CO 0.02 0.34 -0.18 -0.36 0.00 0.00 0.00 175.10 174.92 3f5x s PHE 80 N 1.39 2.32 0.57 5.22 0.40 0.42 0.92 117.98 129.22 3f5x s PHE 80 Ca 0.06 -0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 55.84 3f5x s PHE 80 Cb -0.15 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 3f5x s PHE 80 CO 0.05 0.70 1.31 -1.83 0.70 0.00 0.00 175.22 176.15 3f5x s GLU 81 N -3.53 3.01 -0.16 0.44 -1.05 -0.60 -1.69 118.70 115.12 3f5x s GLU 81 Ca 0.30 2.10 -0.15 0.00 -0.15 0.00 0.00 54.97 57.08 3f5x s GLU 81 Cb -0.04 -2.12 -0.04 0.00 -0.44 0.00 0.00 34.13 31.48 3f5x s GLU 81 CO 0.15 -1.25 0.33 0.12 0.95 0.00 0.00 175.26 175.56 3f5x s PHE 82 N -1.38 3.46 0.45 4.83 2.19 -1.26 -4.39 117.98 121.88 3f5x s PHE 82 Ca 0.75 0.64 0.06 0.00 0.33 0.00 0.00 56.93 58.71 3f5x s PHE 82 Cb -0.37 -2.39 -0.04 0.00 -1.31 0.00 0.00 43.02 38.91 3f5x s PHE 82 CO 0.43 0.20 0.13 -0.51 1.83 0.00 0.00 175.22 177.30 3f5x s LEU 83 N 0.57 2.83 -0.20 6.12 1.02 -1.26 -5.01 118.68 122.75 3f5x s LEU 83 Ca 0.18 -1.29 0.13 0.00 0.02 0.00 0.00 54.13 53.17 3f5x s LEU 83 Cb -0.13 -1.13 -0.23 0.00 0.02 0.00 0.00 46.19 44.72 3f5x s LEU 83 CO 0.05 -0.67 0.06 1.41 0.02 0.00 0.00 176.35 177.23 3f5x n HIS 84 N -1.26 0.12 -3.80 0.29 8.25 -0.37 -4.99 115.22 113.47 3f5x n HIS 84 Ca -0.06 0.04 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 3f5x n HIS 84 Cb 0.66 -1.02 -0.00 0.00 1.12 0.00 0.00 29.99 30.74 3f5x n HIS 84 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3f5x s GLN 85 N -2.51 1.30 0.49 -0.41 -2.07 -1.09 -5.03 119.66 110.34 3f5x s GLN 85 Ca -0.15 -0.77 -0.00 0.00 -1.82 0.00 0.00 55.36 52.61 3f5x s GLN 85 Cb 0.07 0.41 0.01 0.00 -1.09 0.00 0.00 33.01 32.40 3f5x s GLN 85 CO 0.78 -0.60 0.72 0.16 -1.32 0.00 0.00 175.29 175.03 3f5x s ASP 86 N -3.10 5.68 0.35 12.60 1.47 -1.26 -0.38 116.67 132.03 3f5x s ASP 86 Ca 0.16 0.27 0.13 0.00 1.18 0.00 0.00 52.55 54.29 3f5x s ASP 86 Cb -0.02 -1.41 0.63 0.00 -0.34 0.00 0.00 42.92 41.78 3f5x s ASP 86 CO 0.04 -0.84 1.77 0.25 0.68 0.00 0.00 175.17 177.06 3f5x h LEU 87 N 0.26 0.00 0.15 2.11 6.46 -0.27 -2.87 115.31 121.15 3f5x h LEU 87 Ca -0.45 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 3f5x h LEU 87 Cb 1.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3f5x h LEU 87 CO 0.57 0.44 -0.07 0.50 -0.62 0.00 0.00 178.44 179.25 3f5x h LYS 88 N 0.00 -0.19 -0.53 1.25 3.64 -1.79 0.12 116.57 119.07 3f5x h LYS 88 Ca -0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3f5x h LYS 88 Cb 0.79 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3f5x h LYS 88 CO 0.06 -0.06 0.14 0.87 -2.27 0.00 0.00 179.45 178.19 3f5x h LYS 89 N -0.28 0.81 -0.62 1.90 6.56 -1.88 -0.91 116.57 122.15 3f5x h LYS 89 Ca -0.02 -0.16 -0.08 0.00 -1.06 0.00 0.00 60.65 59.33 3f5x h LYS 89 Cb 0.22 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 3f5x h LYS 89 CO 0.03 0.72 0.07 0.35 -2.06 0.00 0.00 179.45 178.56 3f5x h PHE 90 N 0.78 1.13 -0.16 -1.35 3.57 -1.28 -0.36 116.94 119.28 3f5x h PHE 90 Ca 0.18 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3f5x h PHE 90 Cb 0.27 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3f5x h PHE 90 CO 0.02 0.97 0.07 0.52 -2.23 0.00 0.00 178.31 177.65 3f5x h MET 91 N 0.96 0.15 -0.66 1.11 2.86 -0.38 -1.67 114.93 117.30 3f5x h MET 91 Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3f5x h MET 91 Cb 0.48 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3f5x h MET 91 CO 0.02 0.10 0.42 -0.44 1.06 0.00 0.00 176.91 178.07 3f5x h ASP 92 N 0.15 0.70 0.38 1.22 3.32 -1.00 -2.04 116.42 119.16 3f5x h ASP 92 Ca 0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3f5x h ASP 92 Cb 0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3f5x h ASP 92 CO -0.06 0.50 -0.15 0.00 -1.72 0.00 0.00 179.24 177.81 3f5x h ALA 93 N 1.27 1.31 -0.69 3.45 0.00 -0.91 -2.95 119.26 120.74 3f5x h ALA 93 Ca 0.26 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3f5x h ALA 93 Cb -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 3f5x h ALA 93 CO -0.09 0.18 0.21 0.43 0.00 0.00 0.00 179.25 179.98 3f5x n SER 94 N -3.72 4.97 -0.04 0.00 7.64 -0.64 -4.65 113.62 117.18 3f5x n SER 94 Ca -0.02 -3.18 -0.07 0.00 1.01 0.00 0.00 58.87 56.62 3f5x n SER 94 Cb 0.26 -0.73 0.12 0.00 -1.01 0.00 0.00 64.21 62.85 3f5x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f5x h ALA 95 N 2.89 0.92 -0.51 -0.43 0.00 -1.40 0.23 119.26 120.95 3f5x h ALA 95 Ca 0.21 -0.38 -0.39 0.00 0.00 0.00 0.00 54.91 54.35 3f5x h ALA 95 Cb 2.24 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.74 3f5x h ALA 95 CO 0.68 0.62 0.42 -0.11 0.00 0.00 0.00 179.25 180.85 3f5x n LEU 96 N -4.09 6.51 0.00 0.00 7.94 -1.26 -4.21 117.00 121.89 3f5x n LEU 96 Ca -0.00 -3.56 0.00 0.00 -1.11 0.00 0.00 56.01 51.34 3f5x n LEU 96 Cb 0.45 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3f5x n LEU 96 CO 0.44 1.39 0.00 0.35 -1.11 0.00 0.00 177.39 178.46 3f5x n THR 97 N 0.47 0.00 -0.68 1.96 -2.24 -1.22 -5.16 114.28 107.42 3f5x n THR 97 Ca 0.37 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.23 3f5x n THR 97 Cb 0.58 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3f5x n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5x n GLY 98 N 0.00 -2.91 3.70 3.38 0.00 0.79 -4.73 105.19 105.42 3f5x n GLY 98 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3f5x n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f5x s ILE 99 N -3.50 4.15 0.48 -0.61 1.01 -1.26 -4.92 121.20 116.54 3f5x s ILE 99 Ca 0.00 1.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 3f5x s ILE 99 Cb 0.00 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 3f5x s ILE 99 CO 0.00 0.06 0.96 -2.65 0.00 0.00 0.00 174.94 173.31 3f5x n PRO 100 N 4.59 1.18 -0.26 2.79 -0.02 -1.26 -4.76 135.00 137.27 3f5x n PRO 100 Ca 0.10 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 62.03 3f5x n PRO 100 Cb 0.46 -2.05 0.24 0.00 -0.02 0.00 0.00 33.50 32.14 3f5x n PRO 100 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3f5x h LEU 101 N 1.19 0.88 -1.46 2.45 4.07 -1.98 -1.64 115.31 118.82 3f5x h LEU 101 Ca -0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.46 3f5x h LEU 101 Cb 1.35 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 3f5x h LEU 101 CO 0.55 0.61 0.03 -0.65 -1.08 0.00 0.00 178.44 177.89 3f5x h PRO 102 N 1.02 0.38 -0.07 1.13 0.11 -1.99 -0.06 132.00 132.52 3f5x h PRO 102 Ca 0.33 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.17 3f5x h PRO 102 Cb 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3f5x h PRO 102 CO -0.10 0.38 -0.81 1.25 -0.21 0.00 0.00 178.00 178.52 3f5x h LEU 103 N 0.37 0.61 -0.42 2.35 5.85 -1.69 -2.00 115.31 120.38 3f5x h LEU 103 Ca 0.09 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3f5x h LEU 103 Cb 0.20 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3f5x h LEU 103 CO 0.00 1.20 0.17 0.40 -0.34 0.00 0.00 178.44 179.87 3f5x h ILE 104 N 0.32 1.20 -0.38 4.05 2.04 -0.87 -0.01 117.51 123.86 3f5x h ILE 104 Ca -0.05 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3f5x h ILE 104 Cb 1.42 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3f5x h ILE 104 CO 0.15 0.22 0.19 0.50 0.00 0.00 0.00 178.15 179.21 3f5x h LYS 105 N 0.54 0.53 -0.18 2.37 3.64 -1.04 -1.14 116.57 121.29 3f5x h LYS 105 Ca 0.14 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3f5x h LYS 105 Cb 0.18 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3f5x h LYS 105 CO -0.01 0.46 -0.17 1.03 -2.27 0.00 0.00 179.45 178.49 3f5x h SER 106 N 0.47 -0.52 -0.60 4.20 0.87 -1.20 -0.75 113.55 116.02 3f5x h SER 106 Ca 0.13 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3f5x h SER 106 Cb 0.09 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3f5x h SER 106 CO -0.02 -0.21 0.28 1.88 -0.53 0.00 0.00 176.83 178.23 3f5x h TYR 107 N -0.18 0.87 -0.50 2.24 -1.99 -0.80 -0.93 116.97 115.68 3f5x h TYR 107 Ca 0.11 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 3f5x h TYR 107 Cb 0.35 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 3f5x h TYR 107 CO -0.30 0.67 -0.09 1.25 -0.00 0.00 0.00 178.16 179.69 3f5x h LEU 108 N 0.82 0.91 -0.15 3.88 5.85 -1.08 -0.60 115.31 124.94 3f5x h LEU 108 Ca 0.20 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3f5x h LEU 108 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3f5x h LEU 108 CO -0.02 1.02 0.09 0.15 -0.34 0.00 0.00 178.44 179.34 3f5x h PHE 109 N 0.83 0.19 -0.52 1.25 3.57 -0.79 -1.02 116.94 120.45 3f5x h PHE 109 Ca 0.14 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3f5x h PHE 109 Cb 0.62 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3f5x h PHE 109 CO 0.04 0.16 0.12 1.96 -2.23 0.00 0.00 178.31 178.36 3f5x h GLN 110 N 0.17 0.85 -0.56 1.11 4.20 -1.05 -2.11 115.11 117.72 3f5x h GLN 110 Ca 0.05 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3f5x h GLN 110 Cb 0.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3f5x h GLN 110 CO -0.01 0.81 0.13 -0.07 -0.67 0.00 0.00 178.83 179.02 3f5x h LEU 111 N 0.74 0.80 -0.88 1.46 3.38 -0.99 -0.13 115.31 119.69 3f5x h LEU 111 Ca 0.16 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3f5x h LEU 111 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3f5x h LEU 111 CO 0.00 0.79 -0.44 -0.07 0.09 0.00 0.00 178.44 178.81 3f5x h LEU 112 N 0.83 0.28 -0.28 1.67 3.38 -1.05 -0.17 115.31 119.97 3f5x h LEU 112 Ca 0.18 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3f5x h LEU 112 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3f5x h LEU 112 CO -0.00 0.69 -0.22 1.56 0.09 0.00 0.00 178.44 180.55 3f5x h GLN 113 N 0.22 0.64 -0.61 1.13 4.20 -0.81 0.26 115.11 120.14 3f5x h GLN 113 Ca 0.02 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.45 3f5x h GLN 113 Cb 0.86 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 3f5x h GLN 113 CO 0.07 0.92 0.35 0.78 -0.67 0.00 0.00 178.83 180.27 3f5x h GLY 114 N 0.37 0.88 0.81 3.46 0.00 -0.95 -2.57 103.07 105.08 3f5x h GLY 114 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3f5x h GLY 114 CO 0.06 0.18 -0.18 1.41 0.00 0.00 0.00 176.54 178.01 3f5x h LEU 115 N 0.67 0.49 -1.08 3.11 3.38 -0.88 -2.37 115.31 118.63 3f5x h LEU 115 Ca 0.26 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3f5x h LEU 115 Cb 0.11 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3f5x h LEU 115 CO -0.14 0.86 0.62 0.00 0.09 0.00 0.00 178.44 179.86 3f5x h ALA 116 N 0.64 1.57 -0.14 1.53 0.00 -0.46 -0.09 119.26 122.32 3f5x h ALA 116 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f5x h ALA 116 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3f5x h ALA 116 CO 0.04 0.20 0.01 0.35 0.00 0.00 0.00 179.25 179.86 3f5x h PHE 117 N 0.96 0.26 -0.40 0.00 3.57 -1.36 -0.56 116.94 119.40 3f5x h PHE 117 Ca 0.47 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 62.01 3f5x h PHE 117 Cb 0.47 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 3f5x h PHE 117 CO -0.00 0.45 -0.21 0.00 -2.23 0.00 0.00 178.31 176.31 3f5x h HIS 119 N -0.14 1.12 0.00 0.00 3.86 -0.89 0.52 115.15 119.62 3f5x h HIS 119 Ca 0.20 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3f5x h HIS 119 Cb 0.44 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3f5x h HIS 119 CO -0.45 1.14 -0.05 0.66 0.86 0.00 0.00 177.93 180.10 3f5x h SER 120 N 0.79 0.00 -0.78 2.45 4.64 -0.97 -1.38 113.55 118.29 3f5x h SER 120 Ca 0.08 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.10 3f5x h SER 120 Cb 0.92 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.84 3f5x h SER 120 CO 0.09 0.05 0.38 1.41 -0.87 0.00 0.00 176.83 177.88 3f5x n HIS 121 N -3.98 2.51 -4.24 4.77 8.25 -0.76 -4.94 115.22 116.82 3f5x n HIS 121 Ca -0.03 -1.34 -0.36 0.00 -0.26 0.00 0.00 57.72 55.73 3f5x n HIS 121 Cb 0.14 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.47 3f5x n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3f5x n ARG 122 N -0.41 -2.87 -4.41 -0.41 -4.01 -0.52 -4.94 116.66 99.08 3f5x n ARG 122 Ca 0.44 0.34 -0.33 0.00 -1.04 0.00 0.00 57.85 57.26 3f5x n ARG 122 Cb 1.42 -4.98 -0.15 0.00 -3.04 0.00 0.00 32.46 25.71 3f5x n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3f5x s VAL 123 N -3.36 2.83 -0.21 8.89 1.01 0.10 -1.10 120.40 128.56 3f5x s VAL 123 Ca 0.68 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3f5x s VAL 123 Cb -0.38 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3f5x s VAL 123 CO 0.94 0.50 0.32 -0.76 0.00 0.00 0.00 175.10 176.09 3f5x s LEU 124 N 0.90 4.14 -0.04 3.92 1.43 0.29 -3.68 118.68 125.65 3f5x s LEU 124 Ca -0.03 0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 53.22 3f5x s LEU 124 Cb -0.15 -2.37 -0.17 0.00 0.03 0.00 0.00 46.19 43.52 3f5x s LEU 124 CO -0.01 -0.02 0.99 -0.74 0.23 0.00 0.00 176.35 176.80 3f5x h HIS 125 N 7.39 -0.17 0.00 0.29 -0.00 -1.91 -0.41 115.15 120.34 3f5x h HIS 125 Ca -0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3f5x h HIS 125 Cb 1.16 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3f5x h HIS 125 CO 0.67 0.29 0.00 0.54 -0.00 0.00 0.00 177.93 179.43 3f5x n ARG 126 N -4.92 0.00 -2.74 5.26 1.74 -1.26 -3.19 116.66 111.55 3f5x n ARG 126 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 3f5x n ARG 126 Cb 0.27 -2.98 0.08 0.00 -1.02 0.00 0.00 32.46 28.81 3f5x n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3f5x n ASP 127 N 0.00 0.15 -4.59 0.55 2.03 -1.26 -3.78 116.55 109.65 3f5x n ASP 127 Ca 0.00 -2.22 -0.42 0.00 0.52 0.00 0.00 54.79 52.67 3f5x n ASP 127 Cb 0.00 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 3f5x n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3f5x s LEU 128 N -3.78 3.50 0.04 -2.67 1.43 -1.26 -4.85 118.68 111.09 3f5x s LEU 128 Ca 0.20 0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3f5x s LEU 128 Cb 0.39 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 3f5x s LEU 128 CO -0.07 -1.68 0.06 -1.59 0.23 0.00 0.00 176.35 173.31 3f5x s LYS 129 N 5.50 0.59 0.55 1.70 -2.85 -1.26 -4.81 119.74 119.16 3f5x s LYS 129 Ca 0.67 -0.88 0.28 0.00 -1.00 0.00 0.00 55.97 55.04 3f5x s LYS 129 Cb -0.16 0.22 1.45 0.00 -2.06 0.00 0.00 37.83 37.28 3f5x s LYS 129 CO 0.31 -0.14 1.94 -1.35 0.10 0.00 0.00 175.35 176.21 3f5x h PRO 130 N 3.56 0.00 -0.00 1.78 0.11 -1.94 0.47 132.00 135.98 3f5x h PRO 130 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3f5x h PRO 130 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3f5x h PRO 130 CO 0.54 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.18 3f5x n GLN 131 N -4.20 0.22 -0.27 1.05 10.64 -1.26 -1.93 117.38 121.63 3f5x n GLN 131 Ca 0.12 -0.06 0.11 0.00 -1.83 0.00 0.00 57.00 55.34 3f5x n GLN 131 Cb 0.74 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.89 3f5x n GLN 131 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3f5x n ASN 132 N -1.34 3.34 -4.24 2.61 4.13 0.15 -4.84 115.26 115.07 3f5x n ASN 132 Ca 0.09 -1.98 -0.34 0.00 1.68 0.00 0.00 54.58 54.03 3f5x n ASN 132 Cb 0.31 -0.36 -0.15 0.00 -1.54 0.00 0.00 39.78 38.04 3f5x n ASN 132 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3f5x s LEU 133 N -1.17 2.57 -0.07 3.41 1.43 -1.11 -1.40 118.68 122.34 3f5x s LEU 133 Ca 0.41 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3f5x s LEU 133 Cb 0.22 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3f5x s LEU 133 CO 0.30 0.00 -0.02 -0.76 0.23 0.00 0.00 176.35 176.10 3f5x s LEU 134 N 1.32 3.43 0.20 1.79 1.43 -0.59 -0.78 118.68 125.48 3f5x s LEU 134 Ca 0.04 0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.30 3f5x s LEU 134 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3f5x s LEU 134 CO -0.06 0.36 -0.19 0.27 0.23 0.00 0.00 176.35 176.95 3f5x s ILE 135 N -0.90 2.03 0.43 -0.59 -4.36 0.49 -0.48 121.20 117.83 3f5x s ILE 135 Ca 0.14 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3f5x s ILE 135 Cb -0.11 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3f5x s ILE 135 CO 0.03 -0.33 0.05 0.54 0.24 0.00 0.00 174.94 175.47 3f5x s ASN 136 N -2.90 3.44 0.53 4.36 2.20 -0.83 -1.23 114.94 120.51 3f5x s ASN 136 Ca 0.20 -1.56 0.31 0.00 -0.94 0.00 0.00 52.86 50.87 3f5x s ASN 136 Cb -0.05 0.25 1.36 0.00 -2.00 0.00 0.00 41.25 40.81 3f5x s ASN 136 CO 0.09 -0.76 1.99 0.71 -2.94 0.00 0.00 177.10 176.19 3f5x h THR 137 N 1.67 0.24 -0.05 0.54 1.35 -1.92 -3.00 112.91 111.73 3f5x h THR 137 Ca -0.41 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3f5x h THR 137 Cb 1.28 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3f5x h THR 137 CO 0.70 0.08 0.00 -1.84 -0.25 0.00 0.00 175.52 174.21 3f5x n GLU 138 N -3.26 1.58 -0.06 4.72 0.00 -1.26 -4.38 120.64 117.98 3f5x n GLU 138 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 57.16 56.31 3f5x n GLU 138 Cb 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.29 3f5x n GLU 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3f5x n GLY 139 N 1.13 0.97 3.83 -1.84 0.00 -1.13 -4.65 105.19 103.49 3f5x n GLY 139 Ca 0.19 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3f5x n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x s ALA 140 N -2.00 3.41 -0.01 4.61 0.00 -1.26 -4.91 121.76 121.60 3f5x s ALA 140 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.07 3f5x s ALA 140 Cb 0.00 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3f5x s ALA 140 CO 0.00 0.35 -0.12 -1.50 0.00 0.00 0.00 175.76 174.49 3f5x s ILE 141 N -1.67 0.93 0.05 0.00 2.07 -1.26 -1.95 121.20 119.36 3f5x s ILE 141 Ca 0.46 -0.50 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3f5x s ILE 141 Cb -0.14 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 3f5x s ILE 141 CO 0.20 0.26 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.87 3f5x s LYS 142 N -0.25 0.56 0.21 3.50 1.02 0.37 -4.64 119.74 120.50 3f5x s LYS 142 Ca 0.04 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 3f5x s LYS 142 Cb -0.05 -0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 36.89 3f5x s LYS 142 CO -0.00 0.04 1.14 -0.51 -0.92 0.00 0.00 175.35 175.10 3f5x s LEU 143 N -1.72 4.49 0.38 3.17 1.43 -0.41 -1.54 118.68 124.47 3f5x s LEU 143 Ca -0.08 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 3f5x s LEU 143 Cb -0.09 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3f5x s LEU 143 CO -0.00 -0.26 0.21 0.00 0.23 0.00 0.00 176.35 176.53 3f5x s ALA 144 N -0.43 2.44 -0.42 4.21 0.00 -0.49 -1.74 121.76 125.33 3f5x s ALA 144 Ca 0.49 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 3f5x s ALA 144 Cb -0.31 1.13 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3f5x s ALA 144 CO 0.38 -0.51 0.58 -3.47 0.00 0.00 0.00 175.76 172.73 3f5x n ASP 145 N -1.49 -6.99 -2.09 0.00 -0.08 -1.26 -4.82 116.55 99.81 3f5x n ASP 145 Ca 0.01 0.32 -0.12 0.00 -1.51 0.00 0.00 54.79 53.49 3f5x n ASP 145 Cb 0.63 -3.85 0.27 0.00 2.34 0.00 0.00 41.12 40.51 3f5x n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3f5x n PHE 146 N -0.15 2.67 -0.11 -0.67 3.01 -1.26 -4.57 117.46 116.37 3f5x n PHE 146 Ca 0.03 -1.39 -0.02 0.00 1.01 0.00 0.00 57.45 57.08 3f5x n PHE 146 Cb 0.52 -0.77 0.22 0.00 -0.01 0.00 0.00 39.48 39.45 3f5x n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3f5x h GLY 147 N 2.23 0.84 -0.95 1.37 0.00 -1.92 -2.56 103.07 102.08 3f5x h GLY 147 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3f5x h GLY 147 CO 0.86 0.43 -0.05 1.04 0.00 0.00 0.00 176.54 178.82 3f5x n LEU 148 N -4.30 2.01 -4.76 3.11 4.77 -1.26 -4.49 117.00 112.07 3f5x n LEU 148 Ca 0.04 -0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 55.01 3f5x n LEU 148 Cb 0.20 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3f5x n LEU 148 CO 0.39 0.34 0.78 0.00 -1.33 0.00 0.00 177.39 177.57 3f5x s ALA 149 N -2.07 2.53 -0.06 -1.18 0.00 -0.96 -4.77 121.76 115.25 3f5x s ALA 149 Ca 0.32 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.96 3f5x s ALA 149 Cb 0.20 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.97 3f5x s ALA 149 CO 0.35 -1.14 0.20 1.03 0.00 0.00 0.00 175.76 176.21 3f5x s ARG 150 N -3.67 0.31 0.18 0.00 0.52 -0.16 -4.85 118.95 111.27 3f5x s ARG 150 Ca 0.71 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 3f5x s ARG 150 Cb -0.24 0.14 -0.08 0.00 0.52 0.00 0.00 34.95 35.29 3f5x s ARG 150 CO 0.35 -0.05 1.12 0.00 0.02 0.00 0.00 175.30 176.74 3f5x s ALA 151 N -0.24 3.38 -0.22 2.13 0.00 -1.26 -0.55 121.76 125.01 3f5x s ALA 151 Ca -0.03 0.85 0.11 0.00 0.00 0.00 0.00 51.96 52.88 3f5x s ALA 151 Cb -0.03 -3.37 0.43 0.00 0.00 0.00 0.00 23.12 20.16 3f5x s ALA 151 CO 0.01 -0.25 1.21 1.97 0.00 0.00 0.00 175.76 178.69 3f5x n PHE 152 N 2.43 0.71 0.12 0.00 -1.74 -0.26 -4.62 117.46 114.11 3f5x n PHE 152 Ca 0.03 -1.64 0.14 0.00 -0.56 0.00 0.00 57.45 55.42 3f5x n PHE 152 Cb 0.46 -0.27 0.67 0.00 1.52 0.00 0.00 39.48 41.86 3f5x n PHE 152 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3f5x h GLY 153 N 1.32 0.00 -5.49 4.97 0.00 -1.94 -3.34 103.07 98.59 3f5x h GLY 153 Ca 0.08 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.75 3f5x h GLY 153 CO 0.20 0.00 -0.77 0.14 0.00 0.00 0.00 176.54 176.10 3f5x s VAL 154 N -5.04 2.99 0.22 4.60 1.01 -1.26 -5.11 120.40 117.81 3f5x s VAL 154 Ca -0.05 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 3f5x s VAL 154 Cb 0.18 -2.24 -0.15 0.00 0.00 0.00 0.00 36.38 34.18 3f5x s VAL 154 CO 0.70 0.54 1.09 -2.65 0.00 0.00 0.00 175.10 174.77 3f5x n PRO 155 N 3.33 1.21 -3.06 2.72 -0.02 -1.26 -4.92 135.00 133.01 3f5x n PRO 155 Ca -0.18 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3f5x n PRO 155 Cb 0.53 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 3f5x n PRO 155 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3f5x s VAL 156 N -0.55 4.98 0.05 -1.45 1.01 -1.26 -4.99 120.40 118.18 3f5x s VAL 156 Ca 0.67 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.62 3f5x s VAL 156 Cb -0.79 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 31.54 3f5x s VAL 156 CO 0.55 0.06 1.29 -0.13 0.00 0.00 0.00 175.10 176.88 3f5x s ARG 157 N 2.16 4.36 0.62 2.72 0.52 -1.26 -0.95 118.95 127.12 3f5x s ARG 157 Ca 0.30 1.88 -0.18 0.00 -0.52 0.00 0.00 55.73 57.21 3f5x s ARG 157 Cb -0.16 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 3f5x s ARG 157 CO 0.10 -0.39 1.23 0.95 0.02 0.00 0.00 175.30 177.21 3f5x s THR 158 N 1.47 2.43 0.52 0.02 -4.23 -0.21 -4.81 115.64 110.83 3f5x s THR 158 Ca 0.61 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.46 3f5x s THR 158 Cb -0.31 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.48 3f5x s THR 158 CO 0.28 -0.06 0.52 -0.72 -0.54 0.00 0.00 174.62 174.10 3f5x s TYR 159 N -1.56 1.86 -0.23 3.99 -0.00 -1.26 -4.98 117.35 115.17 3f5x s TYR 159 Ca 0.79 -0.71 0.21 0.00 -0.00 0.00 0.00 57.07 57.36 3f5x s TYR 159 Cb -0.32 -2.08 0.00 0.00 -0.00 0.00 0.00 41.96 39.56 3f5x s TYR 159 CO 0.36 -0.60 1.06 0.00 -0.00 0.00 0.00 175.55 176.37 3f5x h THR 160 N 0.64 0.11 0.00 -3.49 1.03 -2.00 -3.44 112.91 105.75 3f5x h THR 160 Ca -0.36 -1.20 0.00 0.00 -0.01 0.00 0.00 66.41 64.84 3f5x h THR 160 Cb 1.29 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 3f5x h THR 160 CO 0.52 0.06 0.00 1.57 -0.01 0.00 0.00 175.52 177.66 3f5x n HIS 161 N -2.76 0.00 -4.78 0.00 -0.00 -1.26 -5.05 115.22 101.37 3f5x n HIS 161 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.42 3f5x n HIS 161 Cb 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.43 3f5x n HIS 161 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3f5x s GLU 162 N 0.00 2.43 0.00 1.57 4.04 -1.26 -5.04 118.70 120.44 3f5x s GLU 162 Ca 0.00 -0.66 0.00 0.00 0.04 0.00 0.00 54.97 54.35 3f5x s GLU 162 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 34.13 32.21 3f5x s GLU 162 CO 0.00 0.05 0.00 1.33 -1.84 0.00 0.00 175.26 174.80 3f5x n VAL 163 N 3.84 0.00 -0.07 1.83 0.24 -1.26 -4.98 118.33 117.94 3f5x n VAL 163 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3f5x n VAL 163 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3f5x n VAL 163 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3f5x n VAL 164 N 6.08 0.00 -1.09 3.34 3.14 -1.25 -4.59 118.33 123.97 3f5x n VAL 164 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 3f5x n VAL 164 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3f5x n VAL 164 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3f5x n THR 165 N 0.29 0.77 -0.31 1.55 5.66 -1.26 -4.60 114.28 116.37 3f5x n THR 165 Ca 0.00 -0.41 0.09 0.00 -3.05 0.00 0.00 64.05 60.68 3f5x n THR 165 Cb 0.00 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.09 3f5x n THR 165 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3f5x h LEU 166 N 0.38 0.79 -2.27 1.09 5.85 -1.94 -2.54 115.31 116.68 3f5x h LEU 166 Ca -0.29 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3f5x h LEU 166 Cb 1.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3f5x h LEU 166 CO 0.40 0.41 -0.05 -0.50 -0.34 0.00 0.00 178.44 178.37 3f5x h TRP 167 N 0.85 0.00 -0.25 1.25 4.06 -1.85 -2.43 115.95 117.56 3f5x h TRP 167 Ca 0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 3f5x h TRP 167 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 3f5x h TRP 167 CO -0.00 0.05 0.00 0.66 -3.56 0.00 0.00 178.44 175.59 3f5x n TYR 168 N -3.57 0.37 -2.69 0.49 4.01 -0.96 -4.61 117.16 110.19 3f5x n TYR 168 Ca -0.02 -0.52 -0.41 0.00 -0.16 0.00 0.00 57.90 56.79 3f5x n TYR 168 Cb 0.16 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3f5x n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3f5x s ARG 169 N -1.10 4.73 0.47 -0.72 3.52 -0.92 -4.04 118.95 120.89 3f5x s ARG 169 Ca 0.18 1.52 -0.18 0.00 -0.13 0.00 0.00 55.73 57.13 3f5x s ARG 169 Cb 0.10 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 30.08 3f5x s ARG 169 CO 0.11 0.28 0.95 0.00 -0.81 0.00 0.00 175.30 175.84 3f5x s ALA 170 N -0.44 3.08 0.31 6.12 0.00 -1.26 -4.92 121.76 124.65 3f5x s ALA 170 Ca 0.45 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3f5x s ALA 170 Cb -0.25 -3.10 0.58 0.00 0.00 0.00 0.00 23.12 20.34 3f5x s ALA 170 CO 0.32 -0.07 1.91 -1.00 0.00 0.00 0.00 175.76 176.92 3f5x h PRO 171 N 1.35 0.94 -0.71 0.00 0.13 -1.96 -1.79 132.00 129.97 3f5x h PRO 171 Ca -0.48 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3f5x h PRO 171 Cb 1.18 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 3f5x h PRO 171 CO 0.62 0.62 0.47 0.93 -0.23 0.00 0.00 178.00 180.41 3f5x h GLU 172 N 0.97 0.89 -0.06 0.86 3.07 -1.94 0.28 114.58 118.65 3f5x h GLU 172 Ca 0.38 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 3f5x h GLU 172 Cb 0.24 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3f5x h GLU 172 CO -0.14 0.59 -0.05 0.82 -1.40 0.00 0.00 179.01 178.83 3f5x h ILE 173 N 0.92 1.36 -0.99 3.13 2.04 -1.69 0.66 117.51 122.95 3f5x h ILE 173 Ca 0.27 -1.17 0.07 0.00 1.00 0.00 0.00 64.86 65.02 3f5x h ILE 173 Cb -0.05 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 3f5x h ILE 173 CO -0.06 0.32 0.63 -0.07 0.00 0.00 0.00 178.15 178.97 3f5x h LEU 174 N -0.29 1.01 -0.42 1.44 3.38 -1.03 -0.59 115.31 118.81 3f5x h LEU 174 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3f5x h LEU 174 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3f5x h LEU 174 CO 0.01 0.64 0.00 0.18 0.09 0.00 0.00 178.44 179.36 3f5x n LEU 175 N -4.52 0.60 -0.76 1.67 4.77 0.94 -4.83 117.00 114.87 3f5x n LEU 175 Ca 0.15 -0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 3f5x n LEU 175 Cb 0.19 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3f5x n LEU 175 CO 0.32 0.14 -0.03 0.61 -1.33 0.00 0.00 177.39 177.10 3f5x n GLY 176 N 0.64 0.28 3.64 -0.72 0.00 -0.23 -2.56 105.19 106.23 3f5x n GLY 176 Ca 0.03 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3f5x n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x h LYS 178 N -0.74 0.30 -6.45 0.00 3.64 -1.95 -3.44 116.57 107.93 3f5x h LYS 178 Ca -0.46 -0.52 -0.65 0.00 -1.27 0.00 0.00 60.65 57.74 3f5x h LYS 178 Cb 1.31 0.19 -0.27 0.00 -0.41 0.00 0.00 32.23 33.05 3f5x h LYS 178 CO 0.45 1.20 -0.87 0.71 -2.27 0.00 0.00 179.45 178.67 3f5x s TYR 179 N -2.62 2.12 0.76 1.91 2.02 -1.26 -1.04 117.35 119.23 3f5x s TYR 179 Ca -0.08 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 3f5x s TYR 179 Cb 0.06 -1.29 0.05 0.00 -0.40 0.00 0.00 41.96 40.39 3f5x s TYR 179 CO 0.87 0.08 1.10 0.71 -1.57 0.00 0.00 175.55 176.74 3f5x s TYR 180 N -0.75 2.55 0.28 2.71 1.51 -0.12 -4.82 117.35 118.71 3f5x s TYR 180 Ca 0.10 1.56 0.03 0.00 -1.01 0.00 0.00 57.07 57.75 3f5x s TYR 180 Cb -0.09 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.65 3f5x s TYR 180 CO 0.01 -1.82 0.19 -1.54 -1.11 0.00 0.00 175.55 171.29 3f5x s SER 181 N -3.26 1.15 0.58 2.29 1.04 -1.26 -4.51 113.70 109.72 3f5x s SER 181 Ca 0.62 -1.57 0.35 0.00 0.48 0.00 0.00 55.95 55.83 3f5x s SER 181 Cb -0.18 0.44 1.76 0.00 0.10 0.00 0.00 66.02 68.14 3f5x s SER 181 CO 0.54 -0.93 2.15 0.71 0.98 0.00 0.00 173.24 176.69 3f5x h THR 182 N 2.32 0.20 -0.73 2.02 1.35 -1.98 -2.84 112.91 113.25 3f5x h THR 182 Ca -0.31 -0.35 0.17 0.00 -0.55 0.00 0.00 66.41 65.37 3f5x h THR 182 Cb 1.24 1.28 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 3f5x h THR 182 CO 0.47 0.04 0.50 0.00 -0.25 0.00 0.00 175.52 176.28 3f5x h ALA 183 N 1.96 2.31 -0.45 6.62 0.00 -1.93 -2.20 119.26 125.56 3f5x h ALA 183 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3f5x h ALA 183 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3f5x h ALA 183 CO 0.01 -0.51 0.07 -0.39 0.00 0.00 0.00 179.25 178.42 3f5x h VAL 184 N 0.26 1.21 -0.43 0.00 -1.51 -1.91 -0.36 116.25 113.51 3f5x h VAL 184 Ca 0.36 -0.81 -0.07 0.00 -1.23 0.00 0.00 66.70 64.95 3f5x h VAL 184 Cb 1.02 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 3f5x h VAL 184 CO -0.08 0.29 0.01 0.44 -1.23 0.00 0.00 177.57 177.00 3f5x h ASP 185 N 0.67 0.73 -0.74 4.19 3.32 -1.61 -2.66 116.42 120.32 3f5x h ASP 185 Ca 0.14 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3f5x h ASP 185 Cb 0.32 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3f5x h ASP 185 CO 0.00 0.86 0.30 0.40 -1.72 0.00 0.00 179.24 179.08 3f5x h ILE 186 N 0.59 1.25 0.06 0.35 1.08 -1.33 -2.27 117.51 117.25 3f5x h ILE 186 Ca 0.12 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3f5x h ILE 186 Cb 0.47 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 3f5x h ILE 186 CO 0.02 0.32 -0.20 -0.25 -0.69 0.00 0.00 178.15 177.35 3f5x h TRP 187 N 1.06 -0.53 -1.00 1.37 2.91 -1.03 -0.85 115.95 117.88 3f5x h TRP 187 Ca 0.25 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.38 3f5x h TRP 187 Cb 0.21 0.23 -0.08 0.00 -0.51 0.00 0.00 29.16 29.01 3f5x h TRP 187 CO 0.02 -0.29 0.64 0.77 -1.03 0.00 0.00 178.44 178.54 3f5x h SER 188 N -0.36 0.96 -0.45 2.65 0.02 -1.29 -1.48 113.55 113.60 3f5x h SER 188 Ca 0.04 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 3f5x h SER 188 Cb 0.40 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3f5x h SER 188 CO -0.14 0.54 -0.25 0.25 -1.14 0.00 0.00 176.83 176.09 3f5x h LEU 189 N 1.05 0.99 -0.41 5.07 5.85 -1.08 -1.12 115.31 125.67 3f5x h LEU 189 Ca 0.48 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3f5x h LEU 189 Cb 0.39 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3f5x h LEU 189 CO -0.24 1.19 -0.01 1.23 -0.34 0.00 0.00 178.44 180.27 3f5x h GLY 190 N 0.80 0.40 1.05 3.75 0.00 -0.46 0.28 103.07 108.88 3f5x h GLY 190 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3f5x h GLY 190 CO 0.07 -0.11 0.59 0.00 0.00 0.00 0.00 176.54 177.09 3f5x h ILE 192 N 1.29 1.29 0.27 0.00 2.04 -0.67 -1.54 117.51 120.20 3f5x h ILE 192 Ca 0.34 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3f5x h ILE 192 Cb -0.09 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3f5x h ILE 192 CO -0.07 0.46 -0.48 0.15 0.00 0.00 0.00 178.15 178.21 3f5x h PHE 193 N 0.54 -1.36 -0.71 1.37 3.57 -0.15 -1.29 116.94 118.91 3f5x h PHE 193 Ca 0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.71 3f5x h PHE 193 Cb 0.84 0.56 -0.09 0.00 2.79 0.00 0.00 35.95 40.05 3f5x h PHE 193 CO 0.07 -0.60 0.27 0.00 -2.23 0.00 0.00 178.31 175.82 3f5x h ALA 194 N -0.54 0.96 -0.33 2.41 0.00 -1.23 -1.71 119.26 118.82 3f5x h ALA 194 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3f5x h ALA 194 Cb 0.78 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3f5x h ALA 194 CO -0.18 -0.20 0.10 1.49 0.00 0.00 0.00 179.25 180.46 3f5x h GLU 195 N 0.44 0.46 -0.30 0.00 4.81 -0.89 0.94 114.58 120.04 3f5x h GLU 195 Ca 0.38 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3f5x h GLU 195 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3f5x h GLU 195 CO -0.37 0.41 -0.11 0.52 -0.73 0.00 0.00 179.01 178.73 3f5x h MET 196 N 0.46 0.61 -0.32 1.92 2.86 -0.37 -0.96 114.93 119.12 3f5x h MET 196 Ca 0.11 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3f5x h MET 196 Cb 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3f5x h MET 196 CO -0.01 0.82 -0.03 0.28 1.06 0.00 0.00 176.91 179.04 3f5x h VAL 197 N 0.37 1.27 0.00 -2.22 2.07 -0.67 -3.31 116.25 113.75 3f5x h VAL 197 Ca 0.07 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3f5x h VAL 197 Cb 0.62 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3f5x h VAL 197 CO 0.04 0.33 -1.29 0.35 0.02 0.00 0.00 177.57 177.02 3f5x n THR 198 N -4.50 0.26 -1.42 2.57 -2.24 0.25 -4.89 114.28 104.30 3f5x n THR 198 Ca -0.02 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3f5x n THR 198 Cb 0.29 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 3f5x n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f5x n ARG 199 N -2.26 -0.66 -3.78 -0.78 1.74 -0.37 -5.02 116.66 105.52 3f5x n ARG 199 Ca -0.00 0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 57.71 3f5x n ARG 199 Cb 0.51 -4.67 -0.09 0.00 -1.02 0.00 0.00 32.46 27.18 3f5x n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3f5x s ARG 200 N -3.07 0.56 0.28 5.56 0.52 -1.19 -5.04 118.95 116.57 3f5x s ARG 200 Ca 0.00 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.82 3f5x s ARG 200 Cb 0.00 0.25 -0.13 0.00 0.52 0.00 0.00 34.95 35.59 3f5x s ARG 200 CO 0.00 -0.14 1.31 0.00 0.02 0.00 0.00 175.30 176.49 3f5x n ALA 201 N 1.68 0.98 -0.06 2.13 0.00 -1.26 -4.08 120.51 119.90 3f5x n ALA 201 Ca -0.20 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 3f5x n ALA 201 Cb 0.56 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 3f5x n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3f5x h LEU 202 N 3.27 0.70 -6.17 0.00 6.46 -1.92 -3.39 115.31 114.27 3f5x h LEU 202 Ca -0.45 -0.56 -0.58 0.00 -0.12 0.00 0.00 57.88 56.18 3f5x h LEU 202 Cb 1.29 -0.20 -0.40 0.00 -0.73 0.00 0.00 40.66 40.62 3f5x h LEU 202 CO 0.69 1.13 -0.96 0.49 -0.62 0.00 0.00 178.44 179.17 3f5x n PHE 203 N -4.23 0.48 -1.95 1.25 3.72 -1.26 -4.99 117.46 110.47 3f5x n PHE 203 Ca -0.06 -3.67 -0.42 0.00 -0.05 0.00 0.00 57.45 53.25 3f5x n PHE 203 Cb 0.55 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3f5x n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3f5x n PRO 204 N 1.61 2.99 -2.41 -1.08 -0.04 -1.26 -4.51 135.00 130.30 3f5x n PRO 204 Ca 0.24 -2.82 -0.40 0.00 -0.04 0.00 0.00 63.50 60.48 3f5x n PRO 204 Cb 0.49 -3.29 -0.04 0.00 -0.04 0.00 0.00 33.50 30.62 3f5x n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3f5x s GLY 205 N 3.14 3.05 0.11 0.55 0.00 -1.26 -4.95 107.32 107.96 3f5x s GLY 205 Ca 0.47 0.96 0.26 0.00 0.00 0.00 0.00 44.72 46.42 3f5x s GLY 205 CO -0.05 1.58 1.64 1.22 0.00 0.00 0.00 173.10 177.49 3f5x n ASP 206 N 1.16 0.57 -3.50 1.64 8.00 -1.26 -4.79 116.55 118.37 3f5x n ASP 206 Ca -0.01 0.34 -0.06 0.00 0.71 0.00 0.00 54.79 55.77 3f5x n ASP 206 Cb 0.44 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3f5x n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3f5x s SER 207 N -3.93 -0.13 0.11 -2.24 1.04 -1.26 -5.01 113.70 102.28 3f5x s SER 207 Ca 0.10 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 55.60 3f5x s SER 207 Cb 0.15 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.87 3f5x s SER 207 CO 0.63 -1.30 1.74 -0.33 0.98 0.00 0.00 173.24 174.96 3f5x h GLU 208 N 2.00 0.10 -0.41 4.02 5.08 -1.98 0.70 114.58 124.08 3f5x h GLU 208 Ca -0.25 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3f5x h GLU 208 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3f5x h GLU 208 CO 0.30 0.07 -0.10 0.82 -1.00 0.00 0.00 179.01 179.10 3f5x h ILE 209 N 0.10 1.27 -0.74 3.13 2.04 -1.97 -1.33 117.51 120.01 3f5x h ILE 209 Ca 0.06 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3f5x h ILE 209 Cb 0.04 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3f5x h ILE 209 CO -0.07 0.40 0.32 -0.78 0.00 0.00 0.00 178.15 178.02 3f5x h ASP 210 N 0.62 0.99 0.38 1.72 3.58 -1.90 -0.71 116.42 121.10 3f5x h ASP 210 Ca 0.11 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3f5x h ASP 210 Cb 0.62 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 3f5x h ASP 210 CO 0.04 0.86 -0.21 -0.61 -2.88 0.00 0.00 179.24 176.45 3f5x h GLN 211 N 1.06 -0.53 -0.52 0.28 5.75 0.68 -1.59 115.11 120.25 3f5x h GLN 211 Ca 0.25 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.89 3f5x h GLN 211 Cb 0.17 0.12 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 3f5x h GLN 211 CO -0.03 -0.35 -0.05 -0.07 -2.65 0.00 0.00 178.83 175.69 3f5x h LEU 212 N -0.55 -0.32 -0.63 -2.39 3.38 -1.04 -2.60 115.31 111.17 3f5x h LEU 212 Ca -0.05 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3f5x h LEU 212 Cb 0.44 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3f5x h LEU 212 CO 0.06 -0.12 -0.44 -0.26 0.09 0.00 0.00 178.44 177.78 3f5x h PHE 213 N 0.07 0.69 -0.73 1.13 -1.00 -0.96 -0.02 116.94 116.12 3f5x h PHE 213 Ca 0.26 -0.21 0.02 0.00 2.81 0.00 0.00 57.97 60.85 3f5x h PHE 213 Cb 0.40 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 3f5x h PHE 213 CO -0.36 0.91 0.48 0.00 -1.61 0.00 0.00 178.31 177.73 3f5x h ARG 214 N 0.46 0.89 -0.10 1.51 3.08 -1.13 0.29 114.38 119.38 3f5x h ARG 214 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3f5x h ARG 214 Cb 0.95 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 3f5x h ARG 214 CO 0.08 0.59 -0.03 0.82 -1.07 0.00 0.00 179.97 180.37 3f5x h ILE 215 N 0.92 1.29 -0.61 2.04 2.04 -0.98 -2.77 117.51 119.44 3f5x h ILE 215 Ca 0.28 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.23 3f5x h ILE 215 Cb -0.00 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3f5x h ILE 215 CO -0.07 0.27 0.34 -0.26 0.00 0.00 0.00 178.15 178.42 3f5x h PHE 216 N -0.12 0.62 -0.19 1.37 0.04 -0.49 0.22 116.94 118.38 3f5x h PHE 216 Ca 0.03 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3f5x h PHE 216 Cb 0.44 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3f5x h PHE 216 CO 0.05 0.31 -0.04 0.00 -0.60 0.00 0.00 178.31 178.04 3f5x h ARG 217 N 0.64 0.28 0.12 1.51 3.08 -0.45 0.75 114.38 120.31 3f5x h ARG 217 Ca 0.27 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.97 3f5x h ARG 217 Cb 0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3f5x h ARG 217 CO -0.16 0.34 -1.51 1.15 -1.07 0.00 0.00 179.97 178.72 3f5x h THR 218 N 0.28 0.97 0.00 2.04 2.02 -1.16 -3.41 112.91 113.65 3f5x h THR 218 Ca 0.06 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3f5x h THR 218 Cb 0.25 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3f5x h THR 218 CO 0.01 0.73 -1.03 0.18 0.37 0.00 0.00 175.52 175.78 3f5x n LEU 219 N -3.85 0.72 0.00 2.58 4.77 0.72 -2.83 117.00 119.11 3f5x n LEU 219 Ca -0.26 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3f5x n LEU 219 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3f5x n LEU 219 CO 0.42 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3f5x n GLY 220 N 1.43 1.45 3.69 -0.72 0.00 0.26 -4.23 105.19 107.07 3f5x n GLY 220 Ca 0.02 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3f5x n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f5x s THR 221 N -1.98 3.59 0.38 2.61 2.01 -0.82 -4.56 115.64 116.87 3f5x s THR 221 Ca 0.00 0.99 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 3f5x s THR 221 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 3f5x s THR 221 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 3f5x s PRO 222 N 2.38 4.19 0.41 4.92 0.04 -1.26 -4.87 135.00 140.82 3f5x s PRO 222 Ca 0.65 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.37 3f5x s PRO 222 Cb -0.33 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3f5x s PRO 222 CO 0.27 -0.14 0.08 0.16 0.04 0.00 0.00 177.00 177.41 3f5x s ASP 223 N -1.35 3.07 0.57 6.66 1.47 -1.26 -4.96 116.67 120.87 3f5x s ASP 223 Ca 0.56 -1.58 0.38 0.00 1.18 0.00 0.00 52.55 53.09 3f5x s ASP 223 Cb -0.26 0.31 2.05 0.00 -0.34 0.00 0.00 42.92 44.68 3f5x s ASP 223 CO 0.32 -0.81 2.17 -0.33 0.68 0.00 0.00 175.17 177.21 3f5x h GLU 224 N 1.76 0.00 0.11 2.11 4.39 -1.97 0.45 114.58 121.43 3f5x h GLU 224 Ca -0.39 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.15 3f5x h GLU 224 Cb 1.27 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.94 3f5x h GLU 224 CO 0.65 0.00 -0.70 0.28 -1.16 0.00 0.00 179.01 178.08 3f5x h VAL 225 N 0.00 1.54 0.01 3.13 2.07 -1.99 -3.03 116.25 117.98 3f5x h VAL 225 Ca 0.00 -2.47 -0.20 0.00 0.82 0.00 0.00 66.70 64.85 3f5x h VAL 225 Cb 0.04 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 3f5x h VAL 225 CO 0.00 0.69 -0.92 1.62 0.02 0.00 0.00 177.57 178.99 3f5x h VAL 226 N -0.42 1.60 -1.94 2.57 3.04 -1.79 -3.41 116.25 115.89 3f5x h VAL 226 Ca -0.12 -2.95 -0.42 0.00 -1.01 0.00 0.00 66.70 62.20 3f5x h VAL 226 Cb 1.54 2.63 -0.31 0.00 -2.01 0.00 0.00 31.29 33.14 3f5x h VAL 226 CO 0.13 0.85 -0.76 0.86 -1.01 0.00 0.00 177.57 177.64 3f5x s TRP 227 N -3.00 -0.00 -0.28 3.17 -0.11 0.09 -4.44 118.94 114.36 3f5x s TRP 227 Ca -0.01 -1.37 -0.34 0.00 1.22 0.00 0.00 56.10 55.60 3f5x s TRP 227 Cb 0.10 -0.47 -0.10 0.00 -1.50 0.00 0.00 33.47 31.50 3f5x s TRP 227 CO 0.82 -0.97 2.13 -2.30 -4.62 0.00 0.00 176.95 172.01 3f5x n PRO 228 N 3.45 1.40 0.00 5.86 -0.02 -1.14 -1.83 135.00 142.71 3f5x n PRO 228 Ca 0.20 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3f5x n PRO 228 Cb 0.48 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3f5x n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f5x n GLY 229 N 6.00 2.11 0.29 -1.23 0.00 -1.26 -5.01 105.19 106.09 3f5x n GLY 229 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.40 3f5x n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3f5x h VAL 230 N 0.00 0.21 0.00 1.61 -1.51 -1.69 -1.64 116.25 113.24 3f5x h VAL 230 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3f5x h VAL 230 Cb 0.00 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 3f5x h VAL 230 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.05 3f5x h THR 231 N 0.00 0.00 -0.01 7.19 1.35 -1.93 -1.86 112.91 117.66 3f5x h THR 231 Ca 0.38 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3f5x h THR 231 Cb 0.59 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3f5x h THR 231 CO -0.81 0.00 -0.31 -1.20 -0.25 0.00 0.00 175.52 172.95 3f5x n SER 232 N -2.74 1.32 -4.77 5.36 7.64 -0.62 -4.90 113.62 114.91 3f5x n SER 232 Ca 0.01 -1.08 -0.40 0.00 1.01 0.00 0.00 58.87 58.41 3f5x n SER 232 Cb 0.26 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3f5x n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3f5x s MET 233 N -2.48 4.40 0.24 1.43 -1.94 -0.70 -4.94 119.30 115.32 3f5x s MET 233 Ca 0.23 1.91 -0.13 0.00 -1.71 0.00 0.00 55.69 55.99 3f5x s MET 233 Cb 0.19 -3.00 0.32 0.00 2.01 0.00 0.00 34.83 34.35 3f5x s MET 233 CO 0.53 -0.04 1.57 -1.35 -0.01 0.00 0.00 175.02 175.72 3f5x h PRO 234 N 3.35 -0.02 -0.65 2.03 0.11 -1.81 -1.50 132.00 133.50 3f5x h PRO 234 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3f5x h PRO 234 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3f5x h PRO 234 CO 0.65 -0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 3f5x n ASP 235 N -5.53 4.55 -4.73 -2.05 8.00 -1.06 -4.90 116.55 110.83 3f5x n ASP 235 Ca 0.11 -2.42 -0.41 0.00 0.71 0.00 0.00 54.79 52.78 3f5x n ASP 235 Cb 0.42 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3f5x n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3f5x s TYR 236 N -1.84 3.79 -0.08 1.24 6.14 -0.57 -4.89 117.35 121.14 3f5x s TYR 236 Ca 0.49 1.77 0.05 0.00 0.64 0.00 0.00 57.07 60.02 3f5x s TYR 236 Cb 0.31 -3.09 -0.00 0.00 0.42 0.00 0.00 41.96 39.60 3f5x s TYR 236 CO 0.23 0.09 -0.23 0.15 0.64 0.00 0.00 175.55 176.43 3f5x s LYS 237 N -0.10 2.69 0.58 4.97 1.02 -1.26 -4.92 119.74 122.72 3f5x s LYS 237 Ca 0.47 -0.84 0.33 0.00 0.02 0.00 0.00 55.97 55.95 3f5x s LYS 237 Cb -0.24 -2.14 1.77 0.00 -0.52 0.00 0.00 37.83 36.70 3f5x s LYS 237 CO 0.31 0.25 2.18 -1.35 -0.92 0.00 0.00 175.35 175.81 3f5x h PRO 238 N 6.46 0.00 0.00 -1.68 0.11 -1.97 -2.42 132.00 132.51 3f5x h PRO 238 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3f5x h PRO 238 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3f5x h PRO 238 CO 0.47 0.05 0.00 0.77 -0.21 0.00 0.00 178.00 179.08 3f5x h SER 239 N 0.00 0.00 -1.71 -2.05 0.02 -2.03 -3.45 113.55 104.33 3f5x h SER 239 Ca -0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 3f5x h SER 239 Cb 0.20 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.77 3f5x h SER 239 CO 0.01 0.00 0.79 0.49 -1.14 0.00 0.00 176.83 176.98 3f5x n PHE 240 N -2.78 1.96 -1.44 3.45 3.72 -0.91 -4.91 117.46 116.54 3f5x n PHE 240 Ca -0.02 0.46 -0.36 0.00 -0.05 0.00 0.00 57.45 57.48 3f5x n PHE 240 Cb 0.07 -2.46 0.07 0.00 -0.94 0.00 0.00 39.48 36.22 3f5x n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3f5x n PRO 241 N 4.58 0.60 -3.60 -1.08 -0.02 -1.26 -4.96 135.00 129.26 3f5x n PRO 241 Ca 0.23 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 3f5x n PRO 241 Cb 0.18 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 3f5x n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3f5x s LYS 242 N -3.03 2.40 0.32 -0.52 1.02 -1.26 -4.81 119.74 113.87 3f5x s LYS 242 Ca 0.73 -1.73 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 3f5x s LYS 242 Cb -0.37 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 3f5x s LYS 242 CO 0.50 -1.14 0.55 -1.58 -0.92 0.00 0.00 175.35 172.76 3f5x s TRP 243 N 1.33 3.50 0.07 3.18 0.51 -1.26 -4.92 118.94 121.34 3f5x s TRP 243 Ca 0.06 0.47 -0.11 0.00 -2.12 0.00 0.00 56.10 54.40 3f5x s TRP 243 Cb -0.25 -1.98 -0.06 0.00 -0.81 0.00 0.00 33.47 30.37 3f5x s TRP 243 CO -0.01 0.14 0.41 0.00 -0.51 0.00 0.00 176.95 176.98 3f5x s ALA 244 N -2.23 3.71 0.09 0.98 0.00 -1.26 -1.95 121.76 121.10 3f5x s ALA 244 Ca 0.41 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 3f5x s ALA 244 Cb -0.10 -2.31 -0.08 0.00 0.00 0.00 0.00 23.12 20.63 3f5x s ALA 244 CO 0.34 0.54 1.47 0.50 0.00 0.00 0.00 175.76 178.62 3f5x s ARG 245 N -1.76 4.27 0.28 0.00 3.52 -1.26 -4.12 118.95 119.88 3f5x s ARG 245 Ca 0.32 2.14 0.04 0.00 -0.13 0.00 0.00 55.73 58.10 3f5x s ARG 245 Cb -0.14 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3f5x s ARG 245 CO 0.17 -0.56 0.42 1.14 -0.81 0.00 0.00 175.30 175.66 3f5x s GLN 246 N 1.74 3.37 0.26 5.12 -2.07 -1.13 -4.92 119.66 122.03 3f5x s GLN 246 Ca 0.67 -0.73 -0.31 0.00 -1.82 0.00 0.00 55.36 53.17 3f5x s GLN 246 Cb -0.37 -2.83 -0.12 0.00 -1.09 0.00 0.00 33.01 28.60 3f5x s GLN 246 CO 0.30 0.30 1.66 -0.25 -1.32 0.00 0.00 175.29 175.97 3f5x n ASP 247 N -1.53 3.95 0.25 12.60 8.00 -1.26 -4.89 116.55 133.66 3f5x n ASP 247 Ca -0.06 1.11 0.12 0.00 0.71 0.00 0.00 54.79 56.66 3f5x n ASP 247 Cb 0.57 -1.59 0.67 0.00 -0.02 0.00 0.00 41.12 40.75 3f5x n ASP 247 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3f5x h PHE 248 N 5.63 0.00 0.00 1.24 -1.00 -1.96 -2.13 116.94 118.71 3f5x h PHE 248 Ca -0.45 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.32 3f5x h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 3f5x h PHE 248 CO 0.61 0.15 -0.01 0.66 -1.61 0.00 0.00 178.31 178.10 3f5x h SER 249 N 0.00 0.00 0.04 2.17 4.64 -1.90 0.14 113.55 118.64 3f5x h SER 249 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3f5x h SER 249 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3f5x h SER 249 CO 0.02 0.01 -2.12 0.29 -0.87 0.00 0.00 176.83 174.16 3f5x n LYS 250 N -3.59 0.67 -0.01 4.77 5.02 -0.83 -3.35 118.16 120.83 3f5x n LYS 250 Ca -0.03 -0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 55.99 3f5x n LYS 250 Cb 0.09 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 3f5x n LYS 250 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3f5x h VAL 251 N 0.00 1.41 -2.29 -0.18 2.07 -1.06 -3.39 116.25 112.80 3f5x h VAL 251 Ca -0.22 -1.93 -0.59 0.00 0.82 0.00 0.00 66.70 64.78 3f5x h VAL 251 Cb 1.51 2.41 -0.40 0.00 -1.52 0.00 0.00 31.29 33.29 3f5x h VAL 251 CO 0.01 0.57 -0.84 1.33 0.02 0.00 0.00 177.57 178.66 3f5x n VAL 252 N -4.26 0.56 -0.22 2.57 0.24 0.46 -4.98 118.33 112.71 3f5x n VAL 252 Ca -0.09 -4.43 0.02 0.00 -2.04 0.00 0.00 64.34 57.80 3f5x n VAL 252 Cb 0.62 -1.99 0.11 0.00 -1.47 0.00 0.00 33.84 31.12 3f5x n VAL 252 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3f5x h PRO 253 N 4.55 0.12 0.00 7.34 0.11 -1.73 -2.53 132.00 139.87 3f5x h PRO 253 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3f5x h PRO 253 Cb 0.80 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3f5x h PRO 253 CO 0.61 0.08 0.00 -1.35 -0.21 0.00 0.00 178.00 177.13 3f5x h PRO 254 N 0.13 0.00 -6.88 1.05 0.11 -1.90 -3.44 132.00 121.07 3f5x h PRO 254 Ca 0.34 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.96 3f5x h PRO 254 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 3f5x h PRO 254 CO -0.55 0.00 0.42 -0.51 -0.21 0.00 0.00 178.00 177.15 3f5x s LEU 255 N -4.73 4.36 0.00 2.35 1.02 -0.95 -5.06 118.68 115.67 3f5x s LEU 255 Ca 0.02 2.09 -0.07 0.00 0.02 0.00 0.00 54.13 56.19 3f5x s LEU 255 Cb 0.09 -3.91 0.11 0.00 0.02 0.00 0.00 46.19 42.50 3f5x s LEU 255 CO 0.38 -0.25 0.65 -0.90 0.02 0.00 0.00 176.35 176.25 3f5x n ASP 256 N 0.61 0.16 -0.15 2.29 5.75 -1.26 -4.80 116.55 119.15 3f5x n ASP 256 Ca 0.02 -1.30 -0.07 0.00 -0.01 0.00 0.00 54.79 53.42 3f5x n ASP 256 Cb 0.48 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.09 3f5x n ASP 256 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3f5x h GLU 257 N 0.00 0.57 -0.34 0.11 4.39 -2.00 -2.23 114.58 115.08 3f5x h GLU 257 Ca -0.21 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 3f5x h GLU 257 Cb 0.61 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3f5x h GLU 257 CO 0.16 0.38 0.08 -0.44 -1.16 0.00 0.00 179.01 178.03 3f5x h ASP 258 N 0.59 0.52 -0.51 1.42 3.32 -1.97 -2.50 116.42 117.27 3f5x h ASP 258 Ca 0.17 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3f5x h ASP 258 Cb -0.04 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 3f5x h ASP 258 CO -0.06 0.61 0.23 1.23 -1.72 0.00 0.00 179.24 179.54 3f5x h GLY 259 N 0.40 0.71 1.08 2.75 0.00 -1.87 -1.63 103.07 104.50 3f5x h GLY 259 Ca 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3f5x h GLY 259 CO 0.00 0.07 0.29 3.21 0.00 0.00 0.00 176.54 180.11 3f5x h ARG 260 N 0.45 1.17 -0.31 4.80 3.08 -1.35 -1.72 114.38 120.50 3f5x h ARG 260 Ca 0.24 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3f5x h ARG 260 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3f5x h ARG 260 CO -0.20 0.95 0.18 1.03 -1.07 0.00 0.00 179.97 180.87 3f5x h SER 261 N 1.13 0.37 0.01 7.04 0.87 -1.00 -1.01 113.55 120.96 3f5x h SER 261 Ca 0.26 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3f5x h SER 261 Cb 0.24 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3f5x h SER 261 CO -0.02 0.33 -0.00 0.25 -0.53 0.00 0.00 176.83 176.86 3f5x h LEU 262 N 0.39 -0.01 -0.73 2.23 5.85 -1.14 -2.26 115.31 119.64 3f5x h LEU 262 Ca 0.11 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3f5x h LEU 262 Cb 0.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3f5x h LEU 262 CO -0.02 0.12 0.47 0.25 -0.34 0.00 0.00 178.44 178.92 3f5x h LEU 263 N -0.14 0.78 -0.90 2.25 5.85 -1.21 -0.39 115.31 121.55 3f5x h LEU 263 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3f5x h LEU 263 Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3f5x h LEU 263 CO 0.00 0.55 0.41 0.77 -0.34 0.00 0.00 178.44 179.83 3f5x h SER 264 N 0.92 1.08 -0.03 1.25 4.64 -1.12 -0.13 113.55 120.17 3f5x h SER 264 Ca 0.29 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3f5x h SER 264 Cb -0.02 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 3f5x h SER 264 CO -0.10 0.91 -0.22 1.56 -0.87 0.00 0.00 176.83 178.11 3f5x h GLN 265 N 1.19 0.42 0.00 4.77 4.20 -0.75 -1.92 115.11 123.01 3f5x h GLN 265 Ca 0.29 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 3f5x h GLN 265 Cb 0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3f5x h GLN 265 CO -0.04 0.61 -0.32 0.52 -0.67 0.00 0.00 178.83 178.93 3f5x h MET 266 N 0.38 0.00 -0.42 1.46 2.86 -0.43 -2.30 114.93 116.48 3f5x h MET 266 Ca 0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3f5x h MET 266 Cb 0.59 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3f5x h MET 266 CO 0.04 0.32 0.04 1.28 1.06 0.00 0.00 176.91 179.66 3f5x n LEU 267 N -3.36 4.66 -4.75 1.22 4.77 -0.12 -4.00 117.00 115.41 3f5x n LEU 267 Ca 0.01 -3.13 -0.41 0.00 -0.03 0.00 0.00 56.01 52.44 3f5x n LEU 267 Cb 0.54 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3f5x n LEU 267 CO 0.36 0.76 1.19 -2.28 -1.33 0.00 0.00 177.39 176.09 3f5x s HIS 268 N -2.90 2.80 0.04 -1.77 2.46 -0.75 -4.94 115.29 110.23 3f5x s HIS 268 Ca 0.47 0.91 -0.24 0.00 0.47 0.00 0.00 55.06 56.67 3f5x s HIS 268 Cb 0.38 -4.00 -0.16 0.00 -0.13 0.00 0.00 32.58 28.67 3f5x s HIS 268 CO 0.10 -3.25 1.52 1.88 -2.47 0.00 0.00 174.74 172.52 3f5x h TYR 269 N 4.58 0.06 -3.00 3.88 0.05 -1.90 -3.42 116.97 117.22 3f5x h TYR 269 Ca -0.47 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.73 3f5x h TYR 269 Cb 1.22 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 3f5x h TYR 269 CO 0.58 0.28 1.05 0.34 -1.05 0.00 0.00 178.16 179.36 3f5x s ASP 270 N -5.49 6.49 0.38 3.88 -1.08 -1.26 -4.82 116.67 114.76 3f5x s ASP 270 Ca -0.14 1.31 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 3f5x s ASP 270 Cb 0.04 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.86 3f5x s ASP 270 CO 0.68 -1.22 1.88 1.55 0.52 0.00 0.00 175.17 178.58 3f5x h PRO 271 N 10.16 0.59 -0.09 4.34 0.13 -1.96 -0.67 132.00 144.50 3f5x h PRO 271 Ca -0.29 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.83 3f5x h PRO 271 Cb 1.12 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3f5x h PRO 271 CO 1.03 0.39 0.07 -0.91 -0.23 0.00 0.00 178.00 178.35 3f5x h ASN 272 N 0.61 0.00 0.00 1.44 2.35 -1.96 -2.98 115.58 115.04 3f5x h ASN 272 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 3f5x h ASN 272 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3f5x h ASN 272 CO -0.18 0.00 -0.93 0.29 -1.65 0.00 0.00 177.43 174.96 3f5x n LYS 273 N -4.35 1.49 -1.74 0.81 4.76 -0.36 -4.96 118.16 113.81 3f5x n LYS 273 Ca -0.01 -0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3f5x n LYS 273 Cb 0.18 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 3f5x n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3f5x n ARG 274 N -1.50 2.58 -1.86 1.97 0.63 -0.62 -4.91 116.66 112.94 3f5x n ARG 274 Ca 0.02 0.91 -0.41 0.00 -0.92 0.00 0.00 57.85 57.45 3f5x n ARG 274 Cb 0.28 -2.65 -0.01 0.00 0.45 0.00 0.00 32.46 30.54 3f5x n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3f5x s ILE 275 N -0.41 2.18 0.59 5.15 2.07 -0.87 -5.00 121.20 124.91 3f5x s ILE 275 Ca 0.61 0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.91 3f5x s ILE 275 Cb -0.51 -3.12 -0.05 0.00 0.13 0.00 0.00 42.46 38.91 3f5x s ILE 275 CO 0.54 0.04 1.00 -0.94 -1.91 0.00 0.00 174.94 173.68 3f5x s SER 276 N -0.16 6.31 0.22 4.50 1.04 -1.26 -4.87 113.70 119.48 3f5x s SER 276 Ca 0.53 1.42 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 3f5x s SER 276 Cb -0.45 -2.46 0.29 0.00 0.10 0.00 0.00 66.02 63.49 3f5x s SER 276 CO 0.60 -0.79 1.80 0.00 0.98 0.00 0.00 173.24 175.83 3f5x h ALA 277 N -0.03 0.95 0.04 5.32 0.00 -1.95 0.17 119.26 123.77 3f5x h ALA 277 Ca -0.45 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3f5x h ALA 277 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3f5x h ALA 277 CO 0.62 0.02 -0.02 -0.22 0.00 0.00 0.00 179.25 179.65 3f5x h LYS 278 N 0.67 -0.05 -0.54 0.00 3.64 -1.94 -1.96 116.57 116.40 3f5x h LYS 278 Ca 0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 3f5x h LYS 278 Cb 0.26 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3f5x h LYS 278 CO -0.22 0.00 0.18 0.00 -2.27 0.00 0.00 179.45 177.15 3f5x h ALA 279 N 0.87 1.31 -0.38 5.00 0.00 -1.88 -2.51 119.26 121.66 3f5x h ALA 279 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3f5x h ALA 279 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3f5x h ALA 279 CO 0.01 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.83 3f5x h ALA 280 N 1.42 1.40 0.00 0.00 0.00 -0.72 -2.56 119.26 118.80 3f5x h ALA 280 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3f5x h ALA 280 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3f5x h ALA 280 CO -0.01 0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 179.38 3f5x h LEU 281 N 0.56 0.00 -1.01 0.00 3.38 -0.90 -2.41 115.31 114.94 3f5x h LEU 281 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3f5x h LEU 281 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3f5x h LEU 281 CO 0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3f5x n ALA 282 N -2.35 2.48 -1.88 1.53 0.00 -0.97 -4.84 120.51 114.47 3f5x n ALA 282 Ca -0.02 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 3f5x n ALA 282 Cb 0.32 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 3f5x n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3f5x s HIS 283 N -1.67 3.86 0.56 0.00 5.04 -0.91 -4.93 115.29 117.25 3f5x s HIS 283 Ca 0.22 1.84 0.26 0.00 -1.54 0.00 0.00 55.06 55.84 3f5x s HIS 283 Cb 0.12 -3.07 1.43 0.00 0.04 0.00 0.00 32.58 31.10 3f5x s HIS 283 CO 0.16 0.17 1.79 -1.00 -2.34 0.00 0.00 174.74 173.52 3f5x h PRO 284 N 4.47 0.00 -0.86 2.88 0.13 -1.91 -0.67 132.00 136.04 3f5x h PRO 284 Ca -0.45 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.79 3f5x h PRO 284 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3f5x h PRO 284 CO 0.69 0.00 0.55 0.35 -0.23 0.00 0.00 178.00 179.36 3f5x h PHE 285 N 0.00 0.84 -0.23 1.56 3.57 -1.91 -2.45 116.94 118.32 3f5x h PHE 285 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3f5x h PHE 285 Cb 0.70 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3f5x h PHE 285 CO 0.00 0.37 0.00 1.19 -2.23 0.00 0.00 178.31 177.64 3f5x n PHE 286 N -4.53 0.29 0.28 0.41 3.72 -0.26 -4.43 117.46 112.94 3f5x n PHE 286 Ca 0.15 -0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 3f5x n PHE 286 Cb 0.37 0.00 0.83 0.00 -0.94 0.00 0.00 39.48 39.74 3f5x n PHE 286 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3f5x h GLN 287 N 2.69 0.00 -0.45 -1.08 4.20 -1.56 -2.48 115.11 116.43 3f5x h GLN 287 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3f5x h GLN 287 Cb 0.59 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.16 3f5x h GLN 287 CO 0.00 0.04 -0.38 -0.40 -0.67 0.00 0.00 178.83 177.42 3f5x n ASP 288 N -3.88 3.56 -4.75 1.46 5.75 -1.26 -5.07 116.55 112.36 3f5x n ASP 288 Ca -0.03 -3.81 -0.41 0.00 -0.01 0.00 0.00 54.79 50.53 3f5x n ASP 288 Cb 0.13 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 3f5x n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f5x s VAL 289 N -3.86 2.87 0.43 2.12 0.11 -0.94 -5.03 120.40 116.10 3f5x s VAL 289 Ca 0.47 0.77 0.03 0.00 -2.93 0.00 0.00 61.98 60.32 3f5x s VAL 289 Cb 0.41 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 3f5x s VAL 289 CO -0.01 0.14 0.06 0.42 -3.33 0.00 0.00 175.10 172.39 3f5x s THR 290 N -0.33 1.04 -0.63 5.04 -4.23 -1.26 -5.10 115.64 110.17 3f5x s THR 290 Ca 0.55 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 3f5x s THR 290 Cb -0.39 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.21 3f5x s THR 290 CO 0.44 0.00 0.58 1.17 -0.54 0.00 0.00 174.62 176.27 3f5x n LYS 291 N -0.99 1.84 -1.75 3.99 4.81 -1.26 -4.38 118.16 120.43 3f5x n LYS 291 Ca -0.09 -4.33 -0.35 0.00 -0.87 0.00 0.00 58.31 52.67 3f5x n LYS 291 Cb 0.66 -2.13 0.06 0.00 0.02 0.00 0.00 35.03 33.64 3f5x n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3f5x s PRO 292 N -1.67 2.63 -0.12 1.64 0.02 -1.26 -4.94 135.00 131.30 3f5x s PRO 292 Ca 0.32 1.71 -0.13 0.00 0.02 0.00 0.00 61.00 62.92 3f5x s PRO 292 Cb 0.05 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 3f5x s PRO 292 CO -0.11 -1.44 0.31 0.14 -0.33 0.00 0.00 177.00 175.56 3f5x s VAL 293 N -1.89 5.26 0.80 3.83 -7.23 -1.26 -4.46 120.40 115.46 3f5x s VAL 293 Ca 0.74 0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 61.39 3f5x s VAL 293 Cb -0.28 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.12 3f5x s VAL 293 CO 0.39 0.46 1.16 -2.16 -0.31 0.00 0.00 175.10 174.64 3f5x s PRO 294 N -0.08 1.89 -0.54 4.82 0.04 -1.26 -4.98 135.00 134.88 3f5x s PRO 294 Ca 0.18 -0.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 3f5x s PRO 294 Cb -0.14 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.56 3f5x s PRO 294 CO 0.06 -1.60 0.39 -1.01 0.04 0.00 0.00 177.00 174.88 3f5x s HIS 295 N -3.54 3.49 0.28 0.56 3.76 -1.26 -4.94 115.29 113.64 3f5x s HIS 295 Ca 0.63 -2.24 -0.23 0.00 -0.15 0.00 0.00 55.06 53.06 3f5x s HIS 295 Cb -0.10 -3.39 -0.09 0.00 1.11 0.00 0.00 32.58 30.10 3f5x s HIS 295 CO 0.48 -0.95 0.85 -0.51 -0.85 0.00 0.00 174.74 173.77 3f5x s LEU 296 N 0.79 4.33 -1.14 0.89 1.43 -1.26 -4.99 118.68 118.72 3f5x s LEU 296 Ca 0.11 1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3f5x s LEU 296 Cb -0.22 -3.86 0.26 0.00 0.03 0.00 0.00 46.19 42.40 3f5x s LEU 296 CO -0.03 -0.04 1.38 0.54 0.23 0.00 0.00 176.35 178.44 3f5x n ARG 297 N 0.59 3.83 0.00 1.70 3.00 -1.26 -5.15 116.66 119.36 3f5x n ARG 297 Ca 0.00 -4.28 0.12 0.00 -0.01 0.00 0.00 57.85 53.69 3f5x n ARG 297 Cb 0.51 -2.66 0.20 0.00 0.00 0.00 0.00 32.46 30.50 3f5x n ARG 297 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91