#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6x s ARG 5 N 0.00 0.77 0.00 -2.82 1.70 -1.26 -3.31 118.95 114.02 3h6x s ARG 5 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 3h6x s ARG 5 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3h6x s ARG 5 CO 0.00 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 3h6x n GLY 6 N 0.76 -1.19 3.44 3.88 0.00 -0.42 -4.98 105.19 106.68 3h6x n GLY 6 Ca -0.19 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3h6x n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h6x s PHE 7 N -3.00 2.41 0.03 1.61 0.08 -1.26 -1.21 117.98 116.64 3h6x s PHE 7 Ca 0.00 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.74 3h6x s PHE 7 Cb 0.00 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3h6x s PHE 7 CO 0.00 0.37 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.22 3h6x s GLU 8 N -2.16 0.44 0.36 0.44 2.02 -0.53 -4.99 118.70 114.29 3h6x s GLU 8 Ca 0.16 -0.67 -0.28 0.00 0.02 0.00 0.00 54.97 54.21 3h6x s GLU 8 Cb -0.10 -0.17 -0.10 0.00 0.10 0.00 0.00 34.13 33.86 3h6x s GLU 8 CO 0.08 0.02 1.32 -0.51 0.02 0.00 0.00 175.26 176.19 3h6x s LEU 9 N -1.44 4.33 0.81 1.80 1.43 -1.26 -0.93 118.68 123.42 3h6x s LEU 9 Ca -0.11 2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 3h6x s LEU 9 Cb -0.09 -3.75 0.08 0.00 0.03 0.00 0.00 46.19 42.45 3h6x s LEU 9 CO -0.00 -0.69 1.09 0.27 0.23 0.00 0.00 176.35 177.26 3h6x s ILE 10 N -1.19 3.06 0.44 -0.59 -4.36 -0.54 -4.79 121.20 113.23 3h6x s ILE 10 Ca 0.52 0.35 0.25 0.00 -0.26 0.00 0.00 60.65 61.51 3h6x s ILE 10 Cb -0.40 -3.03 0.28 0.00 1.25 0.00 0.00 42.46 40.56 3h6x s ILE 10 CO 0.52 -0.45 2.08 0.71 0.24 0.00 0.00 174.94 178.04 3h6x h THR 11 N -1.15 0.66 0.00 8.37 1.35 -1.95 -2.37 112.91 117.82 3h6x h THR 11 Ca -0.47 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3h6x h THR 11 Cb 1.27 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3h6x h THR 11 CO 0.58 0.11 0.00 0.47 -0.25 0.00 0.00 175.52 176.43 3h6x n ASP 12 N -3.79 0.27 -4.14 5.36 8.00 -1.26 -4.76 116.55 116.24 3h6x n ASP 12 Ca -0.02 0.56 -0.20 0.00 0.71 0.00 0.00 54.79 55.84 3h6x n ASP 12 Cb 0.22 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 3h6x n ASP 12 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h6x s TYR 13 N -3.12 1.22 0.00 1.24 2.02 -0.89 -5.05 117.35 112.77 3h6x s TYR 13 Ca 0.07 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3h6x s TYR 13 Cb 0.10 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3h6x s TYR 13 CO 0.34 0.03 0.29 0.25 -1.57 0.00 0.00 175.55 174.89 3h6x n THR 14 N 1.97 0.00 -2.45 -0.71 -2.24 -1.26 -4.53 114.28 105.06 3h6x n THR 14 Ca -0.18 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 3h6x n THR 14 Cb 0.55 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 70.14 3h6x n THR 14 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h6x s ASP 15 N -0.02 6.38 0.12 3.42 -1.08 -1.26 -4.86 116.67 119.36 3h6x s ASP 15 Ca 0.00 0.56 0.17 0.00 -0.52 0.00 0.00 52.55 52.76 3h6x s ASP 15 Cb 0.00 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.65 3h6x s ASP 15 CO 0.00 -1.45 1.53 -0.62 0.52 0.00 0.00 175.17 175.15 3h6x n GLU 16 N 8.17 0.08 0.32 4.34 1.02 -1.26 -1.55 120.64 131.76 3h6x n GLU 16 Ca 0.14 0.36 0.19 0.00 -0.02 0.00 0.00 57.16 57.83 3h6x n GLU 16 Cb 0.49 -1.67 1.06 0.00 -0.02 0.00 0.00 31.44 31.29 3h6x n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3h6x h ASN 17 N 0.00 0.00 1.28 1.62 -1.24 -2.04 -1.97 115.58 113.23 3h6x h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h6x h ASN 17 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3h6x h ASN 17 CO 0.00 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 3h6x n LEU 18 N -3.49 0.75 -4.67 0.34 4.77 -0.59 -4.79 117.00 109.32 3h6x n LEU 18 Ca -0.03 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.12 3h6x n LEU 18 Cb 0.08 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3h6x n LEU 18 CO 0.24 -0.27 1.26 -0.76 -1.33 0.00 0.00 177.39 176.53 3h6x s LEU 19 N -4.46 4.32 0.48 2.23 1.43 -0.74 -4.55 118.68 117.38 3h6x s LEU 19 Ca 0.09 2.20 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 3h6x s LEU 19 Cb 0.12 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 3h6x s LEU 19 CO 0.54 -0.84 1.23 -2.84 0.23 0.00 0.00 176.35 174.68 3h6x s PRO 20 N 3.21 3.60 0.16 1.29 0.02 -1.26 -5.05 135.00 136.96 3h6x s PRO 20 Ca 0.69 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.67 3h6x s PRO 20 Cb -0.33 -2.39 -0.05 0.00 0.02 0.00 0.00 34.50 31.75 3h6x s PRO 20 CO 0.28 -0.73 -0.02 -1.59 -0.33 0.00 0.00 177.00 174.61 3h6x s LYS 21 N -2.72 1.06 0.18 5.54 -2.85 -1.26 -4.87 119.74 114.83 3h6x s LYS 21 Ca 0.65 -1.49 -0.24 0.00 -1.00 0.00 0.00 55.97 53.89 3h6x s LYS 21 Cb -0.33 -0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.06 3h6x s LYS 21 CO 0.40 -0.09 0.77 1.03 0.10 0.00 0.00 175.35 177.56 3h6x s ARG 22 N -3.88 4.50 0.24 1.78 0.52 -1.26 -1.35 118.95 119.49 3h6x s ARG 22 Ca 0.21 1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 56.52 3h6x s ARG 22 Cb 0.06 -3.16 0.27 0.00 0.52 0.00 0.00 34.95 32.63 3h6x s ARG 22 CO 0.02 0.53 1.63 1.49 0.02 0.00 0.00 175.30 178.99 3h6x h GLU 23 N 4.09 0.55 -4.87 3.54 4.81 -1.95 -3.45 114.58 117.30 3h6x h GLU 23 Ca -0.47 -0.25 -0.32 0.00 -0.13 0.00 0.00 59.36 58.19 3h6x h GLU 23 Cb 1.20 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 3h6x h GLU 23 CO 0.66 0.82 -0.65 0.95 -0.73 0.00 0.00 179.01 180.06 3h6x s THR 24 N -4.33 0.72 0.41 0.32 -4.23 -1.26 -5.05 115.64 102.22 3h6x s THR 24 Ca -0.07 -1.99 0.39 0.00 -1.18 0.00 0.00 61.69 58.83 3h6x s THR 24 Cb 0.13 -2.26 0.41 0.00 1.34 0.00 0.00 72.50 72.12 3h6x s THR 24 CO 0.81 -0.36 2.19 0.00 -0.54 0.00 0.00 174.62 176.72 3h6x h ALA 25 N 2.60 1.03 -0.12 3.99 0.00 -2.03 -2.56 119.26 122.17 3h6x h ALA 25 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3h6x h ALA 25 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3h6x h ALA 25 CO 0.63 0.01 0.00 0.72 0.00 0.00 0.00 179.25 180.61 3h6x n HIS 26 N -3.14 0.15 -2.12 0.00 8.25 -1.26 -5.03 115.22 112.07 3h6x n HIS 26 Ca -0.01 -0.47 -0.37 0.00 -0.26 0.00 0.00 57.72 56.60 3h6x n HIS 26 Cb 0.18 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3h6x n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h6x s ALA 27 N -0.96 2.94 0.11 -1.41 0.00 -0.97 -4.95 121.76 116.52 3h6x s ALA 27 Ca 0.08 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.15 3h6x s ALA 27 Cb 0.04 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.51 3h6x s ALA 27 CO 0.06 -0.86 1.25 0.00 0.00 0.00 0.00 175.76 176.21 3h6x h ALA 28 N 1.91 0.33 -3.22 0.00 0.00 -1.96 -3.48 119.26 112.84 3h6x h ALA 28 Ca -0.50 -0.92 -0.66 0.00 0.00 0.00 0.00 54.91 52.83 3h6x h ALA 28 Cb 1.26 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 3h6x h ALA 28 CO 0.59 1.22 -0.61 0.20 0.00 0.00 0.00 179.25 180.66 3h6x s GLY 29 N -4.71 1.94 -0.18 0.00 0.00 -1.26 -4.58 107.32 98.53 3h6x s GLY 29 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 3h6x s GLY 29 CO 0.83 -0.73 0.23 -0.19 0.00 0.00 0.00 173.10 173.24 3h6x s TYR 30 N -1.09 3.44 -0.42 1.90 1.51 0.56 -4.35 117.35 118.90 3h6x s TYR 30 Ca 0.20 0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 56.50 3h6x s TYR 30 Cb -0.12 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.48 3h6x s TYR 30 CO 0.10 0.26 0.89 -0.51 -1.11 0.00 0.00 175.55 175.18 3h6x s ASP 31 N 0.43 6.54 0.34 2.29 1.01 -0.46 -0.04 116.67 126.78 3h6x s ASP 31 Ca 0.13 0.24 -0.19 0.00 0.71 0.00 0.00 52.55 53.44 3h6x s ASP 31 Cb -0.12 -2.44 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 3h6x s ASP 31 CO 0.02 -0.95 0.83 -0.76 0.21 0.00 0.00 175.17 174.52 3h6x s LEU 32 N 3.55 4.10 0.32 1.23 1.02 -0.32 -4.08 118.68 124.49 3h6x s LEU 32 Ca 0.36 1.50 0.10 0.00 0.02 0.00 0.00 54.13 56.11 3h6x s LEU 32 Cb -0.11 -4.15 -0.06 0.00 0.02 0.00 0.00 46.19 41.89 3h6x s LEU 32 CO 0.23 -0.20 -0.13 -0.54 0.02 0.00 0.00 176.35 175.72 3h6x s LYS 33 N -2.79 1.75 -0.05 1.70 1.02 -1.26 -1.08 119.74 119.04 3h6x s LYS 33 Ca 0.55 -1.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 3h6x s LYS 33 Cb -0.12 -1.70 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3h6x s LYS 33 CO 0.17 0.21 1.14 0.08 -0.92 0.00 0.00 175.35 176.02 3h6x s VAL 34 N -2.60 4.40 0.12 3.17 1.01 0.22 -4.20 120.40 122.53 3h6x s VAL 34 Ca 0.31 1.71 0.06 0.00 0.00 0.00 0.00 61.98 64.06 3h6x s VAL 34 Cb -0.00 -4.10 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 3h6x s VAL 34 CO 0.16 0.03 1.28 0.00 0.00 0.00 0.00 175.10 176.56 3h6x h ALA 35 N 7.23 0.34 -2.53 5.51 0.00 -1.10 0.11 119.26 128.82 3h6x h ALA 35 Ca -0.35 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 53.58 3h6x h ALA 35 Cb 1.17 -0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 3h6x h ALA 35 CO 0.85 1.19 -0.22 -1.83 0.00 0.00 0.00 179.25 179.25 3h6x s GLU 36 N -2.75 0.81 0.07 0.00 -1.05 -1.26 -4.76 118.70 109.76 3h6x s GLU 36 Ca 0.00 -0.41 -0.37 0.00 -0.15 0.00 0.00 54.97 54.05 3h6x s GLU 36 Cb 0.10 0.36 -0.16 0.00 -0.44 0.00 0.00 34.13 33.98 3h6x s GLU 36 CO 0.83 -0.26 1.40 -2.13 0.95 0.00 0.00 175.26 176.05 3h6x n ARG 37 N 0.69 1.28 -3.99 -4.83 0.63 -1.26 -4.44 116.66 104.74 3h6x n ARG 37 Ca -0.19 0.46 -0.21 0.00 -0.92 0.00 0.00 57.85 56.99 3h6x n ARG 37 Cb 0.59 -2.13 -0.17 0.00 0.45 0.00 0.00 32.46 31.21 3h6x n ARG 37 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3h6x s THR 38 N 0.76 0.46 -0.05 5.15 2.01 -0.07 -4.95 115.64 118.95 3h6x s THR 38 Ca 0.85 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.75 3h6x s THR 38 Cb -0.93 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 3h6x s THR 38 CO 0.47 0.23 0.22 -1.61 -0.69 0.00 0.00 174.62 173.24 3h6x s GLU 39 N 1.32 3.55 -0.19 4.92 2.02 -1.26 -0.51 118.70 128.55 3h6x s GLU 39 Ca -0.05 -0.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.89 3h6x s GLU 39 Cb -0.13 -3.15 0.05 0.00 0.10 0.00 0.00 34.13 30.99 3h6x s GLU 39 CO -0.02 0.72 -0.05 0.42 0.02 0.00 0.00 175.26 176.34 3h6x s ILE 40 N -1.14 1.23 0.82 -1.63 1.01 0.34 -5.00 121.20 116.83 3h6x s ILE 40 Ca 0.21 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3h6x s ILE 40 Cb -0.13 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 40.98 3h6x s ILE 40 CO 0.10 0.05 1.14 -0.44 0.00 0.00 0.00 174.94 175.79 3h6x s SER 41 N 1.56 3.79 -0.12 3.58 0.01 -1.26 -1.22 113.70 120.04 3h6x s SER 41 Ca -0.01 2.10 -0.38 0.00 1.31 0.00 0.00 55.95 58.96 3h6x s SER 41 Cb -0.16 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.36 3h6x s SER 41 CO -0.07 -2.52 1.64 0.00 0.41 0.00 0.00 173.24 172.70 3h6x n ALA 42 N -3.61 -0.15 -0.88 1.44 0.00 -1.26 -1.38 120.51 114.67 3h6x n ALA 42 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3h6x n ALA 42 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3h6x n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6x n GLY 43 N 3.71 0.87 3.89 0.00 0.00 -0.35 -5.00 105.19 108.31 3h6x n GLY 43 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3h6x n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6x s ALA 44 N -3.41 3.44 -0.17 4.61 0.00 -0.48 -4.75 121.76 121.00 3h6x s ALA 44 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3h6x s ALA 44 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3h6x s ALA 44 CO 0.00 -0.05 0.01 0.42 0.00 0.00 0.00 175.76 176.14 3h6x s ILE 45 N -2.41 4.24 -0.03 0.00 1.01 -1.26 -1.52 121.20 121.24 3h6x s ILE 45 Ca 0.48 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.92 3h6x s ILE 45 Cb -0.10 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3h6x s ILE 45 CO 0.35 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 175.00 3h6x s VAL 46 N 0.44 0.63 -0.42 2.92 1.01 -1.26 -5.01 120.40 118.72 3h6x s VAL 46 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3h6x s VAL 46 Cb -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3h6x s VAL 46 CO 0.02 0.21 1.17 -0.76 0.00 0.00 0.00 175.10 175.74 3h6x s LEU 47 N 0.31 3.72 -0.24 3.92 1.43 -1.26 -4.39 118.68 122.17 3h6x s LEU 47 Ca -0.04 0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 53.62 3h6x s LEU 47 Cb -0.09 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3h6x s LEU 47 CO 0.00 -1.17 0.37 -0.69 0.23 0.00 0.00 176.35 175.10 3h6x s VAL 48 N 4.36 5.19 0.46 -1.59 1.01 0.54 -4.86 120.40 125.52 3h6x s VAL 48 Ca 0.50 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 3h6x s VAL 48 Cb -0.10 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3h6x s VAL 48 CO 0.27 0.20 1.11 -2.16 0.00 0.00 0.00 175.10 174.53 3h6x s PRO 49 N 1.72 3.79 -0.00 2.72 0.04 -1.26 -1.10 135.00 140.90 3h6x s PRO 49 Ca 0.16 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.86 3h6x s PRO 49 Cb -0.15 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 3h6x s PRO 49 CO 0.09 -0.49 0.11 2.41 0.04 0.00 0.00 177.00 179.15 3h6x n THR 50 N -0.60 0.00 -0.83 1.26 -1.04 -1.04 -0.65 114.28 111.38 3h6x n THR 50 Ca 0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3h6x n THR 50 Cb 0.50 0.67 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 3h6x n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h6x n GLY 51 N 1.78 0.97 3.34 3.41 0.00 -1.26 -4.42 105.19 109.01 3h6x n GLY 51 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3h6x n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h6x s VAL 52 N -3.39 1.67 0.27 1.61 -7.23 -1.26 -1.47 120.40 110.59 3h6x s VAL 52 Ca 0.00 -2.19 0.09 0.00 -1.81 0.00 0.00 61.98 58.07 3h6x s VAL 52 Cb 0.00 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 3h6x s VAL 52 CO 0.00 -0.59 -0.13 -1.59 -0.31 0.00 0.00 175.10 172.48 3h6x s LYS 53 N -3.66 1.58 -0.04 4.82 -2.85 -0.11 -0.99 119.74 118.49 3h6x s LYS 53 Ca 0.22 -1.75 0.02 0.00 -1.00 0.00 0.00 55.97 53.46 3h6x s LYS 53 Cb -0.00 -1.44 0.01 0.00 -2.06 0.00 0.00 37.83 34.34 3h6x s LYS 53 CO 0.07 0.19 -0.09 0.00 0.10 0.00 0.00 175.35 175.62 3h6x s ALA 54 N -2.77 0.92 0.36 0.59 0.00 -1.26 -1.46 121.76 118.14 3h6x s ALA 54 Ca 0.28 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.04 3h6x s ALA 54 Cb -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3h6x s ALA 54 CO 0.12 0.10 0.21 1.52 0.00 0.00 0.00 175.76 177.71 3h6x s TYR 55 N 0.52 2.74 0.44 0.00 -0.85 -0.35 -4.34 117.35 115.50 3h6x s TYR 55 Ca -0.09 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 3h6x s TYR 55 Cb -0.12 -1.80 0.01 0.00 0.38 0.00 0.00 41.96 40.43 3h6x s TYR 55 CO 0.01 0.22 0.62 -0.65 -1.52 0.00 0.00 175.55 174.23 3h6x s GLN 57 N -3.93 2.86 0.45 -3.49 -0.21 -1.21 -1.29 119.66 112.83 3h6x s GLN 57 Ca 0.40 -0.94 -0.25 0.00 0.02 0.00 0.00 55.36 54.60 3h6x s GLN 57 Cb -0.02 -2.67 -0.08 0.00 1.00 0.00 0.00 33.01 31.24 3h6x s GLN 57 CO 0.24 -0.32 1.39 0.14 -2.12 0.00 0.00 175.29 174.62 3h6x s VAL 58 N -2.46 2.22 0.00 1.09 -7.23 -1.26 -2.11 120.40 110.66 3h6x s VAL 58 Ca 0.52 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 3h6x s VAL 58 Cb -0.10 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3h6x s VAL 58 CO 0.35 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 3h6x n GLY 59 N 0.61 0.55 3.41 2.32 0.00 -1.26 -5.04 105.19 105.78 3h6x n GLY 59 Ca 0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3h6x n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6x s GLU 60 N -0.12 1.61 0.08 1.61 2.02 -0.90 -1.13 118.70 121.86 3h6x s GLU 60 Ca 0.00 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 53.78 3h6x s GLU 60 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 3h6x s GLU 60 CO 0.00 0.47 -0.10 0.54 0.02 0.00 0.00 175.26 176.20 3h6x s VAL 61 N -1.02 0.81 -0.20 2.63 0.11 -1.26 -4.37 120.40 117.09 3h6x s VAL 61 Ca 0.15 -1.44 -0.04 0.00 -2.93 0.00 0.00 61.98 57.72 3h6x s VAL 61 Cb -0.10 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 3h6x s VAL 61 CO 0.06 -0.48 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.10 3h6x s LEU 62 N -2.11 3.03 -0.11 2.54 2.96 -0.88 -4.32 118.68 119.78 3h6x s LEU 62 Ca -0.00 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3h6x s LEU 62 Cb -0.05 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3h6x s LEU 62 CO 0.00 0.04 0.10 -0.31 -1.32 0.00 0.00 176.35 174.86 3h6x s TYR 63 N 1.16 3.48 -0.21 5.38 2.02 -0.12 -0.62 117.35 128.43 3h6x s TYR 63 Ca 0.02 0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 57.09 3h6x s TYR 63 Cb -0.15 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 3h6x s TYR 63 CO -0.00 0.66 0.05 -0.51 -1.57 0.00 0.00 175.55 174.19 3h6x s LEU 64 N -1.01 3.56 0.16 -1.29 1.43 0.26 -0.72 118.68 121.07 3h6x s LEU 64 Ca 0.15 -0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.26 3h6x s LEU 64 Cb -0.12 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3h6x s LEU 64 CO 0.04 0.07 -0.19 -0.36 0.23 0.00 0.00 176.35 176.15 3h6x s PHE 65 N 0.96 2.47 0.69 0.29 0.08 0.36 -1.00 117.98 121.83 3h6x s PHE 65 Ca 0.03 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 3h6x s PHE 65 Cb -0.14 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3h6x s PHE 65 CO 0.03 0.45 1.22 -3.47 -0.10 0.00 0.00 175.22 173.35 3h6x n ASP 66 N 0.46 1.62 -4.76 1.36 -0.08 -1.26 -0.73 116.55 113.16 3h6x n ASP 66 Ca -0.14 0.76 -0.40 0.00 -1.51 0.00 0.00 54.79 53.50 3h6x n ASP 66 Cb 0.54 -1.52 -0.06 0.00 2.34 0.00 0.00 41.12 42.42 3h6x n ASP 66 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3h6x s ARG 67 N -3.49 4.73 0.32 -0.67 0.52 -1.25 -4.62 118.95 114.48 3h6x s ARG 67 Ca 0.80 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 57.44 3h6x s ARG 67 Cb -0.36 -3.28 0.82 0.00 0.52 0.00 0.00 34.95 32.66 3h6x s ARG 67 CO 0.44 0.53 1.76 1.03 0.02 0.00 0.00 175.30 179.07 3h6x h SER 68 N 4.29 0.72 1.10 0.23 0.87 -1.96 -1.28 113.55 117.52 3h6x h SER 68 Ca -0.46 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3h6x h SER 68 Cb 1.20 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3h6x h SER 68 CO 0.67 0.19 0.00 -1.54 -0.53 0.00 0.00 176.83 175.63 3h6x n SER 69 N -4.80 0.29 0.15 6.23 3.41 -1.26 -4.10 113.62 113.54 3h6x n SER 69 Ca 0.25 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.25 3h6x n SER 69 Cb 0.66 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3h6x n SER 69 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3h6x h ASN 70 N 0.00 -0.72 -0.04 4.04 2.35 -1.49 0.16 115.58 119.87 3h6x h ASN 70 Ca 0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3h6x h ASN 70 Cb 0.55 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 3h6x h ASN 70 CO 0.00 -0.37 -0.02 -0.65 -1.65 0.00 0.00 177.43 174.73 3h6x h PRO 71 N -0.53 0.09 0.00 0.81 0.11 -1.51 -0.02 132.00 130.95 3h6x h PRO 71 Ca 0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3h6x h PRO 71 Cb 0.51 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3h6x h PRO 71 CO -0.09 0.50 -0.35 0.07 -0.21 0.00 0.00 178.00 177.91 3h6x h ARG 72 N -0.31 0.00 0.02 1.05 0.11 -1.77 -2.41 114.38 111.07 3h6x h ARG 72 Ca 0.01 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.70 3h6x h ARG 72 Cb 0.47 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.49 3h6x h ARG 72 CO 0.01 0.29 -2.39 1.63 0.10 0.00 0.00 179.97 179.61 3h6x n LYS 73 N -3.15 0.67 -0.00 0.08 4.76 0.04 -4.68 118.16 115.87 3h6x n LYS 73 Ca 0.02 0.18 0.07 0.00 -2.87 0.00 0.00 58.31 55.71 3h6x n LYS 73 Cb 0.66 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 3h6x n LYS 73 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3h6x n LYS 74 N -3.34 1.51 -1.08 1.97 5.02 -0.17 -4.99 118.16 117.08 3h6x n LYS 74 Ca -0.44 -0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 55.77 3h6x n LYS 74 Cb 0.99 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.75 3h6x n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6x n GLY 75 N 1.49 0.58 3.51 0.72 0.00 -0.34 -4.96 105.19 106.20 3h6x n GLY 75 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3h6x n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h6x s LEU 76 N -0.59 2.81 0.07 0.99 1.43 -0.92 -4.05 118.68 118.43 3h6x s LEU 76 Ca 0.00 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3h6x s LEU 76 Cb 0.00 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3h6x s LEU 76 CO 0.00 0.25 -0.11 0.68 0.23 0.00 0.00 176.35 177.40 3h6x s VAL 77 N -0.99 0.91 -0.52 -1.59 -7.23 -0.77 -1.81 120.40 108.41 3h6x s VAL 77 Ca 0.16 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.69 3h6x s VAL 77 Cb -0.11 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.81 3h6x s VAL 77 CO 0.07 -0.37 1.34 -0.22 -0.31 0.00 0.00 175.10 175.61 3h6x s LEU 78 N -1.92 3.48 0.37 1.32 2.96 -1.26 -0.68 118.68 122.95 3h6x s LEU 78 Ca -0.02 0.41 0.19 0.00 -0.22 0.00 0.00 54.13 54.49 3h6x s LEU 78 Cb -0.08 -3.25 0.60 0.00 0.50 0.00 0.00 46.19 43.96 3h6x s LEU 78 CO 0.01 -1.55 1.69 -0.29 -1.32 0.00 0.00 176.35 174.89 3h6x h ILE 79 N 6.35 0.78 -0.45 6.68 6.09 -1.55 -0.71 117.51 134.71 3h6x h ILE 79 Ca -0.26 -1.57 0.00 0.00 -1.37 0.00 0.00 64.86 61.66 3h6x h ILE 79 Cb 1.09 2.00 0.00 0.00 0.47 0.00 0.00 36.82 40.38 3h6x h ILE 79 CO 1.15 0.35 0.00 -0.46 -3.07 0.00 0.00 178.15 176.13 3h6x n ASN 80 N -3.42 2.46 0.00 2.19 2.04 -1.26 -4.97 115.26 112.31 3h6x n ASN 80 Ca 0.00 -1.98 0.00 0.00 -0.44 0.00 0.00 54.58 52.16 3h6x n ASN 80 Cb 0.54 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 3h6x n ASN 80 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3h6x n SER 81 N 0.85 0.00 -3.73 0.53 7.64 -0.27 -4.68 113.62 113.95 3h6x n SER 81 Ca 0.16 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 3h6x n SER 81 Cb 0.39 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 3h6x n SER 81 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3h6x s VAL 82 N 0.00 -0.10 -0.06 0.44 1.01 -1.26 -4.45 120.40 115.98 3h6x s VAL 82 Ca 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 3h6x s VAL 82 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3h6x s VAL 82 CO 0.00 0.10 0.72 -0.83 0.00 0.00 0.00 175.10 175.10 3h6x s GLY 83 N 1.48 2.63 -0.40 4.51 0.00 -0.17 -4.88 107.32 110.49 3h6x s GLY 83 Ca -0.05 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.77 3h6x s GLY 83 CO -0.05 1.23 0.20 0.14 0.00 0.00 0.00 173.10 174.62 3h6x s VAL 84 N 0.84 3.66 -0.42 1.40 1.01 -1.26 -0.58 120.40 125.05 3h6x s VAL 84 Ca 0.39 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 3h6x s VAL 84 Cb -0.18 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.91 3h6x s VAL 84 CO 0.19 -0.52 0.31 -0.63 0.00 0.00 0.00 175.10 174.45 3h6x s ILE 85 N 1.28 5.11 0.56 2.22 -1.09 0.21 -5.01 121.20 124.48 3h6x s ILE 85 Ca 0.04 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.47 3h6x s ILE 85 Cb -0.23 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 3h6x s ILE 85 CO -0.01 -0.38 1.01 -1.81 -1.23 0.00 0.00 174.94 172.52 3h6x s ASP 86 N 1.92 6.28 0.47 3.58 1.01 -1.26 -2.07 116.67 126.60 3h6x s ASP 86 Ca 0.04 1.62 0.23 0.00 0.71 0.00 0.00 52.55 55.15 3h6x s ASP 86 Cb -0.21 -2.51 1.16 0.00 1.01 0.00 0.00 42.92 42.38 3h6x s ASP 86 CO 0.08 -0.83 1.96 1.23 0.21 0.00 0.00 175.17 177.82 3h6x h GLY 87 N 0.52 0.00 -1.06 0.21 0.00 -1.92 -2.22 103.07 98.60 3h6x h GLY 87 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3h6x h GLY 87 CO 0.60 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.23 3h6x n ASP 88 N -3.68 1.89 -0.02 0.19 5.68 -1.26 -3.72 116.55 115.63 3h6x n ASP 88 Ca -0.01 -1.79 -0.10 0.00 -0.50 0.00 0.00 54.79 52.39 3h6x n ASP 88 Cb 0.32 -0.15 0.05 0.00 -1.14 0.00 0.00 41.12 40.20 3h6x n ASP 88 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3h6x h TYR 89 N 2.41 0.78 -1.59 2.11 3.20 -1.75 -3.42 116.97 118.71 3h6x h TYR 89 Ca 0.00 -0.26 -0.71 0.00 3.14 0.00 0.00 58.73 60.90 3h6x h TYR 89 Cb 0.53 -0.15 0.04 0.00 1.54 0.00 0.00 36.73 38.69 3h6x h TYR 89 CO 0.15 1.00 0.54 0.98 -1.64 0.00 0.00 178.16 179.19 3h6x n TYR 90 N -3.99 1.59 -1.81 -3.82 9.36 -1.24 -1.96 117.16 115.30 3h6x n TYR 90 Ca -0.03 0.65 -0.19 0.00 3.32 0.00 0.00 57.90 61.65 3h6x n TYR 90 Cb 0.58 -2.35 -0.06 0.00 -0.63 0.00 0.00 39.34 36.89 3h6x n TYR 90 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3h6x n ASN 91 N 3.19 -5.40 -4.73 2.98 3.02 -0.06 -4.81 115.26 109.45 3h6x n ASN 91 Ca 0.21 0.33 -0.34 0.00 -0.03 0.00 0.00 54.58 54.74 3h6x n ASN 91 Cb 0.16 -4.55 0.08 0.00 -0.61 0.00 0.00 39.78 34.87 3h6x n ASN 91 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3h6x s ASN 92 N -2.59 4.40 0.04 6.41 4.22 -0.83 -4.75 114.94 121.85 3h6x s ASN 92 Ca 0.00 2.32 0.21 0.00 -2.14 0.00 0.00 52.86 53.24 3h6x s ASN 92 Cb 0.00 -2.59 0.86 0.00 1.28 0.00 0.00 41.25 40.81 3h6x s ASN 92 CO 0.00 -2.12 1.66 -2.65 -2.04 0.00 0.00 177.10 171.95 3h6x n PRO 93 N -2.57 0.04 -0.02 3.55 -0.02 -1.26 -1.09 135.00 133.63 3h6x n PRO 93 Ca 0.13 0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 3h6x n PRO 93 Cb 0.50 -1.56 -0.13 0.00 -0.02 0.00 0.00 33.50 32.29 3h6x n PRO 93 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3h6x h ASN 94 N 0.00 0.27 0.00 2.55 2.35 -1.97 -3.43 115.58 115.35 3h6x h ASN 94 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 3h6x h ASN 94 Cb 0.37 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3h6x h ASN 94 CO 0.00 1.55 -0.25 -0.46 -1.65 0.00 0.00 177.43 176.62 3h6x n ASN 95 N -4.06 0.00 0.00 5.81 0.23 -1.24 -5.00 115.26 111.00 3h6x n ASN 95 Ca -0.26 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 3h6x n ASN 95 Cb 0.83 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 3h6x n ASN 95 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3h6x n GLU 96 N 0.00 -0.57 -0.72 -3.83 2.13 -0.25 -1.90 120.64 115.51 3h6x n GLU 96 Ca 0.00 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3h6x n GLU 96 Cb 0.60 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.62 3h6x n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h6x n GLY 97 N -1.52 0.56 3.68 8.31 0.00 -1.21 -0.88 105.19 114.13 3h6x n GLY 97 Ca 0.00 -0.69 -0.49 0.00 0.00 0.00 0.00 46.02 44.84 3h6x n GLY 97 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3h6x n HIS 98 N -2.72 2.27 -2.93 1.61 -0.00 -0.80 -4.32 115.22 108.34 3h6x n HIS 98 Ca 0.00 0.11 -0.41 0.00 0.46 0.00 0.00 57.72 57.88 3h6x n HIS 98 Cb 0.00 -2.62 -0.04 0.00 -0.12 0.00 0.00 29.99 27.21 3h6x n HIS 98 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3h6x s ILE 99 N 3.52 4.93 0.10 3.57 1.01 -0.16 -5.00 121.20 129.16 3h6x s ILE 99 Ca 0.91 1.59 0.07 0.00 0.00 0.00 0.00 60.65 63.23 3h6x s ILE 99 Cb -0.74 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 3h6x s ILE 99 CO 0.52 0.09 -0.11 -0.36 0.00 0.00 0.00 174.94 175.07 3h6x s PHE 100 N 1.76 2.71 -0.26 3.97 0.40 -1.26 -2.48 117.98 122.82 3h6x s PHE 100 Ca 0.38 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.48 3h6x s PHE 100 Cb -0.17 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3h6x s PHE 100 CO 0.15 0.41 0.06 0.00 0.70 0.00 0.00 175.22 176.54 3h6x s ALA 101 N -1.19 3.09 0.44 5.36 0.00 -0.26 -4.86 121.76 124.33 3h6x s ALA 101 Ca 0.21 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 3h6x s ALA 101 Cb -0.11 -2.06 -0.10 0.00 0.00 0.00 0.00 23.12 20.85 3h6x s ALA 101 CO 0.13 -0.63 0.91 -1.14 0.00 0.00 0.00 175.76 175.04 3h6x s GLN 102 N 1.56 4.09 -0.28 0.00 0.74 -1.26 -0.34 119.66 124.17 3h6x s GLN 102 Ca 0.05 0.96 -0.21 0.00 0.05 0.00 0.00 55.36 56.21 3h6x s GLN 102 Cb -0.16 -2.22 0.08 0.00 1.10 0.00 0.00 33.01 31.82 3h6x s GLN 102 CO 0.02 -0.07 0.76 0.21 -0.55 0.00 0.00 175.29 175.67 3h6x s LYS 104 N -3.44 0.73 0.75 1.67 2.20 0.14 -1.23 119.74 120.56 3h6x s LYS 104 Ca 0.59 1.01 -0.04 0.00 -0.36 0.00 0.00 55.97 57.17 3h6x s LYS 104 Cb -0.10 0.28 0.13 0.00 -1.51 0.00 0.00 37.83 36.63 3h6x s LYS 104 CO 0.20 -0.11 1.04 1.21 -0.36 0.00 0.00 175.35 177.33 3h6x s ASN 105 N 0.84 4.24 0.00 1.43 3.84 -0.57 -1.85 114.94 122.88 3h6x s ASN 105 Ca -0.04 -0.14 0.00 0.00 0.21 0.00 0.00 52.86 52.90 3h6x s ASN 105 Cb -0.05 -0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.40 3h6x s ASN 105 CO -0.08 -1.94 0.00 0.35 -2.79 0.00 0.00 177.10 172.64 3h6x n THR 107 N -2.98 0.00 -0.42 -5.21 -2.24 -1.26 -1.22 114.28 100.96 3h6x n THR 107 Ca 0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 3h6x n THR 107 Cb 0.60 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.17 3h6x n THR 107 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h6x n ASP 108 N -4.15 4.19 -4.23 3.42 5.68 -1.26 -3.29 116.55 116.91 3h6x n ASP 108 Ca 0.00 -2.13 -0.22 0.00 -0.50 0.00 0.00 54.79 51.94 3h6x n ASP 108 Cb 0.47 -0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 39.81 3h6x n ASP 108 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3h6x s GLN 109 N -1.26 1.05 0.28 0.11 -1.52 -1.26 -4.81 119.66 112.25 3h6x s GLN 109 Ca 0.50 -1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 3h6x s GLN 109 Cb 0.28 -1.20 -0.12 0.00 -0.22 0.00 0.00 33.01 31.75 3h6x s GLN 109 CO 0.31 0.28 1.49 2.41 -0.25 0.00 0.00 175.29 179.53 3h6x n THR 110 N 1.33 1.14 -4.63 -0.19 -1.04 -1.26 -4.26 114.28 105.37 3h6x n THR 110 Ca -0.19 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.20 3h6x n THR 110 Cb 0.54 -1.74 -0.12 0.00 -1.82 0.00 0.00 70.33 67.18 3h6x n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3h6x s VAL 111 N -0.19 3.55 -0.16 12.58 1.01 -0.36 -4.97 120.40 131.87 3h6x s VAL 111 Ca 0.64 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3h6x s VAL 111 Cb -0.56 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3h6x s VAL 111 CO 0.51 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 175.39 3h6x s VAL 112 N -0.24 3.33 -0.29 2.92 1.01 -1.26 -0.50 120.40 125.36 3h6x s VAL 112 Ca 0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3h6x s VAL 112 Cb -0.13 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3h6x s VAL 112 CO 0.03 0.49 0.21 -0.76 0.00 0.00 0.00 175.10 175.06 3h6x s LEU 113 N 0.67 4.08 0.46 3.92 1.43 0.34 -4.99 118.68 124.58 3h6x s LEU 113 Ca -0.05 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3h6x s LEU 113 Cb -0.15 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 3h6x s LEU 113 CO 0.02 -0.08 0.95 -1.61 0.23 0.00 0.00 176.35 175.87 3h6x s GLU 114 N 1.78 4.12 0.20 1.70 0.41 -1.26 -0.89 118.70 124.75 3h6x s GLU 114 Ca 0.07 1.04 -0.33 0.00 -0.41 0.00 0.00 54.97 55.35 3h6x s GLU 114 Cb -0.16 -2.18 -0.14 0.00 -1.78 0.00 0.00 34.13 29.87 3h6x s GLU 114 CO 0.11 -0.11 1.43 0.00 -0.49 0.00 0.00 175.26 176.20 3h6x n ALA 115 N -0.97 0.82 0.00 5.21 0.00 -1.26 -2.06 120.51 122.25 3h6x n ALA 115 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3h6x n ALA 115 Cb 0.54 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3h6x n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6x n GLY 116 N 2.53 1.58 3.75 0.00 0.00 0.37 -4.95 105.19 108.46 3h6x n GLY 116 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3h6x n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6x s GLU 117 N -0.67 4.38 0.27 1.61 2.02 -0.87 -4.63 118.70 120.80 3h6x s GLU 117 Ca 0.00 2.11 -0.29 0.00 0.02 0.00 0.00 54.97 56.80 3h6x s GLU 117 Cb 0.00 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 3h6x s GLU 117 CO 0.00 -0.24 1.21 1.03 0.02 0.00 0.00 175.26 177.28 3h6x s ARG 118 N -0.54 4.49 0.00 1.61 0.52 -1.26 -0.61 118.95 123.17 3h6x s ARG 118 Ca 0.55 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 3h6x s ARG 118 Cb -0.38 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3h6x s ARG 118 CO 0.42 -0.02 0.00 1.55 0.02 0.00 0.00 175.30 177.26 3h6x n VAL 119 N 1.51 0.00 -4.16 3.52 3.14 -0.24 -4.90 118.33 117.21 3h6x n VAL 119 Ca 0.01 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.28 3h6x n VAL 119 Cb 0.44 -0.32 -0.10 0.00 -1.06 0.00 0.00 33.84 32.80 3h6x n VAL 119 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3h6x s VAL 120 N -1.62 0.04 -0.05 1.55 -7.23 -1.22 -3.90 120.40 107.97 3h6x s VAL 120 Ca 0.00 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 3h6x s VAL 120 Cb 0.00 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 3h6x s VAL 120 CO 0.00 -0.20 -0.22 0.00 -0.31 0.00 0.00 175.10 174.37 3h6x s GLN 121 N -4.10 2.46 -0.13 4.82 -2.07 0.09 -1.18 119.66 119.56 3h6x s GLN 121 Ca 0.31 -0.85 -0.02 0.00 -1.82 0.00 0.00 55.36 52.98 3h6x s GLN 121 Cb 0.07 -2.20 -0.03 0.00 -1.09 0.00 0.00 33.01 29.75 3h6x s GLN 121 CO 0.07 0.48 -0.04 0.20 -1.32 0.00 0.00 175.29 174.68 3h6x s GLY 122 N -0.39 1.72 -0.09 2.60 0.00 0.94 -0.48 107.32 111.61 3h6x s GLY 122 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3h6x s GLY 122 CO 0.02 -0.27 -0.17 0.14 0.00 0.00 0.00 173.10 172.82 3h6x s VAL 123 N -0.05 1.53 0.41 1.40 1.01 0.10 -0.32 120.40 124.48 3h6x s VAL 123 Ca 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3h6x s VAL 123 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3h6x s VAL 123 CO 0.03 0.44 0.67 -0.36 0.00 0.00 0.00 175.10 175.88 3h6x s PHE 124 N 0.72 3.53 0.08 5.22 0.08 -1.26 -0.95 117.98 125.40 3h6x s PHE 124 Ca -0.12 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.57 3h6x s PHE 124 Cb -0.16 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3h6x s PHE 124 CO 0.03 -0.07 0.17 -1.25 -0.10 0.00 0.00 175.22 174.01 3h6x s PRO 126 N -4.41 3.24 0.26 0.24 0.04 -1.26 -4.99 135.00 128.12 3h6x s PRO 126 Ca 0.44 -0.56 0.03 0.00 0.04 0.00 0.00 61.00 60.95 3h6x s PRO 126 Cb -0.10 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 3h6x s PRO 126 CO 0.39 0.58 0.03 -0.59 0.04 0.00 0.00 177.00 177.46 3h6x s PHE 127 N -1.52 1.67 0.13 0.56 -0.71 -0.29 -4.84 117.98 112.99 3h6x s PHE 127 Ca 0.33 -0.98 0.09 0.00 -1.04 0.00 0.00 56.93 55.33 3h6x s PHE 127 Cb -0.12 -1.01 -0.04 0.00 -1.21 0.00 0.00 43.02 40.64 3h6x s PHE 127 CO 0.26 -0.08 -0.22 -0.51 -1.34 0.00 0.00 175.22 173.33 3h6x s LEU 128 N -3.36 2.34 0.10 -1.99 1.43 -1.26 -4.80 118.68 111.14 3h6x s LEU 128 Ca 0.33 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3h6x s LEU 128 Cb 0.07 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 3h6x s LEU 128 CO 0.12 0.07 0.18 -0.76 0.23 0.00 0.00 176.35 176.19 3h6x s LEU 129 N -2.15 4.14 0.70 1.79 1.43 -1.26 -5.11 118.68 118.22 3h6x s LEU 129 Ca 0.11 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 3h6x s LEU 129 Cb -0.09 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3h6x s LEU 129 CO 0.06 0.13 1.07 0.27 0.23 0.00 0.00 176.35 178.11 3h6x s ILE 130 N -1.55 3.81 0.25 -0.59 -4.36 -1.26 -4.98 121.20 112.52 3h6x s ILE 130 Ca 0.33 0.59 -0.31 0.00 -0.26 0.00 0.00 60.65 61.00 3h6x s ILE 130 Cb -0.12 -3.48 -0.13 0.00 1.25 0.00 0.00 42.46 39.98 3h6x s ILE 130 CO 0.26 -0.77 1.45 0.47 0.24 0.00 0.00 174.94 176.59 3h6x n ASP 131 N -3.05 2.99 0.00 4.36 8.00 -1.26 -5.37 116.55 122.22 3h6x n ASP 131 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3h6x n ASP 131 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3h6x n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42