#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1x n HIS 0 N 0.00 3.43 -3.85 -1.40 -0.00 -1.26 -4.38 115.22 107.77 1o1x n HIS 0 Ca 0.00 -2.91 -0.13 0.00 -0.00 0.00 0.00 57.72 54.68 1o1x n HIS 0 Cb 0.00 -2.28 -0.14 0.00 -0.00 0.00 0.00 29.99 27.56 1o1x n HIS 0 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1o1x s VAL 1 N 1.98 -0.01 -0.18 1.59 0.11 -1.26 -5.12 120.40 117.50 1o1x s VAL 1 Ca 0.44 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.49 1o1x s VAL 1 Cb 0.11 -0.03 -0.02 0.00 -1.53 0.00 0.00 36.38 34.90 1o1x s VAL 1 CO -0.03 0.02 -0.02 -0.75 -3.33 0.00 0.00 175.10 170.98 1o1x s LYS 2 N 0.21 3.62 -0.12 1.54 2.20 -1.26 -3.38 119.74 122.55 1o1x s LYS 2 Ca -0.02 -0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1o1x s LYS 2 Cb -0.02 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1o1x s LYS 2 CO -0.01 0.09 -0.10 0.42 -0.36 0.00 0.00 175.35 175.40 1o1x s ILE 3 N 0.77 3.36 -0.23 5.43 -1.09 -0.27 -0.96 121.20 128.21 1o1x s ILE 3 Ca -0.01 -0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 1o1x s ILE 3 Cb -0.14 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1o1x s ILE 3 CO 0.02 0.54 0.12 0.00 -1.23 0.00 0.00 174.94 174.39 1o1x s ALA 4 N 0.02 3.44 0.08 9.38 0.00 -0.64 -0.65 121.76 133.40 1o1x s ALA 4 Ca -0.03 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1o1x s ALA 4 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1o1x s ALA 4 CO 0.04 -0.23 -0.21 -1.50 0.00 0.00 0.00 175.76 173.85 1o1x s ILE 5 N 1.14 1.73 0.07 0.00 2.07 -0.24 -1.16 121.20 124.82 1o1x s ILE 5 Ca 0.06 -1.45 -0.26 0.00 -1.41 0.00 0.00 60.65 57.59 1o1x s ILE 5 Cb -0.14 -1.55 0.07 0.00 0.13 0.00 0.00 42.46 40.97 1o1x s ILE 5 CO 0.04 0.04 0.62 0.00 -1.91 0.00 0.00 174.94 173.73 1o1x s ALA 6 N -1.04 -1.63 0.16 1.50 0.00 -0.70 -0.97 121.76 119.08 1o1x s ALA 6 Ca 0.07 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1o1x s ALA 6 Cb -0.10 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1o1x s ALA 6 CO 0.04 -0.60 0.34 -1.54 0.00 0.00 0.00 175.76 174.00 1o1x s SER 7 N -2.12 -0.05 0.77 0.00 1.04 -0.17 -1.67 113.70 111.50 1o1x s SER 7 Ca -0.04 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 1o1x s SER 7 Cb -0.01 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1o1x s SER 7 CO -0.04 -0.92 0.55 -0.90 0.98 0.00 0.00 173.24 172.91 1o1x n ASP 8 N -0.23 0.34 -0.05 7.02 5.75 -1.03 -0.87 116.55 127.47 1o1x n ASP 8 Ca -0.09 -1.38 -0.01 0.00 -0.01 0.00 0.00 54.79 53.29 1o1x n ASP 8 Cb 0.63 -0.39 0.26 0.00 -1.03 0.00 0.00 41.12 40.58 1o1x n ASP 8 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1o1x h HIS 9 N -0.92 0.66 -0.11 2.11 2.07 -1.80 -2.76 115.15 114.40 1o1x h HIS 9 Ca -0.18 -0.06 -0.04 0.00 -2.85 0.00 0.00 60.37 57.23 1o1x h HIS 9 Cb 0.57 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 1o1x h HIS 9 CO 0.00 0.61 -0.14 0.00 -3.07 0.00 0.00 177.93 175.33 1o1x h ALA 10 N 1.44 1.57 -0.32 6.11 0.00 -1.92 -2.94 119.26 123.20 1o1x h ALA 10 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1o1x h ALA 10 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1o1x h ALA 10 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1o1x n ALA 11 N -2.49 2.79 -0.21 0.00 0.00 -1.19 -4.58 120.51 114.82 1o1x n ALA 11 Ca -0.01 -1.90 -0.01 0.00 0.00 0.00 0.00 53.44 51.51 1o1x n ALA 11 Cb 0.26 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 19.14 1o1x n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1o1x h PHE 12 N 2.08 0.58 -0.39 0.00 3.57 -1.30 -0.86 116.94 120.63 1o1x h PHE 12 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1o1x h PHE 12 Cb 1.25 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1o1x h PHE 12 CO 0.46 0.25 0.18 1.49 -2.23 0.00 0.00 178.31 178.46 1o1x h GLU 13 N 0.58 0.57 -0.29 1.11 4.81 -1.83 -1.28 114.58 118.26 1o1x h GLU 13 Ca 0.29 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 1o1x h GLU 13 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1o1x h GLU 13 CO -0.21 0.51 -0.42 1.25 -0.73 0.00 0.00 179.01 179.41 1o1x h LEU 14 N 0.50 0.76 -0.41 1.64 5.85 -1.79 -2.24 115.31 119.61 1o1x h LEU 14 Ca 0.13 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1o1x h LEU 14 Cb 0.14 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1o1x h LEU 14 CO -0.02 1.08 0.18 0.50 -0.34 0.00 0.00 178.44 179.85 1o1x h LYS 15 N 0.58 0.37 -0.57 1.25 3.11 -0.83 -0.02 116.57 120.45 1o1x h LYS 15 Ca 0.04 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1o1x h LYS 15 Cb 0.97 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1o1x h LYS 15 CO 0.09 0.24 0.37 0.93 -2.81 0.00 0.00 179.45 178.27 1o1x h GLU 16 N 0.38 0.72 -0.64 1.90 4.39 -1.09 -0.36 114.58 119.87 1o1x h GLU 16 Ca 0.18 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1o1x h GLU 16 Cb 0.12 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1o1x h GLU 16 CO -0.15 0.47 0.18 0.87 -1.16 0.00 0.00 179.01 179.23 1o1x h LYS 17 N 0.74 1.00 -0.31 2.33 1.57 -0.87 -0.82 116.57 120.22 1o1x h LYS 17 Ca 0.22 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1o1x h LYS 17 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1o1x h LYS 17 CO -0.07 0.89 -0.01 0.28 -0.57 0.00 0.00 179.45 179.97 1o1x h VAL 18 N 0.93 1.26 -0.23 0.50 2.07 -0.84 -0.97 116.25 118.97 1o1x h VAL 18 Ca 0.20 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1o1x h VAL 18 Cb 0.32 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1o1x h VAL 18 CO -0.00 0.31 -0.06 0.50 0.02 0.00 0.00 177.57 178.34 1o1x h LYS 19 N 0.34 -0.00 -0.19 1.57 3.64 -0.97 -1.43 116.57 119.53 1o1x h LYS 19 Ca 0.09 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1o1x h LYS 19 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1o1x h LYS 19 CO 0.02 -0.00 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.08 1o1x h ASN 20 N -0.00 0.32 -0.26 4.20 2.35 -0.99 -0.05 115.58 121.15 1o1x h ASN 20 Ca 0.11 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1o1x h ASN 20 Cb 0.17 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1o1x h ASN 20 CO -0.24 0.54 0.13 0.22 -1.65 0.00 0.00 177.43 176.44 1o1x h TYR 21 N 0.30 0.36 -0.20 1.19 3.20 -0.88 -1.23 116.97 119.71 1o1x h TYR 21 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1o1x h TYR 21 Cb 0.54 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1o1x h TYR 21 CO 0.01 0.33 0.07 -0.07 -1.64 0.00 0.00 178.16 176.85 1o1x h LEU 22 N 0.29 0.29 -1.11 2.82 3.38 -0.84 -2.84 115.31 117.30 1o1x h LEU 22 Ca 0.09 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1o1x h LEU 22 Cb 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1o1x h LEU 22 CO -0.01 0.41 0.61 -0.07 0.09 0.00 0.00 178.44 179.46 1o1x h LEU 23 N 0.16 0.93 -2.14 1.67 3.38 -0.92 -1.23 115.31 117.16 1o1x h LEU 23 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1o1x h LEU 23 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1o1x h LEU 23 CO -0.00 0.59 0.00 1.23 0.09 0.00 0.00 178.44 180.35 1o1x h GLY 24 N 1.06 0.00 -1.35 0.83 0.00 -0.99 -1.23 103.07 101.39 1o1x h GLY 24 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1o1x h GLY 24 CO -0.16 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.66 1o1x n LYS 25 N -3.02 2.04 -1.07 4.80 5.02 -0.52 -4.93 118.16 120.48 1o1x n LYS 25 Ca -0.01 -1.54 -0.02 0.00 -2.02 0.00 0.00 58.31 54.72 1o1x n LYS 25 Cb 0.18 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1o1x n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o1x n GLY 26 N 1.28 0.57 3.73 0.72 0.00 -0.46 -4.84 105.19 106.18 1o1x n GLY 26 Ca 0.17 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1o1x n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1x s ILE 27 N -2.06 4.67 -0.07 -0.61 1.01 -0.87 -4.86 121.20 118.42 1o1x s ILE 27 Ca 0.00 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 1o1x s ILE 27 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1o1x s ILE 27 CO 0.00 0.28 1.42 -0.70 0.00 0.00 0.00 174.94 175.94 1o1x s GLU 28 N 0.31 4.24 -0.09 2.79 2.12 -1.22 -4.17 118.70 122.67 1o1x s GLU 28 Ca 0.46 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.74 1o1x s GLU 28 Cb -0.22 -3.75 0.01 0.00 0.26 0.00 0.00 34.13 30.43 1o1x s GLU 28 CO 0.28 -0.69 -0.16 0.08 -0.54 0.00 0.00 175.26 174.23 1o1x s VAL 29 N 3.21 1.48 -0.31 3.70 1.01 -1.26 -1.11 120.40 127.12 1o1x s VAL 29 Ca 0.63 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1o1x s VAL 29 Cb -0.29 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1o1x s VAL 29 CO 0.23 0.43 0.18 -1.61 0.00 0.00 0.00 175.10 174.34 1o1x s GLU 30 N 0.80 3.54 -0.43 2.72 2.02 0.18 -4.98 118.70 122.55 1o1x s GLU 30 Ca -0.11 -0.59 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 1o1x s GLU 30 Cb -0.16 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.45 1o1x s GLU 30 CO 0.02 -0.36 0.42 0.34 0.02 0.00 0.00 175.26 175.70 1o1x s ASP 31 N 1.68 6.18 0.00 -0.19 2.15 -1.26 -1.08 116.67 124.15 1o1x s ASP 31 Ca 0.06 -0.76 0.18 0.00 0.43 0.00 0.00 52.55 52.46 1o1x s ASP 31 Cb -0.17 -2.21 0.89 0.00 -0.30 0.00 0.00 42.92 41.13 1o1x s ASP 31 CO 0.08 -0.57 1.60 1.41 -0.17 0.00 0.00 175.17 177.52 1o1x n HIS 32 N 5.52 0.09 -1.03 -5.34 8.25 -0.15 -4.99 115.22 117.58 1o1x n HIS 32 Ca -0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1o1x n HIS 32 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1o1x n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1o1x n GLY 33 N 0.91 -2.42 3.68 -1.41 0.00 -1.26 -4.95 105.19 99.75 1o1x n GLY 33 Ca 0.14 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1o1x n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1o1x s THR 34 N -0.33 2.30 -0.75 2.61 -1.32 -0.05 -1.00 115.64 117.10 1o1x s THR 34 Ca 0.00 0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 1o1x s THR 34 Cb 0.00 -2.56 0.17 0.00 -1.51 0.00 0.00 72.50 68.60 1o1x s THR 34 CO 0.00 -0.13 1.04 -1.22 -2.21 0.00 0.00 174.62 172.11 1o1x n TYR 35 N -4.10 0.22 -3.82 9.09 4.01 -1.26 -4.85 117.16 116.45 1o1x n TYR 35 Ca 0.06 -0.34 -0.10 0.00 -0.16 0.00 0.00 57.90 57.36 1o1x n TYR 35 Cb 0.56 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1o1x n TYR 35 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1o1x n SER 36 N 0.28 -1.41 -0.73 7.72 3.41 -1.26 -5.04 113.62 116.58 1o1x n SER 36 Ca 0.07 -2.42 0.09 0.00 -0.26 0.00 0.00 58.87 56.35 1o1x n SER 36 Cb 0.32 2.48 0.27 0.00 -0.26 0.00 0.00 64.21 67.02 1o1x n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1o1x n GLU 37 N -0.45 1.94 -2.00 4.33 1.02 -1.26 -4.56 120.64 119.66 1o1x n GLU 37 Ca -0.03 -1.43 -0.40 0.00 -0.02 0.00 0.00 57.16 55.28 1o1x n GLU 37 Cb 0.47 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1o1x n GLU 37 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1o1x s GLU 38 N -1.59 3.94 0.17 3.49 0.41 -1.26 -4.84 118.70 119.02 1o1x s GLU 38 Ca 0.31 2.22 -0.32 0.00 -0.41 0.00 0.00 54.97 56.78 1o1x s GLU 38 Cb 0.17 -2.76 -0.11 0.00 -1.78 0.00 0.00 34.13 29.65 1o1x s GLU 38 CO 0.24 -0.54 1.70 0.45 -0.49 0.00 0.00 175.26 176.61 1o1x s SER 39 N -0.66 6.46 0.30 -0.19 0.15 -1.26 -4.54 113.70 113.96 1o1x s SER 39 Ca 0.57 2.75 0.03 0.00 0.70 0.00 0.00 55.95 60.01 1o1x s SER 39 Cb -0.39 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.29 1o1x s SER 39 CO 0.51 -0.93 0.18 0.68 1.20 0.00 0.00 173.24 174.88 1o1x s VAL 40 N 1.57 0.22 -0.25 4.45 -7.23 -1.26 -5.01 120.40 112.89 1o1x s VAL 40 Ca 0.75 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1o1x s VAL 40 Cb -0.47 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 1o1x s VAL 40 CO 0.33 0.00 0.06 -1.81 -0.31 0.00 0.00 175.10 173.37 1o1x s ASP 41 N -3.35 5.06 0.30 4.85 1.01 -1.26 -4.69 116.67 118.59 1o1x s ASP 41 Ca 0.37 -0.24 0.05 0.00 0.71 0.00 0.00 52.55 53.44 1o1x s ASP 41 Cb 0.05 -1.91 0.73 0.00 1.01 0.00 0.00 42.92 42.80 1o1x s ASP 41 CO 0.19 -0.04 1.75 0.10 0.21 0.00 0.00 175.17 177.38 1o1x h TYR 42 N 8.23 0.94 -0.02 4.23 -0.00 -1.98 -2.02 116.97 126.35 1o1x h TYR 42 Ca -0.38 0.04 0.01 0.00 0.00 0.00 0.00 58.73 58.39 1o1x h TYR 42 Cb 1.17 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 37.63 1o1x h TYR 42 CO 0.66 0.14 0.01 -1.35 -0.00 0.00 0.00 178.16 177.63 1o1x h PRO 43 N 0.64 0.00 -0.59 0.10 0.11 -1.95 -1.31 132.00 128.99 1o1x h PRO 43 Ca 0.57 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.69 1o1x h PRO 43 Cb 0.95 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1o1x h PRO 43 CO -0.42 0.00 0.39 -0.44 -0.21 0.00 0.00 178.00 177.32 1o1x h ASP 44 N 0.00 0.66 0.46 -2.05 3.32 -1.80 -2.40 116.42 114.60 1o1x h ASP 44 Ca 0.01 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 1o1x h ASP 44 Cb 0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1o1x h ASP 44 CO -0.00 0.47 -1.53 1.88 -1.72 0.00 0.00 179.24 178.34 1o1x h TYR 45 N 0.77 0.43 -0.74 4.55 0.05 -1.39 -3.22 116.97 117.42 1o1x h TYR 45 Ca 0.22 -0.31 0.13 0.00 0.05 0.00 0.00 58.73 58.82 1o1x h TYR 45 Cb -0.04 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 37.59 1o1x h TYR 45 CO -0.00 1.37 0.32 0.00 -1.05 0.00 0.00 178.16 178.79 1o1x h ALA 46 N 0.51 1.03 -0.43 3.88 0.00 -1.26 -2.72 119.26 120.28 1o1x h ALA 46 Ca -0.24 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1o1x h ALA 46 Cb 2.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1o1x h ALA 46 CO 0.16 -0.16 -0.10 0.87 0.00 0.00 0.00 179.25 180.01 1o1x h LYS 47 N 0.49 0.77 -0.41 0.00 1.57 -1.47 -0.37 116.57 117.16 1o1x h LYS 47 Ca 0.39 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1o1x h LYS 47 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1o1x h LYS 47 CO -0.36 0.85 0.06 0.87 -0.57 0.00 0.00 179.45 180.30 1o1x h LYS 48 N 0.70 0.68 -0.30 3.15 1.57 -1.50 -0.14 116.57 120.73 1o1x h LYS 48 Ca 0.12 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1o1x h LYS 48 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1o1x h LYS 48 CO 0.04 0.73 -0.20 0.28 -0.57 0.00 0.00 179.45 179.72 1o1x h VAL 49 N 0.54 1.30 -0.39 0.50 2.07 -1.32 -2.76 116.25 116.18 1o1x h VAL 49 Ca 0.12 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1o1x h VAL 49 Cb 0.38 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1o1x h VAL 49 CO 0.01 0.43 0.03 0.58 0.02 0.00 0.00 177.57 178.63 1o1x h VAL 50 N 0.43 0.74 -0.88 2.57 2.07 -0.99 -0.84 116.25 119.34 1o1x h VAL 50 Ca 0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1o1x h VAL 50 Cb 0.75 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1o1x h VAL 50 CO 0.06 0.02 0.50 -0.61 0.02 0.00 0.00 177.57 177.56 1o1x h GLN 51 N 0.14 1.21 -0.60 1.57 4.15 -0.99 0.19 115.11 120.78 1o1x h GLN 51 Ca 0.19 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1o1x h GLN 51 Cb 0.26 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1o1x h GLN 51 CO -0.30 0.87 0.04 1.03 -1.93 0.00 0.00 178.83 178.54 1o1x h SER 52 N 1.22 0.98 -0.08 -0.69 0.87 -1.07 -0.88 113.55 113.89 1o1x h SER 52 Ca 0.31 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1o1x h SER 52 Cb -0.00 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1o1x h SER 52 CO -0.05 1.01 -0.08 0.40 -0.53 0.00 0.00 176.83 177.58 1o1x h ILE 53 N 0.93 1.36 0.00 2.23 1.08 -0.69 0.44 117.51 122.87 1o1x h ILE 53 Ca 0.18 -1.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1o1x h ILE 53 Cb 0.49 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1o1x h ILE 53 CO 0.02 0.34 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.52 1o1x h LEU 54 N -0.22 0.00 -0.48 1.44 3.38 -0.90 -1.89 115.31 116.63 1o1x h LEU 54 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1o1x h LEU 54 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1o1x h LEU 54 CO 0.02 0.23 0.00 -1.20 0.09 0.00 0.00 178.44 177.58 1o1x n SER 55 N -4.23 0.73 -3.19 -0.43 7.64 -0.34 -4.92 113.62 108.88 1o1x n SER 55 Ca -0.02 -1.48 -0.23 0.00 1.01 0.00 0.00 58.87 58.15 1o1x n SER 55 Cb 0.29 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 1o1x n SER 55 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1o1x n ASN 56 N -0.33 -5.13 0.03 6.43 5.15 -0.71 -4.89 115.26 115.81 1o1x n ASN 56 Ca 0.16 -0.34 0.12 0.00 -0.60 0.00 0.00 54.58 53.92 1o1x n ASN 56 Cb 0.19 -4.17 0.10 0.00 -0.53 0.00 0.00 39.78 35.37 1o1x n ASN 56 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1o1x n GLU 57 N -3.95 0.22 -4.01 1.20 -0.58 0.13 -4.91 120.64 108.74 1o1x n GLU 57 Ca -0.07 0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1o1x n GLU 57 Cb 0.59 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 1o1x n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1o1x s ALA 58 N -3.14 0.23 -0.08 0.62 0.00 -1.10 -4.98 121.76 113.30 1o1x s ALA 58 Ca 0.06 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1o1x s ALA 58 Cb 0.15 0.26 -0.29 0.00 0.00 0.00 0.00 23.12 23.24 1o1x s ALA 58 CO 0.76 -0.33 0.63 -0.44 0.00 0.00 0.00 175.76 176.39 1o1x h ASP 59 N 3.54 0.48 -4.63 0.00 3.32 -1.40 -3.42 116.42 114.31 1o1x h ASP 59 Ca -0.33 -0.89 -0.31 0.00 0.02 0.00 0.00 57.03 55.52 1o1x h ASP 59 Cb 1.17 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 1o1x h ASP 59 CO 0.56 1.66 -0.75 -0.36 -1.72 0.00 0.00 179.24 178.64 1o1x s PHE 60 N -2.51 0.77 0.15 4.55 0.08 -1.08 -4.95 117.98 114.98 1o1x s PHE 60 Ca -0.18 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.46 1o1x s PHE 60 Cb 0.04 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 1o1x s PHE 60 CO 0.81 -0.05 0.12 0.20 -0.10 0.00 0.00 175.22 176.20 1o1x s GLY 61 N -1.47 1.78 -0.10 4.36 0.00 -0.07 -1.62 107.32 110.20 1o1x s GLY 61 Ca -0.07 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.47 1o1x s GLY 61 CO 0.01 -1.18 -0.06 -0.42 0.00 0.00 0.00 173.10 171.44 1o1x s ILE 62 N -1.68 0.88 -0.02 0.90 1.01 -0.31 -0.84 121.20 121.15 1o1x s ILE 62 Ca 0.31 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1o1x s ILE 62 Cb -0.10 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1o1x s ILE 62 CO 0.23 0.34 -0.24 -0.76 0.00 0.00 0.00 174.94 174.51 1o1x s LEU 63 N 1.60 2.04 0.10 2.97 1.43 -0.23 -1.71 118.68 124.88 1o1x s LEU 63 Ca 0.02 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1o1x s LEU 63 Cb -0.13 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1o1x s LEU 63 CO -0.06 0.29 -0.05 -0.76 0.23 0.00 0.00 176.35 176.00 1o1x s LEU 64 N -0.53 2.43 0.08 1.79 1.02 -0.67 -1.25 118.68 121.55 1o1x s LEU 64 Ca 0.08 -1.03 -0.27 0.00 0.02 0.00 0.00 54.13 52.93 1o1x s LEU 64 Cb -0.09 -0.00 -0.17 0.00 0.02 0.00 0.00 46.19 45.95 1o1x s LEU 64 CO -0.01 -0.52 1.67 1.23 0.02 0.00 0.00 176.35 178.75 1o1x h GLY 66 N 2.97 -0.35 0.00 -3.19 0.00 -1.88 -2.74 103.07 97.88 1o1x h GLY 66 Ca -0.35 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1o1x h GLY 66 CO 0.64 -0.13 -0.59 -1.30 0.00 0.00 0.00 176.54 175.17 1o1x n THR 67 N -5.22 0.00 0.00 4.70 -2.24 -1.26 -1.44 114.28 108.82 1o1x n THR 67 Ca -0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1o1x n THR 67 Cb 0.16 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1o1x n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o1x n GLY 68 N 1.36 2.72 0.07 3.38 0.00 -1.26 -4.37 105.19 107.09 1o1x n GLY 68 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1o1x n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1o1x h LEU 69 N 0.00 0.09 -0.91 0.99 3.38 -1.94 -1.30 115.31 115.61 1o1x h LEU 69 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1o1x h LEU 69 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1o1x h LEU 69 CO 0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1o1x n GLY 70 N -0.23 0.00 1.09 0.83 0.00 -1.26 -1.48 105.19 104.15 1o1x n GLY 70 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1o1x n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1o1x n SER 72 N 0.31 0.00 0.01 1.61 2.88 -0.49 -0.84 113.62 117.09 1o1x n SER 72 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1o1x n SER 72 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1o1x n SER 72 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1o1x h ILE 73 N 0.00 1.12 -0.61 2.46 2.04 -1.52 -3.21 117.51 117.78 1o1x h ILE 73 Ca 0.00 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1o1x h ILE 73 Cb 0.00 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1o1x h ILE 73 CO 0.00 0.31 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1o1x h ALA 74 N -0.12 0.79 -0.09 1.87 0.00 -1.25 -2.98 119.26 117.48 1o1x h ALA 74 Ca -0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1o1x h ALA 74 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1o1x h ALA 74 CO 0.02 0.37 -0.59 0.00 0.00 0.00 0.00 179.25 179.05 1o1x h ALA 75 N 1.12 0.83 -0.00 0.00 0.00 -1.81 -3.00 119.26 116.39 1o1x h ALA 75 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1o1x h ALA 75 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1o1x h ALA 75 CO -0.02 0.72 0.00 0.09 0.00 0.00 0.00 179.25 180.03 1o1x n ASN 76 N -3.89 0.05 0.31 0.00 3.02 -1.13 -2.90 115.26 110.72 1o1x n ASN 76 Ca -0.03 -1.37 0.20 0.00 -0.03 0.00 0.00 54.58 53.36 1o1x n ASN 76 Cb 0.61 -0.00 0.95 0.00 -0.61 0.00 0.00 39.78 40.73 1o1x n ASN 76 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1o1x h ARG 77 N 0.06 0.00 -5.12 3.52 2.47 -1.53 -3.44 114.38 110.35 1o1x h ARG 77 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1o1x h ARG 77 Cb 0.01 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.17 1o1x h ARG 77 CO 0.00 0.01 -0.55 0.71 0.56 0.00 0.00 179.97 180.69 1o1x s TYR 78 N -3.92 3.24 0.34 3.04 2.02 -1.14 -5.06 117.35 115.86 1o1x s TYR 78 Ca -0.02 0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.43 1o1x s TYR 78 Cb 0.11 -2.20 -0.12 0.00 -0.40 0.00 0.00 41.96 39.35 1o1x s TYR 78 CO 0.48 -0.00 1.48 0.54 -1.57 0.00 0.00 175.55 176.49 1o1x n ARG 79 N 4.19 2.56 0.00 -0.62 1.74 -1.26 -1.83 116.66 121.44 1o1x n ARG 79 Ca -0.16 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1o1x n ARG 79 Cb 0.52 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 1o1x n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o1x n GLY 80 N 1.14 1.42 3.68 -0.13 0.00 -1.26 -5.04 105.19 105.00 1o1x n GLY 80 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1o1x n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1x s ILE 81 N -2.35 5.07 -0.43 -0.61 -1.09 -0.76 -4.97 121.20 116.05 1o1x s ILE 81 Ca 0.00 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1o1x s ILE 81 Cb 0.00 -3.29 0.13 0.00 -1.58 0.00 0.00 42.46 37.72 1o1x s ILE 81 CO 0.00 0.46 0.21 -0.13 -1.23 0.00 0.00 174.94 174.25 1o1x s ARG 82 N 0.29 1.36 -0.26 2.79 0.52 -1.26 -4.81 118.95 117.59 1o1x s ARG 82 Ca 0.06 -2.00 -0.12 0.00 -0.52 0.00 0.00 55.73 53.14 1o1x s ARG 82 Cb -0.12 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1o1x s ARG 82 CO -0.01 -1.11 0.25 0.00 0.02 0.00 0.00 175.30 174.45 1o1x s ALA 83 N 0.42 3.56 -0.23 2.13 0.00 -1.26 -1.33 121.76 125.06 1o1x s ALA 83 Ca 0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1o1x s ALA 83 Cb -0.24 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.39 1o1x s ALA 83 CO -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 175.76 175.18 1o1x s ALA 84 N 1.59 2.60 -0.46 0.00 0.00 0.38 -4.92 121.76 120.96 1o1x s ALA 84 Ca 0.11 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1o1x s ALA 84 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1o1x s ALA 84 CO 0.09 -0.66 1.24 -1.17 0.00 0.00 0.00 175.76 175.25 1o1x s LEU 85 N 1.32 3.60 -0.14 0.00 2.96 -1.26 -0.75 118.68 124.42 1o1x s LEU 85 Ca 0.02 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1o1x s LEU 85 Cb -0.16 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1o1x s LEU 85 CO -0.07 -1.34 -0.22 0.00 -1.32 0.00 0.00 176.35 173.41 1o1x n LEU 87 N 4.04 0.67 -3.66 0.00 7.99 -1.26 -4.70 117.00 120.08 1o1x n LEU 87 Ca -0.20 -0.37 -0.10 0.00 -0.01 0.00 0.00 56.01 55.32 1o1x n LEU 87 Cb 0.52 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.78 1o1x n LEU 87 CO 0.27 0.17 0.14 0.72 -1.51 0.00 0.00 177.39 177.17 1o1x s PHE 88 N -2.95 -0.18 0.29 -1.77 -0.71 -1.26 -5.01 117.98 106.39 1o1x s PHE 88 Ca 0.04 -0.13 0.02 0.00 -1.04 0.00 0.00 56.93 55.82 1o1x s PHE 88 Cb 0.14 0.23 0.60 0.00 -1.21 0.00 0.00 43.02 42.77 1o1x s PHE 88 CO 0.79 -0.67 1.81 -1.35 -1.34 0.00 0.00 175.22 174.46 1o1x h PRO 89 N 2.46 0.88 -1.99 1.99 0.11 -1.88 -3.18 132.00 130.38 1o1x h PRO 89 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1o1x h PRO 89 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1o1x h PRO 89 CO 0.47 0.58 0.00 -0.25 -0.21 0.00 0.00 178.00 178.60 1o1x n ASP 90 N -4.68 0.00 0.00 -2.05 9.92 -1.26 -0.89 116.55 117.60 1o1x n ASP 90 Ca 0.20 -0.68 0.00 0.00 -0.53 0.00 0.00 54.79 53.78 1o1x n ASP 90 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1o1x n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o1x n ALA 92 N 1.67 0.00 0.04 2.24 0.00 -1.20 -1.55 120.51 121.71 1o1x n ALA 92 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1o1x n ALA 92 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1o1x n ALA 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o1x h ARG 93 N 0.00 -0.19 -0.24 0.00 2.43 -1.29 -2.29 114.38 112.79 1o1x h ARG 93 Ca 0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1o1x h ARG 93 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1o1x h ARG 93 CO 0.00 -0.13 -0.38 -0.07 -1.51 0.00 0.00 179.97 177.89 1o1x h LEU 94 N -0.20 0.58 -1.01 3.80 3.38 -1.56 0.00 115.31 120.31 1o1x h LEU 94 Ca 0.05 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 57.90 1o1x h LEU 94 Cb 0.27 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1o1x h LEU 94 CO -0.15 0.90 0.63 0.00 0.09 0.00 0.00 178.44 179.92 1o1x h ALA 95 N 1.13 1.53 0.00 1.53 0.00 -1.77 0.76 119.26 122.44 1o1x h ALA 95 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1o1x h ALA 95 Cb 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1o1x h ALA 95 CO 0.07 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 1o1x h ARG 96 N 0.98 -0.00 -0.40 0.00 2.47 -1.12 -0.68 114.38 115.62 1o1x h ARG 96 Ca 0.51 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.22 1o1x h ARG 96 Cb 0.53 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1o1x h ARG 96 CO -0.28 0.88 0.22 0.77 0.56 0.00 0.00 179.97 182.12 1o1x h SER 97 N -0.95 0.50 0.00 7.04 0.02 -0.83 -2.53 113.55 116.80 1o1x h SER 97 Ca -0.00 -0.08 -0.35 0.00 -0.84 0.00 0.00 61.79 60.51 1o1x h SER 97 Cb 0.89 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1o1x h SER 97 CO 0.00 0.44 -2.34 1.41 -1.14 0.00 0.00 176.83 175.20 1o1x n HIS 98 N -4.74 0.00 0.78 3.45 8.25 0.25 -1.26 115.22 121.95 1o1x n HIS 98 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1o1x n HIS 98 Cb 0.08 -0.92 0.07 0.00 1.12 0.00 0.00 29.99 30.33 1o1x n HIS 98 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1o1x n ASN 99 N -3.05 2.43 -4.19 0.41 3.02 -0.83 -4.81 115.26 108.24 1o1x n ASN 99 Ca -0.39 -1.72 -0.31 0.00 -0.03 0.00 0.00 54.58 52.14 1o1x n ASN 99 Cb 1.00 0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 40.18 1o1x n ASN 99 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1o1x n ASN 100 N 0.88 -0.33 -4.77 6.41 5.15 -0.72 -4.82 115.26 117.05 1o1x n ASN 100 Ca 0.10 -1.14 -0.41 0.00 -0.60 0.00 0.00 54.58 52.54 1o1x n ASN 100 Cb 0.45 -2.29 -0.01 0.00 -0.53 0.00 0.00 39.78 37.41 1o1x n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o1x s ALA 101 N -3.98 3.52 -0.52 5.20 0.00 -0.34 -4.86 121.76 120.77 1o1x s ALA 101 Ca 0.18 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.64 1o1x s ALA 101 Cb -0.10 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1o1x s ALA 101 CO 0.95 -0.90 0.45 0.27 0.00 0.00 0.00 175.76 176.54 1o1x n ASN 102 N 0.54 0.84 -3.93 0.00 0.23 -0.44 -4.81 115.26 107.68 1o1x n ASN 102 Ca 0.01 -0.92 -0.22 0.00 -0.53 0.00 0.00 54.58 52.92 1o1x n ASN 102 Cb 0.40 0.56 -0.16 0.00 -2.08 0.00 0.00 39.78 38.50 1o1x n ASN 102 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1o1x s ILE 103 N -1.12 0.72 -0.17 1.53 1.01 -0.98 -0.89 121.20 121.30 1o1x s ILE 103 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1o1x s ILE 103 Cb 0.05 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1o1x s ILE 103 CO 0.17 0.27 0.34 -0.22 0.00 0.00 0.00 174.94 175.50 1o1x s LEU 104 N 0.89 4.22 -0.12 2.97 2.96 -0.02 -0.47 118.68 129.12 1o1x s LEU 104 Ca -0.11 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1o1x s LEU 104 Cb -0.15 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1o1x s LEU 104 CO 0.01 0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.29 1o1x s VAL 105 N 0.75 3.39 0.01 1.68 1.01 0.07 -1.06 120.40 126.25 1o1x s VAL 105 Ca 0.18 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1o1x s VAL 105 Cb -0.14 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1o1x s VAL 105 CO 0.06 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.72 1o1x s LEU 106 N 0.08 2.10 -0.57 3.92 1.43 -0.38 -1.83 118.68 123.43 1o1x s LEU 106 Ca -0.04 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1o1x s LEU 106 Cb -0.14 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1o1x s LEU 106 CO 0.04 0.22 0.93 -2.16 0.23 0.00 0.00 176.35 175.61 1o1x s PRO 107 N -0.80 3.27 0.56 1.29 0.04 -1.26 -4.21 135.00 133.88 1o1x s PRO 107 Ca 0.08 -0.43 0.33 0.00 0.04 0.00 0.00 61.00 61.02 1o1x s PRO 107 Cb -0.09 -4.10 1.63 0.00 0.04 0.00 0.00 34.50 31.99 1o1x s PRO 107 CO 0.00 -1.55 2.11 0.78 0.04 0.00 0.00 177.00 178.39 1o1x h GLY 108 N 11.00 0.00 -0.32 0.56 0.00 -1.85 -2.13 103.07 110.33 1o1x h GLY 108 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1o1x h GLY 108 CO 1.10 0.00 -0.70 0.54 0.00 0.00 0.00 176.54 177.48 1o1x n ARG 109 N -3.39 1.09 -0.11 4.80 5.12 -0.52 -4.67 116.66 118.98 1o1x n ARG 109 Ca -0.01 -0.34 -0.14 0.00 -1.93 0.00 0.00 57.85 55.43 1o1x n ARG 109 Cb 0.22 -1.38 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 1o1x n ARG 109 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o1x n LEU 110 N -0.93 1.83 -4.69 0.55 4.77 -0.83 -5.01 117.00 112.68 1o1x n LEU 110 Ca 0.05 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 1o1x n LEU 110 Cb 0.33 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1o1x n LEU 110 CO 0.33 0.73 -0.30 0.27 -1.33 0.00 0.00 177.39 177.09 1o1x s ILE 111 N -2.47 3.78 0.50 -0.08 -4.36 -1.01 -5.11 121.20 112.46 1o1x s ILE 111 Ca -0.23 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 1o1x s ILE 111 Cb 0.07 -2.96 -0.08 0.00 1.25 0.00 0.00 42.46 40.74 1o1x s ILE 111 CO 0.63 -0.22 0.98 -0.83 0.24 0.00 0.00 174.94 175.74 1o1x s GLY 112 N -3.30 2.11 0.18 6.27 0.00 -1.26 -4.90 107.32 106.42 1o1x s GLY 112 Ca 0.30 0.20 -0.13 0.00 0.00 0.00 0.00 44.72 45.08 1o1x s GLY 112 CO 0.20 0.48 1.82 0.00 0.00 0.00 0.00 173.10 175.59 1o1x h ALA 113 N 1.05 0.67 -0.44 3.20 0.00 -1.98 -0.86 119.26 120.91 1o1x h ALA 113 Ca -0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1o1x h ALA 113 Cb 1.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1o1x h ALA 113 CO 0.61 0.02 -0.12 0.93 0.00 0.00 0.00 179.25 180.70 1o1x h GLU 114 N 0.63 0.80 -0.47 0.00 4.39 -2.00 -0.11 114.58 117.82 1o1x h GLU 114 Ca 0.21 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1o1x h GLU 114 Cb 0.02 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1o1x h GLU 114 CO -0.09 0.89 0.25 1.25 -1.16 0.00 0.00 179.01 180.15 1o1x h LEU 115 N 0.72 0.60 -0.69 1.33 5.85 -1.90 -2.19 115.31 119.02 1o1x h LEU 115 Ca 0.12 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1o1x h LEU 115 Cb 0.61 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1o1x h LEU 115 CO 0.04 0.52 0.33 0.00 -0.34 0.00 0.00 178.44 178.99 1o1x h ALA 116 N 1.10 0.95 -0.72 1.25 0.00 -0.58 -1.18 119.26 120.07 1o1x h ALA 116 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1o1x h ALA 116 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1o1x h ALA 116 CO -0.03 -0.09 0.45 0.74 0.00 0.00 0.00 179.25 180.33 1o1x h PHE 117 N 0.55 0.93 -0.75 0.00 0.04 -0.69 -0.32 116.94 116.71 1o1x h PHE 117 Ca 0.35 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.08 1o1x h PHE 117 Cb 0.39 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1o1x h PHE 117 CO -0.12 0.61 0.31 -1.49 -0.60 0.00 0.00 178.31 177.02 1o1x h TRP 118 N 0.98 1.12 -0.34 -0.55 6.55 -0.97 -0.43 115.95 122.31 1o1x h TRP 118 Ca 0.26 -0.07 -0.04 0.00 0.95 0.00 0.00 58.89 59.99 1o1x h TRP 118 Cb -0.06 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 27.88 1o1x h TRP 118 CO -0.02 0.84 0.08 0.82 -1.05 0.00 0.00 178.44 179.11 1o1x h ILE 119 N 1.08 1.23 -0.30 1.49 2.04 -0.77 -1.85 117.51 120.42 1o1x h ILE 119 Ca 0.25 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1o1x h ILE 119 Cb 0.19 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1o1x h ILE 119 CO -0.02 0.26 0.20 0.58 0.00 0.00 0.00 178.15 179.16 1o1x h VAL 120 N 0.40 1.08 -0.73 1.67 2.07 -0.85 -0.31 116.25 119.58 1o1x h VAL 120 Ca 0.11 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1o1x h VAL 120 Cb 0.31 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1o1x h VAL 120 CO 0.00 0.08 0.48 0.44 0.02 0.00 0.00 177.57 178.59 1o1x h ASP 121 N 0.40 0.84 -0.33 0.57 3.32 -0.99 -0.98 116.42 119.26 1o1x h ASP 121 Ca 0.11 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1o1x h ASP 121 Cb -0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1o1x h ASP 121 CO -0.02 0.61 0.10 0.74 -1.72 0.00 0.00 179.24 178.95 1o1x h THR 122 N 0.99 1.21 -0.57 0.35 2.02 -1.08 -2.21 112.91 113.62 1o1x h THR 122 Ca 0.27 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1o1x h THR 122 Cb -0.11 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1o1x h THR 122 CO -0.06 0.23 0.32 0.15 0.37 0.00 0.00 175.52 176.53 1o1x h PHE 123 N 0.37 0.60 0.00 3.16 3.57 -0.69 -2.33 116.94 121.62 1o1x h PHE 123 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1o1x h PHE 123 Cb 0.25 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1o1x h PHE 123 CO 0.01 0.31 -0.04 1.28 -2.23 0.00 0.00 178.31 177.64 1o1x n LEU 124 N -4.81 0.59 -0.35 0.59 4.77 -0.41 -3.75 117.00 113.64 1o1x n LEU 124 Ca 0.05 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 1o1x n LEU 124 Cb 0.12 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1o1x n LEU 124 CO 0.31 -0.12 0.48 -1.54 -1.33 0.00 0.00 177.39 175.19 1o1x n SER 125 N -2.04 2.13 -4.57 -1.43 3.41 -0.84 -4.97 113.62 105.32 1o1x n SER 125 Ca 0.06 -1.67 -0.35 0.00 -0.26 0.00 0.00 58.87 56.64 1o1x n SER 125 Cb 0.41 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1o1x n SER 125 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1o1x s THR 126 N -0.81 4.65 0.59 6.66 2.01 -0.91 -5.05 115.64 122.77 1o1x s THR 126 Ca 0.12 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 1o1x s THR 126 Cb 0.07 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1o1x s THR 126 CO 0.10 0.41 1.02 -2.16 -0.69 0.00 0.00 174.62 173.29 1o1x s PRO 127 N 0.87 3.62 0.16 4.92 0.04 -1.26 -4.75 135.00 138.60 1o1x s PRO 127 Ca 0.04 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1o1x s PRO 127 Cb -0.14 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1o1x s PRO 127 CO 0.03 -0.55 1.18 0.12 0.04 0.00 0.00 177.00 177.82 1o1x s PHE 128 N -2.87 3.45 -0.23 0.56 5.36 -1.25 -3.63 117.98 119.37 1o1x s PHE 128 Ca 0.58 1.43 0.23 0.00 -0.96 0.00 0.00 56.93 58.20 1o1x s PHE 128 Cb -0.12 -3.41 0.47 0.00 -0.34 0.00 0.00 43.02 39.63 1o1x s PHE 128 CO 0.44 -1.13 1.64 -0.44 -1.46 0.00 0.00 175.22 174.27 1o1x h ASP 129 N 5.50 0.00 0.00 6.13 3.32 -1.39 -3.49 116.42 126.49 1o1x h ASP 129 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1o1x h ASP 129 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1o1x h ASP 129 CO 0.75 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 179.04 1o1x n GLY 130 N 0.88 2.70 7.00 2.75 0.00 -1.26 -4.94 105.19 112.33 1o1x n GLY 130 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1o1x n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1x n GLY 131 N 0.00 2.85 0.00 -0.02 0.00 -1.26 -2.04 105.19 104.71 1o1x n GLY 131 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1o1x n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o1x n ARG 132 N 14.00 0.10 0.15 1.61 5.12 -1.26 -2.69 116.66 133.69 1o1x n ARG 132 Ca 0.00 0.14 0.02 0.00 -1.93 0.00 0.00 57.85 56.08 1o1x n ARG 132 Cb 0.00 -1.50 0.19 0.00 -1.16 0.00 0.00 32.46 29.99 1o1x n ARG 132 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1o1x h HIS 133 N 0.00 0.00 -0.54 -1.55 3.86 -1.73 -3.33 115.15 111.87 1o1x h HIS 133 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1o1x h HIS 133 Cb 0.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1o1x h HIS 133 CO 0.00 0.54 0.30 1.49 0.86 0.00 0.00 177.93 181.12 1o1x h GLU 134 N 0.00 0.75 -0.89 2.45 4.57 -1.57 -1.85 114.58 118.03 1o1x h GLU 134 Ca -0.01 -0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.20 1o1x h GLU 134 Cb 1.12 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.48 1o1x h GLU 134 CO 0.07 0.57 0.53 -0.09 -1.18 0.00 0.00 179.01 178.91 1o1x h ARG 135 N 0.72 0.83 -0.32 1.92 2.43 -1.79 -1.41 114.38 116.77 1o1x h ARG 135 Ca 0.19 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1o1x h ARG 135 Cb 0.04 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1o1x h ARG 135 CO -0.03 0.55 -0.13 0.00 -1.51 0.00 0.00 179.97 178.85 1o1x h ARG 136 N 0.86 0.65 -0.55 0.20 3.08 -1.51 -0.86 114.38 116.25 1o1x h ARG 136 Ca 0.44 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1o1x h ARG 136 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1o1x h ARG 136 CO -0.26 0.86 0.08 0.82 -1.07 0.00 0.00 179.97 180.40 1o1x h ILE 137 N 0.42 1.24 -0.60 2.04 2.04 -1.03 -2.13 117.51 119.49 1o1x h ILE 137 Ca 0.07 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1o1x h ILE 137 Cb 0.65 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1o1x h ILE 137 CO 0.04 0.34 0.15 0.03 0.00 0.00 0.00 178.15 178.72 1o1x h ARG 138 N 0.83 0.96 -0.25 2.37 3.08 -1.15 -3.02 114.38 117.19 1o1x h ARG 138 Ca 0.17 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1o1x h ARG 138 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1o1x h ARG 138 CO 0.01 0.88 0.17 0.87 -1.07 0.00 0.00 179.97 180.83 1o1x h LYS 139 N 0.87 0.29 -0.95 0.04 1.57 -0.74 -1.38 116.57 116.27 1o1x h LYS 139 Ca 0.19 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1o1x h LYS 139 Cb 0.35 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 1o1x h LYS 139 CO 0.00 0.19 0.60 0.82 -0.57 0.00 0.00 179.45 180.50 1o1x h ILE 140 N 0.30 0.90 -0.08 1.86 2.04 -1.26 -2.09 117.51 119.18 1o1x h ILE 140 Ca 0.10 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1o1x h ILE 140 Cb 0.03 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1o1x h ILE 140 CO -0.02 0.16 0.00 0.47 0.00 0.00 0.00 178.15 178.76 1o1x n ASP 141 N -4.58 2.16 -4.24 1.72 8.00 -0.54 -4.40 116.55 114.66 1o1x n ASP 141 Ca 0.18 -1.73 -0.43 0.00 0.71 0.00 0.00 54.79 53.51 1o1x n ASP 141 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1o1x n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1o1x n GLU 142 N 0.68 3.47 0.00 -1.24 1.02 -0.79 -5.03 120.64 118.75 1o1x n GLU 142 Ca 0.17 -3.73 0.15 0.00 -0.02 0.00 0.00 57.16 53.73 1o1x n GLU 142 Cb 0.45 -3.00 0.70 0.00 -0.02 0.00 0.00 31.44 29.57 1o1x n GLU 142 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64