#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6x n GLY 6 N 0.00 -1.57 3.47 2.89 0.00 -0.33 -4.98 105.19 104.66 3h6x n GLY 6 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.85 2.49 0.04 1.61 0.08 -1.26 -1.34 117.98 116.75 3h6x s PHE 7 Ca 0.00 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3h6x s PHE 7 Cb 0.00 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 3h6x s PHE 7 CO 0.00 0.38 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.21 3h6x s GLU 8 N -2.13 0.51 0.35 0.44 2.02 -0.47 -4.99 118.70 114.44 3h6x s GLU 8 Ca 0.17 -0.71 -0.28 0.00 0.02 0.00 0.00 54.97 54.17 3h6x s GLU 8 Cb -0.10 -0.29 -0.11 0.00 0.10 0.00 0.00 34.13 33.73 3h6x s GLU 8 CO 0.09 0.05 1.40 -0.51 0.02 0.00 0.00 175.26 176.31 3h6x s LEU 9 N -1.46 4.37 0.76 1.80 1.43 -1.26 -0.81 118.68 123.51 3h6x s LEU 9 Ca -0.09 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 3h6x s LEU 9 Cb -0.09 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 42.51 3h6x s LEU 9 CO 0.00 -0.70 1.08 0.27 0.23 0.00 0.00 176.35 177.23 3h6x s ILE 10 N -1.09 3.51 0.54 -0.59 -4.36 -0.62 -4.79 121.20 113.81 3h6x s ILE 10 Ca 0.51 0.49 0.21 0.00 -0.26 0.00 0.00 60.65 61.60 3h6x s ILE 10 Cb -0.43 -3.10 0.30 0.00 1.25 0.00 0.00 42.46 40.49 3h6x s ILE 10 CO 0.58 -0.64 2.17 0.71 0.24 0.00 0.00 174.94 177.99 3h6x h THR 11 N -1.01 0.84 0.00 8.37 1.35 -1.95 -2.31 112.91 118.20 3h6x h THR 11 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3h6x h THR 11 Cb 1.23 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3h6x h THR 11 CO 0.54 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.28 3h6x n ASP 12 N -4.31 0.42 -4.15 5.36 8.00 -1.26 -4.75 116.55 115.85 3h6x n ASP 12 Ca -0.02 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.88 3h6x n ASP 12 Cb 0.12 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.22 1.30 0.00 1.24 2.02 -0.87 -5.04 117.35 112.77 3h6x s TYR 13 Ca 0.04 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3h6x s TYR 13 Cb 0.09 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3h6x s TYR 13 CO 0.31 0.03 0.31 0.25 -1.57 0.00 0.00 175.55 174.88 3h6x n THR 14 N 2.00 0.00 -2.53 -0.71 -2.24 -1.26 -4.56 114.28 104.98 3h6x n THR 14 Ca -0.17 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 3h6x n THR 14 Cb 0.55 1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.07 6.44 0.10 3.42 -1.08 -1.26 -4.87 116.67 119.36 3h6x s ASP 15 Ca 0.00 0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.55 3h6x s ASP 15 Cb 0.00 -2.55 0.71 0.00 -1.46 0.00 0.00 42.92 39.62 3h6x s ASP 15 CO 0.00 -1.44 1.51 -0.62 0.52 0.00 0.00 175.17 175.15 3h6x n GLU 16 N 8.23 0.07 0.29 4.34 1.02 -1.26 -1.52 120.64 131.81 3h6x n GLU 16 Ca 0.11 0.35 0.18 0.00 -0.02 0.00 0.00 57.16 57.78 3h6x n GLU 16 Cb 0.49 -1.64 0.99 0.00 -0.02 0.00 0.00 31.44 31.26 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 1.29 1.62 -1.24 -2.04 -1.88 115.58 113.33 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 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3h6x h ASN 17 CO 0.00 0.00 0.00 -0.07 -1.29 0.00 0.00 177.43 176.07 3h6x h LEU 18 N 0.00 0.00 -9.30 0.34 3.38 -1.65 -3.45 115.31 104.63 3h6x h LEU 18 Ca 0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 3h6x h LEU 18 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h6x h LEU 18 CO -0.00 0.00 1.03 -0.76 0.09 0.00 0.00 178.44 178.80 3h6x s LEU 19 N -4.79 4.32 0.47 1.67 1.43 -0.71 -4.54 118.68 116.53 3h6x s LEU 19 Ca 0.08 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.17 3h6x s LEU 19 Cb 0.10 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 3h6x s LEU 19 CO 0.54 -0.88 1.24 -2.84 0.23 0.00 0.00 176.35 174.64 3h6x s PRO 20 N 3.59 3.66 0.19 1.29 0.02 -1.26 -5.04 135.00 137.45 3h6x s PRO 20 Ca 0.71 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.73 3h6x s PRO 20 Cb -0.33 -2.46 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 3h6x s PRO 20 CO 0.29 -0.69 -0.01 -1.59 -0.33 0.00 0.00 177.00 174.68 3h6x s LYS 21 N -2.63 1.17 0.14 5.54 -2.85 -1.26 -4.84 119.74 115.01 3h6x s LYS 21 Ca 0.64 -1.57 -0.21 0.00 -1.00 0.00 0.00 55.97 53.83 3h6x s LYS 21 Cb -0.34 -0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 34.97 3h6x s LYS 21 CO 0.41 -0.11 0.67 1.03 0.10 0.00 0.00 175.35 177.46 3h6x s ARG 22 N -3.89 4.33 0.24 1.78 0.52 -1.26 -1.48 118.95 119.19 3h6x s ARG 22 Ca 0.25 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.39 3h6x s ARG 22 Cb 0.06 -3.16 0.25 0.00 0.52 0.00 0.00 34.95 32.62 3h6x s ARG 22 CO 0.05 0.56 1.57 1.49 0.02 0.00 0.00 175.30 178.99 3h6x h GLU 23 N 4.18 0.30 -4.79 3.54 4.81 -1.94 -3.46 114.58 117.23 3h6x h GLU 23 Ca -0.48 -0.19 -0.29 0.00 -0.13 0.00 0.00 59.36 58.27 3h6x h GLU 23 Cb 1.21 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 3h6x h GLU 23 CO 0.65 0.78 -0.66 0.95 -0.73 0.00 0.00 179.01 180.00 3h6x s THR 24 N -3.87 0.63 0.23 0.32 -4.23 -1.26 -5.05 115.64 102.41 3h6x s THR 24 Ca -0.05 -1.98 0.36 0.00 -1.18 0.00 0.00 61.69 58.84 3h6x s THR 24 Cb 0.12 -2.16 0.38 0.00 1.34 0.00 0.00 72.50 72.18 3h6x s THR 24 CO 0.80 -0.43 2.08 0.00 -0.54 0.00 0.00 174.62 176.53 3h6x h ALA 25 N 2.68 1.00 -0.04 3.99 0.00 -2.03 -2.68 119.26 122.18 3h6x h ALA 25 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h6x h ALA 25 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3h6x h ALA 25 CO 0.62 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.59 3h6x n HIS 26 N -2.91 0.05 -1.95 0.00 8.25 -1.26 -5.05 115.22 112.35 3h6x n HIS 26 Ca -0.01 -0.46 -0.38 0.00 -0.26 0.00 0.00 57.72 56.62 3h6x n HIS 26 Cb 0.18 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.92 2.84 0.10 -1.41 0.00 -1.01 -4.94 121.76 116.42 3h6x s ALA 27 Ca 0.03 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3h6x s ALA 27 Cb 0.01 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.39 3h6x s ALA 27 CO 0.02 -1.13 1.22 0.00 0.00 0.00 0.00 175.76 175.87 3h6x h ALA 28 N 1.60 0.23 -3.02 0.00 0.00 -1.96 -3.48 119.26 112.63 3h6x h ALA 28 Ca -0.50 -0.90 -0.65 0.00 0.00 0.00 0.00 54.91 52.86 3h6x h ALA 28 Cb 1.28 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3h6x h ALA 28 CO 0.58 1.12 -0.55 0.20 0.00 0.00 0.00 179.25 180.60 3h6x s GLY 29 N -4.69 2.07 -0.18 0.00 0.00 -1.26 -4.60 107.32 98.66 3h6x s GLY 29 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 3h6x s GLY 29 CO 0.85 -0.76 0.17 -0.19 0.00 0.00 0.00 173.10 173.18 3h6x s TYR 30 N -1.27 3.44 -0.46 1.90 1.51 0.43 -4.34 117.35 118.56 3h6x s TYR 30 Ca 0.26 0.42 -0.24 0.00 -1.01 0.00 0.00 57.07 56.50 3h6x s TYR 30 Cb -0.12 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 3h6x s TYR 30 CO 0.17 0.31 0.82 -0.51 -1.11 0.00 0.00 175.55 175.23 3h6x s ASP 31 N 0.28 6.43 0.37 2.29 1.01 -0.55 -0.07 116.67 126.43 3h6x s ASP 31 Ca 0.11 -0.07 -0.22 0.00 0.71 0.00 0.00 52.55 53.08 3h6x s ASP 31 Cb -0.12 -2.40 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 3h6x s ASP 31 CO 0.00 -0.96 0.90 -0.76 0.21 0.00 0.00 175.17 174.57 3h6x s LEU 32 N 3.41 4.10 0.30 1.23 1.02 -0.31 -4.11 118.68 124.32 3h6x s LEU 32 Ca 0.31 1.66 0.11 0.00 0.02 0.00 0.00 54.13 56.23 3h6x s LEU 32 Cb -0.12 -4.26 -0.06 0.00 0.02 0.00 0.00 46.19 41.77 3h6x s LEU 32 CO 0.23 -0.23 -0.15 -0.54 0.02 0.00 0.00 176.35 175.68 3h6x s LYS 33 N -2.75 1.70 -0.03 1.70 1.02 -1.26 -1.10 119.74 119.02 3h6x s LYS 33 Ca 0.56 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 3h6x s LYS 33 Cb -0.12 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 3h6x s LYS 33 CO 0.17 0.24 1.20 0.08 -0.92 0.00 0.00 175.35 176.12 3h6x s VAL 34 N -2.60 4.21 0.06 3.17 1.01 0.42 -4.22 120.40 122.45 3h6x s VAL 34 Ca 0.30 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.93 3h6x s VAL 34 Cb -0.02 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 3h6x s VAL 34 CO 0.15 0.03 1.33 0.00 0.00 0.00 0.00 175.10 176.61 3h6x h ALA 35 N 7.30 0.44 -2.50 5.51 0.00 -1.14 0.18 119.26 129.05 3h6x h ALA 35 Ca -0.36 -0.80 -0.08 0.00 0.00 0.00 0.00 54.91 53.68 3h6x h ALA 35 Cb 1.18 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.66 3h6x h ALA 35 CO 0.86 1.10 -0.07 -1.83 0.00 0.00 0.00 179.25 179.31 3h6x s GLU 36 N -2.79 0.94 0.13 0.00 -1.05 -1.26 -4.77 118.70 109.89 3h6x s GLU 36 Ca 0.02 -0.29 -0.35 0.00 -0.15 0.00 0.00 54.97 54.19 3h6x s GLU 36 Cb 0.10 0.42 -0.15 0.00 -0.44 0.00 0.00 34.13 34.06 3h6x s GLU 36 CO 0.80 -0.32 1.45 -2.13 0.95 0.00 0.00 175.26 176.01 3h6x n ARG 37 N 0.55 1.66 -3.77 -4.83 0.63 -1.26 -4.42 116.66 105.22 3h6x n ARG 37 Ca -0.19 0.60 -0.21 0.00 -0.92 0.00 0.00 57.85 57.13 3h6x n ARG 37 Cb 0.60 -2.30 -0.17 0.00 0.45 0.00 0.00 32.46 31.03 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 0.63 0.20 -0.01 5.15 2.01 -0.00 -4.95 115.64 118.67 3h6x s THR 38 Ca 0.81 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.91 3h6x s THR 38 Cb -0.81 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3h6x s THR 38 CO 0.43 0.22 0.32 -1.61 -0.69 0.00 0.00 174.62 173.28 3h6x s GLU 39 N 1.87 3.71 -0.22 4.92 2.02 -1.26 -0.56 118.70 129.18 3h6x s GLU 39 Ca 0.02 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3h6x s GLU 39 Cb -0.12 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 31.02 3h6x s GLU 39 CO -0.04 0.68 -0.05 0.42 0.02 0.00 0.00 175.26 176.30 3h6x s ILE 40 N -1.17 1.38 0.80 -1.63 1.01 0.54 -5.00 121.20 117.13 3h6x s ILE 40 Ca 0.24 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3h6x s ILE 40 Cb -0.14 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.75 3h6x s ILE 40 CO 0.13 -0.08 1.16 -0.44 0.00 0.00 0.00 174.94 175.71 3h6x s SER 41 N 1.47 3.86 -0.11 3.58 0.01 -1.26 -1.27 113.70 119.98 3h6x s SER 41 Ca -0.04 2.18 -0.38 0.00 1.31 0.00 0.00 55.95 59.01 3h6x s SER 41 Cb -0.18 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.32 3h6x s SER 41 CO -0.07 -2.48 1.58 0.00 0.41 0.00 0.00 173.24 172.68 3h6x n ALA 42 N -3.37 -0.46 -0.89 1.44 0.00 -1.26 -1.23 120.51 114.73 3h6x n ALA 42 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3h6x n ALA 42 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.49 0.73 3.89 0.00 0.00 -0.16 -5.00 105.19 108.14 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 -3.15 3.44 -0.17 4.61 0.00 -0.37 -4.75 121.76 121.37 3h6x s ALA 44 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 3h6x s ALA 44 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3h6x s ALA 44 CO 0.00 0.00 0.02 0.42 0.00 0.00 0.00 175.76 176.20 3h6x s ILE 45 N -2.35 4.34 -0.03 0.00 1.01 -1.26 -1.59 121.20 121.33 3h6x s ILE 45 Ca 0.48 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.96 3h6x s ILE 45 Cb -0.10 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3h6x s ILE 45 CO 0.33 0.47 -0.09 -0.69 0.00 0.00 0.00 174.94 174.96 3h6x s VAL 46 N 0.45 0.79 -0.44 2.92 1.01 -1.26 -5.01 120.40 118.86 3h6x s VAL 46 Ca -0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3h6x s VAL 46 Cb -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3h6x s VAL 46 CO 0.02 0.25 1.09 -0.76 0.00 0.00 0.00 175.10 175.69 3h6x s LEU 47 N 0.19 3.76 -0.23 3.92 1.43 -1.26 -4.36 118.68 122.13 3h6x s LEU 47 Ca -0.03 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 3h6x s LEU 47 Cb -0.09 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3h6x s LEU 47 CO 0.00 -1.14 0.37 -0.69 0.23 0.00 0.00 176.35 175.13 3h6x s VAL 48 N 4.17 5.21 0.43 -1.59 1.01 0.47 -4.86 120.40 125.23 3h6x s VAL 48 Ca 0.45 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 3h6x s VAL 48 Cb -0.09 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 3h6x s VAL 48 CO 0.27 0.23 1.06 -2.16 0.00 0.00 0.00 175.10 174.50 3h6x s PRO 49 N 1.51 4.01 -0.01 2.72 0.04 -1.26 -0.98 135.00 141.03 3h6x s PRO 49 Ca 0.17 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.75 3h6x s PRO 49 Cb -0.15 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 3h6x s PRO 49 CO 0.08 -0.28 0.12 2.41 0.04 0.00 0.00 177.00 179.38 3h6x n THR 50 N -0.40 0.00 -0.61 1.26 -1.04 -1.04 -0.74 114.28 111.71 3h6x n THR 50 Ca 0.07 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3h6x n THR 50 Cb 0.50 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.50 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 2.04 1.66 3.41 3.41 0.00 -1.26 -4.42 105.19 110.03 3h6x n GLY 51 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.56 1.93 0.28 1.61 -7.23 -1.26 -1.59 120.40 110.58 3h6x s VAL 52 Ca 0.00 -2.24 0.07 0.00 -1.81 0.00 0.00 61.98 58.00 3h6x s VAL 52 Cb 0.00 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3h6x s VAL 52 CO 0.00 -0.45 -0.06 -1.59 -0.31 0.00 0.00 175.10 172.69 3h6x s LYS 53 N -3.63 1.54 -0.04 4.82 -2.85 0.01 -1.11 119.74 118.49 3h6x s LYS 53 Ca 0.27 -1.78 0.02 0.00 -1.00 0.00 0.00 55.97 53.48 3h6x s LYS 53 Cb -0.00 -1.17 0.01 0.00 -2.06 0.00 0.00 37.83 34.61 3h6x s LYS 53 CO 0.11 0.05 -0.06 0.00 0.10 0.00 0.00 175.35 175.54 3h6x s ALA 54 N -3.00 0.74 0.38 0.59 0.00 -1.26 -1.36 121.76 117.85 3h6x s ALA 54 Ca 0.29 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.16 3h6x s ALA 54 Cb 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3h6x s ALA 54 CO 0.12 0.06 0.29 1.52 0.00 0.00 0.00 175.76 177.75 3h6x s TYR 55 N 0.57 2.74 0.46 0.00 -0.85 -0.45 -4.33 117.35 115.49 3h6x s TYR 55 Ca -0.08 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 3h6x s TYR 55 Cb -0.12 -1.97 0.01 0.00 0.38 0.00 0.00 41.96 40.27 3h6x s TYR 55 CO 0.01 0.07 0.66 -0.65 -1.52 0.00 0.00 175.55 174.12 3h6x s GLN 57 N -4.02 2.84 0.43 -3.49 -0.21 -1.26 -1.19 119.66 112.76 3h6x s GLN 57 Ca 0.44 -0.81 -0.26 0.00 0.02 0.00 0.00 55.36 54.75 3h6x s GLN 57 Cb -0.03 -2.61 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 3h6x s GLN 57 CO 0.26 -0.38 1.42 0.14 -2.12 0.00 0.00 175.29 174.61 3h6x s VAL 58 N -2.54 2.13 0.00 1.09 -7.23 -1.26 -2.00 120.40 110.60 3h6x s VAL 58 Ca 0.52 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 3h6x s VAL 58 Cb -0.10 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.77 3h6x s VAL 58 CO 0.36 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 3h6x n GLY 59 N 0.57 0.55 3.37 2.32 0.00 -1.26 -5.03 105.19 105.71 3h6x n GLY 59 Ca 0.04 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.28 1.54 0.07 1.61 2.02 -0.84 -1.19 118.70 121.62 3h6x s GLU 60 Ca 0.00 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.77 3h6x s GLU 60 Cb 0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 3h6x s GLU 60 CO 0.00 0.47 -0.10 0.54 0.02 0.00 0.00 175.26 176.19 3h6x s VAL 61 N -0.97 0.81 -0.20 2.63 0.11 -1.26 -4.33 120.40 117.19 3h6x s VAL 61 Ca 0.13 -1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 57.77 3h6x s VAL 61 Cb -0.10 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 3h6x s VAL 61 CO 0.05 -0.45 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.07 3h6x s LEU 62 N -2.03 2.79 -0.12 2.54 2.96 -0.89 -4.32 118.68 119.62 3h6x s LEU 62 Ca -0.01 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3h6x s LEU 62 Cb -0.06 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3h6x s LEU 62 CO 0.00 0.02 0.09 -0.31 -1.32 0.00 0.00 176.35 174.83 3h6x s TYR 63 N 1.25 3.44 -0.23 5.38 2.02 -0.03 -0.65 117.35 128.53 3h6x s TYR 63 Ca 0.03 0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 57.05 3h6x s TYR 63 Cb -0.14 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3h6x s TYR 63 CO -0.03 0.61 0.07 -0.51 -1.57 0.00 0.00 175.55 174.12 3h6x s LEU 64 N -0.86 3.58 0.16 -1.29 1.43 0.46 -0.82 118.68 121.35 3h6x s LEU 64 Ca 0.14 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3h6x s LEU 64 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3h6x s LEU 64 CO 0.03 0.03 -0.08 -0.36 0.23 0.00 0.00 176.35 176.20 3h6x s PHE 65 N 1.22 2.69 0.71 0.29 0.08 0.40 -1.10 117.98 122.26 3h6x s PHE 65 Ca 0.05 -0.19 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 3h6x s PHE 65 Cb -0.14 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 3h6x s PHE 65 CO 0.04 0.49 1.23 0.34 -0.10 0.00 0.00 175.22 177.22 3h6x s ASP 66 N -2.70 4.26 0.20 1.36 -1.08 -1.26 -0.69 116.67 116.76 3h6x s ASP 66 Ca 0.24 2.44 -0.27 0.00 -0.52 0.00 0.00 52.55 54.44 3h6x s ASP 66 Cb -0.09 -2.60 -0.08 0.00 -1.46 0.00 0.00 42.92 38.68 3h6x s ASP 66 CO 0.15 -2.23 0.85 -0.13 0.52 0.00 0.00 175.17 174.34 3h6x s ARG 67 N -3.76 4.69 0.30 4.34 0.52 -1.25 -4.60 118.95 119.19 3h6x s ARG 67 Ca 0.77 1.30 0.06 0.00 -0.52 0.00 0.00 55.73 57.34 3h6x s ARG 67 Cb -0.32 -3.25 0.78 0.00 0.52 0.00 0.00 34.95 32.68 3h6x s ARG 67 CO 0.44 0.54 1.74 1.03 0.02 0.00 0.00 175.30 179.07 3h6x h SER 68 N 4.21 0.61 1.25 0.23 0.87 -1.96 -1.11 113.55 117.65 3h6x h SER 68 Ca -0.46 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3h6x h SER 68 Cb 1.20 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3h6x h SER 68 CO 0.67 0.14 0.00 -1.54 -0.53 0.00 0.00 176.83 175.56 3h6x n SER 69 N -4.89 0.52 0.13 6.23 3.41 -1.26 -4.12 113.62 113.64 3h6x n SER 69 Ca 0.24 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3h6x n SER 69 Cb 0.65 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.94 0.10 4.04 2.35 -1.46 -0.31 115.58 119.35 3h6x h ASN 70 Ca 0.00 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3h6x h ASN 70 Cb 0.62 0.35 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3h6x h ASN 70 CO 0.00 -0.42 -0.05 -0.65 -1.65 0.00 0.00 177.43 174.66 3h6x h PRO 71 N -0.57 -0.13 0.00 0.81 0.11 -1.54 -0.06 132.00 130.62 3h6x h PRO 71 Ca 0.02 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 3h6x h PRO 71 Cb 0.59 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3h6x h PRO 71 CO -0.18 0.22 -0.29 0.07 -0.21 0.00 0.00 178.00 177.61 3h6x h ARG 72 N -0.49 0.00 0.03 1.05 0.11 -1.77 -2.23 114.38 111.09 3h6x h ARG 72 Ca -0.01 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.68 3h6x h ARG 72 Cb 0.40 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.43 3h6x h ARG 72 CO 0.02 0.29 -2.29 1.63 0.10 0.00 0.00 179.97 179.72 3h6x n LYS 73 N -3.19 0.67 -0.00 0.08 4.76 -0.13 -4.69 118.16 115.66 3h6x n LYS 73 Ca 0.03 0.22 0.08 0.00 -2.87 0.00 0.00 58.31 55.76 3h6x n LYS 73 Cb 0.64 -1.58 -0.11 0.00 -1.84 0.00 0.00 35.03 32.14 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 -3.50 1.17 -1.19 1.97 5.02 -0.18 -4.99 118.16 116.45 3h6x n LYS 74 Ca -0.43 -0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 55.74 3h6x n LYS 74 Cb 0.98 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 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 1.48 0.74 3.51 0.72 0.00 -0.35 -4.96 105.19 106.32 3h6x n GLY 75 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.15 2.80 0.05 0.99 1.43 -0.93 -4.05 118.68 117.82 3h6x s LEU 76 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3h6x s LEU 76 Cb 0.00 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3h6x s LEU 76 CO 0.00 0.21 -0.07 0.68 0.23 0.00 0.00 176.35 177.40 3h6x s VAL 77 N -1.08 0.54 -0.51 -1.59 -7.23 -0.65 -1.95 120.40 107.93 3h6x s VAL 77 Ca 0.18 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 3h6x s VAL 77 Cb -0.11 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.06 3h6x s VAL 77 CO 0.09 -0.49 1.26 -0.22 -0.31 0.00 0.00 175.10 175.43 3h6x s LEU 78 N -1.86 3.53 0.34 1.32 2.96 -1.26 -0.65 118.68 123.06 3h6x s LEU 78 Ca -0.06 0.41 0.17 0.00 -0.22 0.00 0.00 54.13 54.43 3h6x s LEU 78 Cb -0.07 -3.36 0.51 0.00 0.50 0.00 0.00 46.19 43.77 3h6x s LEU 78 CO -0.01 -1.43 1.65 -0.29 -1.32 0.00 0.00 176.35 174.95 3h6x h ILE 79 N 6.29 0.94 -0.32 6.68 6.09 -1.48 -0.73 117.51 134.97 3h6x h ILE 79 Ca -0.25 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.48 3h6x h ILE 79 Cb 1.07 2.07 0.00 0.00 0.47 0.00 0.00 36.82 40.43 3h6x h ILE 79 CO 1.15 0.43 0.00 -0.46 -3.07 0.00 0.00 178.15 176.19 3h6x n ASN 80 N -3.47 1.96 0.00 2.19 2.04 -1.26 -4.97 115.26 111.74 3h6x n ASN 80 Ca 0.00 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 52.23 3h6x n ASN 80 Cb 0.57 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.62 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 0.55 0.00 -3.73 0.53 7.64 -0.28 -4.69 113.62 113.63 3h6x n SER 81 Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.87 3h6x n SER 81 Cb 0.33 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.38 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 62.00 3h6x s VAL 82 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3h6x s VAL 82 CO 0.00 0.11 0.72 -0.83 0.00 0.00 0.00 175.10 175.09 3h6x s GLY 83 N 1.48 2.65 -0.38 4.51 0.00 -0.26 -4.88 107.32 110.43 3h6x s GLY 83 Ca -0.05 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 3h6x s GLY 83 CO -0.05 1.21 0.18 0.14 0.00 0.00 0.00 173.10 174.57 3h6x s VAL 84 N 0.78 3.66 -0.40 1.40 1.01 -1.26 -0.41 120.40 125.18 3h6x s VAL 84 Ca 0.38 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 3h6x s VAL 84 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3h6x s VAL 84 CO 0.19 -0.45 0.27 -0.63 0.00 0.00 0.00 175.10 174.47 3h6x s ILE 85 N 1.30 4.98 0.48 2.22 -1.09 0.18 -5.01 121.20 124.26 3h6x s ILE 85 Ca 0.03 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 3h6x s ILE 85 Cb -0.22 -3.79 -0.08 0.00 -1.58 0.00 0.00 42.46 36.79 3h6x s ILE 85 CO -0.00 -0.30 0.93 -1.81 -1.23 0.00 0.00 174.94 172.53 3h6x s ASP 86 N 1.67 6.63 0.51 3.58 1.01 -1.26 -2.09 116.67 126.71 3h6x s ASP 86 Ca 0.04 1.48 0.21 0.00 0.71 0.00 0.00 52.55 54.99 3h6x s ASP 86 Cb -0.19 -2.47 1.34 0.00 1.01 0.00 0.00 42.92 42.61 3h6x s ASP 86 CO 0.08 -0.52 2.09 1.23 0.21 0.00 0.00 175.17 178.27 3h6x h GLY 87 N 1.10 0.00 -1.48 0.21 0.00 -1.92 -1.77 103.07 99.21 3h6x h GLY 87 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3h6x h GLY 87 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3h6x n ASP 88 N -4.06 2.35 -0.05 0.19 5.68 -1.26 -3.66 116.55 115.74 3h6x n ASP 88 Ca -0.02 -1.89 -0.09 0.00 -0.50 0.00 0.00 54.79 52.29 3h6x n ASP 88 Cb 0.19 -0.22 0.07 0.00 -1.14 0.00 0.00 41.12 40.01 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 2.84 0.83 -1.65 2.11 3.20 -1.67 -3.41 116.97 119.21 3h6x h TYR 89 Ca 0.00 -0.24 -0.70 0.00 3.14 0.00 0.00 58.73 60.94 3h6x h TYR 89 Cb 0.64 -0.18 0.04 0.00 1.54 0.00 0.00 36.73 38.77 3h6x h TYR 89 CO 0.22 0.97 0.61 0.98 -1.64 0.00 0.00 178.16 179.31 3h6x n TYR 90 N -4.04 1.71 -1.81 -3.82 9.36 -1.24 -1.90 117.16 115.41 3h6x n TYR 90 Ca -0.02 0.59 -0.20 0.00 3.32 0.00 0.00 57.90 61.59 3h6x n TYR 90 Cb 0.52 -2.38 -0.06 0.00 -0.63 0.00 0.00 39.34 36.78 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 3.51 -5.48 -4.73 2.98 3.02 -0.11 -4.81 115.26 109.63 3h6x n ASN 91 Ca 0.21 0.35 -0.36 0.00 -0.03 0.00 0.00 54.58 54.75 3h6x n ASN 91 Cb 0.17 -4.67 0.07 0.00 -0.61 0.00 0.00 39.78 34.75 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 -2.60 4.51 0.24 6.41 4.22 -0.80 -4.77 114.94 122.16 3h6x s ASN 92 Ca 0.00 2.46 0.24 0.00 -2.14 0.00 0.00 52.86 53.42 3h6x s ASN 92 Cb 0.00 -2.60 0.95 0.00 1.28 0.00 0.00 41.25 40.87 3h6x s ASN 92 CO 0.00 -2.06 1.71 -2.65 -2.04 0.00 0.00 177.10 172.06 3h6x n PRO 93 N -2.23 0.19 -0.03 3.55 -0.02 -1.26 -1.10 135.00 134.11 3h6x n PRO 93 Ca 0.14 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.84 3h6x n PRO 93 Cb 0.49 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.18 0.00 2.55 2.35 -1.97 -3.43 115.58 115.26 3h6x h ASN 94 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 3h6x h ASN 94 Cb 0.41 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3h6x h ASN 94 CO 0.00 1.22 -0.26 -0.46 -1.65 0.00 0.00 177.43 176.28 3h6x n ASN 95 N -4.38 0.00 0.00 5.81 0.23 -1.23 -5.00 115.26 110.68 3h6x n ASN 95 Ca -0.14 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 3h6x n ASN 95 Cb 0.64 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.46 -0.92 -3.83 2.13 -0.26 -2.04 120.64 115.26 3h6x n GLU 96 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3h6x n GLU 96 Cb 0.60 -3.52 0.00 0.00 0.27 0.00 0.00 31.44 28.79 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 -1.75 0.47 3.68 8.31 0.00 -1.19 -0.93 105.19 113.78 3h6x n GLY 97 Ca 0.00 -0.94 -0.46 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.91 2.40 -2.94 1.61 -0.00 -0.87 -4.31 115.22 108.20 3h6x n HIS 98 Ca 0.00 -0.03 -0.41 0.00 0.46 0.00 0.00 57.72 57.74 3h6x n HIS 98 Cb 0.03 -2.67 -0.04 0.00 -0.12 0.00 0.00 29.99 27.18 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 3.23 4.93 0.08 3.57 1.01 -0.27 -5.01 121.20 128.75 3h6x s ILE 99 Ca 0.87 1.57 0.07 0.00 0.00 0.00 0.00 60.65 63.16 3h6x s ILE 99 Cb -0.61 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 3h6x s ILE 99 CO 0.45 0.10 -0.11 -0.36 0.00 0.00 0.00 174.94 175.01 3h6x s PHE 100 N 1.73 2.72 -0.25 3.97 0.40 -1.26 -2.51 117.98 122.78 3h6x s PHE 100 Ca 0.38 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 3h6x s PHE 100 Cb -0.17 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3h6x s PHE 100 CO 0.15 0.39 0.08 0.00 0.70 0.00 0.00 175.22 176.54 3h6x s ALA 101 N -1.14 3.21 0.39 5.36 0.00 -0.16 -4.86 121.76 124.56 3h6x s ALA 101 Ca 0.19 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 3h6x s ALA 101 Cb -0.11 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 3h6x s ALA 101 CO 0.11 -0.45 0.82 -1.14 0.00 0.00 0.00 175.76 175.10 3h6x s GLN 102 N 1.54 3.98 -0.28 0.00 0.74 -1.26 -0.40 119.66 123.98 3h6x s GLN 102 Ca 0.06 0.73 -0.20 0.00 0.05 0.00 0.00 55.36 56.00 3h6x s GLN 102 Cb -0.15 -2.34 0.10 0.00 1.10 0.00 0.00 33.01 31.72 3h6x s GLN 102 CO 0.04 0.02 0.82 0.21 -0.55 0.00 0.00 175.29 175.83 3h6x s LYS 104 N -3.39 0.64 0.73 1.67 2.20 0.18 -1.09 119.74 120.68 3h6x s LYS 104 Ca 0.55 0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 57.05 3h6x s LYS 104 Cb -0.10 0.22 0.11 0.00 -1.51 0.00 0.00 37.83 36.56 3h6x s LYS 104 CO 0.22 -0.10 1.02 1.21 -0.36 0.00 0.00 175.35 177.34 3h6x s ASN 105 N 0.94 4.37 0.00 1.43 3.84 -0.62 -1.64 114.94 123.26 3h6x s ASN 105 Ca -0.04 -0.05 0.00 0.00 0.21 0.00 0.00 52.86 52.98 3h6x s ASN 105 Cb -0.05 -0.40 0.00 0.00 -0.55 0.00 0.00 41.25 40.25 3h6x s ASN 105 CO -0.10 -1.85 0.00 0.35 -2.79 0.00 0.00 177.10 172.71 3h6x n THR 107 N -2.93 0.00 -0.43 -5.21 -2.24 -1.26 -0.99 114.28 101.23 3h6x n THR 107 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3h6x n THR 107 Cb 0.60 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.13 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 -4.01 3.97 -4.22 3.42 5.68 -1.26 -3.30 116.55 116.83 3h6x n ASP 108 Ca 0.00 -2.17 -0.23 0.00 -0.50 0.00 0.00 54.79 51.90 3h6x n ASP 108 Cb 0.00 -0.46 -0.13 0.00 -1.14 0.00 0.00 41.12 39.38 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 -1.31 1.11 0.25 0.11 -1.52 -1.26 -4.81 119.66 112.23 3h6x s GLN 109 Ca 0.44 -0.94 -0.31 0.00 -1.95 0.00 0.00 55.36 52.60 3h6x s GLN 109 Cb 0.25 -1.22 -0.13 0.00 -0.22 0.00 0.00 33.01 31.69 3h6x s GLN 109 CO 0.26 0.30 1.48 2.41 -0.25 0.00 0.00 175.29 179.49 3h6x n THR 110 N 1.59 0.88 -4.41 -0.19 -1.04 -1.26 -4.25 114.28 105.61 3h6x n THR 110 Ca -0.19 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 3h6x n THR 110 Cb 0.54 -1.63 -0.11 0.00 -1.82 0.00 0.00 70.33 67.31 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 0.06 4.03 -0.19 12.58 1.01 -0.39 -4.97 120.40 132.53 3h6x s VAL 111 Ca 0.68 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3h6x s VAL 111 Cb -0.60 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3h6x s VAL 111 CO 0.48 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 175.39 3h6x s VAL 112 N -0.14 3.68 -0.25 2.92 1.01 -1.26 -0.34 120.40 126.02 3h6x s VAL 112 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3h6x s VAL 112 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3h6x s VAL 112 CO 0.02 0.45 0.28 -0.76 0.00 0.00 0.00 175.10 175.10 3h6x s LEU 113 N 0.89 4.07 0.37 3.92 1.43 0.28 -4.98 118.68 124.66 3h6x s LEU 113 Ca -0.00 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 3h6x s LEU 113 Cb -0.15 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 3h6x s LEU 113 CO 0.01 -0.07 0.84 -1.61 0.23 0.00 0.00 176.35 175.75 3h6x s GLU 114 N 1.63 4.12 0.21 1.70 0.41 -1.26 -0.82 118.70 124.69 3h6x s GLU 114 Ca 0.12 0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 55.26 3h6x s GLU 114 Cb -0.15 -2.33 -0.15 0.00 -1.78 0.00 0.00 34.13 29.73 3h6x s GLU 114 CO 0.09 0.08 1.28 0.00 -0.49 0.00 0.00 175.26 176.21 3h6x n ALA 115 N -0.46 0.17 0.00 5.21 0.00 -1.26 -1.99 120.51 122.17 3h6x n ALA 115 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3h6x n ALA 115 Cb 0.53 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 2.08 2.55 3.75 0.00 0.00 0.64 -4.96 105.19 109.26 3h6x n GLY 116 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.70 4.31 0.22 1.61 2.02 -0.84 -4.64 118.70 120.67 3h6x s GLU 117 Ca 0.00 2.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.94 3h6x s GLU 117 Cb 0.00 -3.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 3h6x s GLU 117 CO 0.00 -0.32 1.16 1.03 0.02 0.00 0.00 175.26 177.15 3h6x s ARG 118 N -0.88 4.54 0.00 1.61 0.52 -1.26 -0.44 118.95 123.05 3h6x s ARG 118 Ca 0.55 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3h6x s ARG 118 Cb -0.40 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3h6x s ARG 118 CO 0.46 0.02 0.00 1.55 0.02 0.00 0.00 175.30 177.35 3h6x n VAL 119 N 2.00 0.00 -4.15 3.52 3.14 -0.26 -4.90 118.33 117.69 3h6x n VAL 119 Ca 0.02 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.30 3h6x n VAL 119 Cb 0.45 -0.46 -0.10 0.00 -1.06 0.00 0.00 33.84 32.67 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 -1.74 0.06 -0.06 1.55 -7.23 -1.22 -3.96 120.40 107.80 3h6x s VAL 120 Ca 0.00 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3h6x s VAL 120 Cb 0.00 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3h6x s VAL 120 CO 0.00 -0.28 -0.20 0.00 -0.31 0.00 0.00 175.10 174.31 3h6x s GLN 121 N -4.08 2.62 -0.14 4.82 -2.07 0.14 -1.16 119.66 119.79 3h6x s GLN 121 Ca 0.28 -0.80 -0.04 0.00 -1.82 0.00 0.00 55.36 52.99 3h6x s GLN 121 Cb 0.07 -2.30 -0.03 0.00 -1.09 0.00 0.00 33.01 29.66 3h6x s GLN 121 CO 0.05 0.46 -0.01 0.20 -1.32 0.00 0.00 175.29 174.67 3h6x s GLY 122 N -0.32 1.79 -0.08 2.60 0.00 0.90 -0.46 107.32 111.75 3h6x s GLY 122 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.96 3h6x s GLY 122 CO 0.02 -0.20 -0.18 0.14 0.00 0.00 0.00 173.10 172.89 3h6x s VAL 123 N -0.01 1.57 0.36 1.40 1.01 0.00 -0.43 120.40 124.31 3h6x s VAL 123 Ca 0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3h6x s VAL 123 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3h6x s VAL 123 CO 0.02 0.45 0.63 -0.36 0.00 0.00 0.00 175.10 175.84 3h6x s PHE 124 N 0.55 3.50 0.10 5.22 0.08 -1.26 -0.85 117.98 125.32 3h6x s PHE 124 Ca -0.16 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.55 3h6x s PHE 124 Cb -0.17 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3h6x s PHE 124 CO 0.06 0.02 0.16 -1.25 -0.10 0.00 0.00 175.22 174.11 3h6x s PRO 126 N -4.09 3.14 0.24 0.24 0.04 -1.26 -4.99 135.00 128.32 3h6x s PRO 126 Ca 0.44 -0.63 0.03 0.00 0.04 0.00 0.00 61.00 60.87 3h6x s PRO 126 Cb -0.10 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 3h6x s PRO 126 CO 0.35 0.56 0.03 -0.59 0.04 0.00 0.00 177.00 177.39 3h6x s PHE 127 N -1.55 1.55 0.19 0.56 -0.71 -0.33 -4.85 117.98 112.83 3h6x s PHE 127 Ca 0.32 -1.02 0.10 0.00 -1.04 0.00 0.00 56.93 55.29 3h6x s PHE 127 Cb -0.12 -0.91 -0.04 0.00 -1.21 0.00 0.00 43.02 40.73 3h6x s PHE 127 CO 0.25 -0.15 -0.21 -0.51 -1.34 0.00 0.00 175.22 173.26 3h6x s LEU 128 N -3.31 2.45 0.09 -1.99 1.43 -1.26 -4.81 118.68 111.28 3h6x s LEU 128 Ca 0.32 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3h6x s LEU 128 Cb 0.07 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3h6x s LEU 128 CO 0.10 0.04 0.09 -0.76 0.23 0.00 0.00 176.35 176.06 3h6x s LEU 129 N -2.74 3.82 0.77 1.79 1.43 -1.26 -5.11 118.68 117.38 3h6x s LEU 129 Ca 0.19 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3h6x s LEU 129 Cb -0.07 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.72 3h6x s LEU 129 CO 0.09 0.15 1.09 0.27 0.23 0.00 0.00 176.35 178.18 3h6x s ILE 130 N -1.45 3.24 0.23 -0.59 -4.36 -1.26 -4.97 121.20 112.04 3h6x s ILE 130 Ca 0.30 0.40 -0.32 0.00 -0.26 0.00 0.00 60.65 60.77 3h6x s ILE 130 Cb -0.12 -3.18 -0.13 0.00 1.25 0.00 0.00 42.46 40.28 3h6x s ILE 130 CO 0.22 -0.53 1.56 0.47 0.24 0.00 0.00 174.94 176.91 3h6x n ASP 131 N -3.34 3.41 0.00 4.36 8.00 -1.26 -5.36 116.55 122.35 3h6x n ASP 131 Ca 0.07 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.69 3h6x n ASP 131 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 3h6x n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42