#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2t s PRO 3 N -4.28 1.89 0.23 0.00 0.02 -1.26 -4.88 135.00 126.72 1x2t s PRO 3 Ca 0.53 1.55 -0.32 0.00 0.02 0.00 0.00 61.00 62.79 1x2t s PRO 3 Cb -0.10 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 1x2t s PRO 3 CO 0.37 -1.98 1.58 0.45 -0.33 0.00 0.00 177.00 177.09 1x2t n SER 4 N -3.29 3.46 0.00 2.53 2.88 -1.26 -1.34 113.62 116.60 1x2t n SER 4 Ca 0.12 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1x2t n SER 4 Cb 0.51 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1x2t n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2t n GLY 5 N 2.90 1.05 3.76 0.46 0.00 -1.26 -5.05 105.19 107.04 1x2t n GLY 5 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1x2t n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x2t s TRP 6 N -2.26 3.10 0.01 1.61 0.52 -0.45 -4.80 118.94 116.67 1x2t s TRP 6 Ca 0.00 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1x2t s TRP 6 Cb 0.00 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1x2t s TRP 6 CO 0.00 0.51 -0.04 -1.12 0.02 0.00 0.00 176.95 176.32 1x2t s SER 7 N -2.66 4.80 -0.03 2.95 0.01 0.10 -4.77 113.70 114.12 1x2t s SER 7 Ca 0.29 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1x2t s SER 7 Cb -0.11 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1x2t s SER 7 CO 0.21 0.28 0.10 -0.55 0.41 0.00 0.00 173.24 173.70 1x2t s SER 8 N -1.50 5.88 -0.26 2.44 0.15 -1.26 -0.17 113.70 118.98 1x2t s SER 8 Ca 0.18 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 1x2t s SER 8 Cb -0.11 -1.75 0.09 0.00 -1.71 0.00 0.00 66.02 62.54 1x2t s SER 8 CO 0.09 0.30 0.61 -0.47 1.20 0.00 0.00 173.24 174.96 1x2t s TYR 9 N -1.18 -1.04 -1.52 3.44 5.04 -0.72 -4.95 117.35 116.42 1x2t s TYR 9 Ca 0.22 2.00 -0.15 0.00 -2.44 0.00 0.00 57.07 56.70 1x2t s TYR 9 Cb -0.12 0.59 0.13 0.00 0.35 0.00 0.00 41.96 42.91 1x2t s TYR 9 CO 0.13 -0.53 0.68 0.39 -1.34 0.00 0.00 175.55 174.88 1x2t n GLU 10 N 4.73 -3.32 -0.24 4.97 -0.58 -1.26 -0.76 120.64 124.18 1x2t n GLU 10 Ca -0.17 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1x2t n GLU 10 Cb 0.55 -5.13 0.00 0.00 -0.57 0.00 0.00 31.44 26.29 1x2t n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x2t n GLY 11 N -1.30 1.77 3.89 0.62 0.00 -1.26 -5.03 105.19 103.87 1x2t n GLY 11 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1x2t n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x2t s HIS 12 N -2.98 2.91 -0.07 1.61 3.76 0.06 -5.09 115.29 115.50 1x2t s HIS 12 Ca 0.00 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1x2t s HIS 12 Cb 0.00 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 1x2t s HIS 12 CO 0.00 0.09 -0.21 0.00 -0.85 0.00 0.00 174.74 173.77 1x2t s TYR 14 N -0.22 1.50 -0.14 0.00 1.51 0.76 -1.32 117.35 119.44 1x2t s TYR 14 Ca -0.01 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1x2t s TYR 14 Cb -0.13 -0.85 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1x2t s TYR 14 CO 0.03 0.11 0.29 0.21 -1.11 0.00 0.00 175.55 175.08 1x2t s LYS 15 N -1.62 0.20 0.29 -0.62 2.20 -0.38 0.02 119.74 119.83 1x2t s LYS 15 Ca 0.03 0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 56.16 1x2t s LYS 15 Cb -0.09 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.13 1x2t s LYS 15 CO 0.03 -0.25 0.83 -1.25 -0.36 0.00 0.00 175.35 174.35 1x2t s PRO 16 N 2.13 4.34 -0.07 4.03 0.04 -1.26 -1.00 135.00 143.20 1x2t s PRO 16 Ca -0.02 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 1x2t s PRO 16 Cb -0.11 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.72 1x2t s PRO 16 CO -0.09 0.28 -0.04 -0.06 0.04 0.00 0.00 177.00 177.13 1x2t s PHE 17 N -1.68 0.96 -1.16 0.56 0.08 0.07 -4.97 117.98 111.83 1x2t s PHE 17 Ca 0.49 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1x2t s PHE 17 Cb -0.16 -0.89 0.16 0.00 -0.57 0.00 0.00 43.02 41.57 1x2t s PHE 17 CO 0.21 -0.33 2.29 1.63 -0.10 0.00 0.00 175.22 178.92 1x2t n LYS 18 N 4.66 4.53 -5.28 0.44 5.02 -1.26 -2.25 118.16 124.03 1x2t n LYS 18 Ca -0.15 -3.62 -0.31 0.00 -2.02 0.00 0.00 58.31 52.21 1x2t n LYS 18 Cb 0.50 -2.54 -0.16 0.00 -0.02 0.00 0.00 35.03 32.81 1x2t n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x2t s LEU 19 N -2.68 2.09 -0.46 -0.35 1.43 -1.26 -5.00 118.68 112.45 1x2t s LEU 19 Ca 0.51 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 1x2t s LEU 19 Cb 0.21 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 45.11 1x2t s LEU 19 CO -0.12 0.30 0.56 -0.31 0.23 0.00 0.00 176.35 177.01 1x2t s TYR 20 N -0.51 3.10 0.08 0.29 2.02 -1.26 -3.02 117.35 118.04 1x2t s TYR 20 Ca 0.07 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1x2t s TYR 20 Cb -0.11 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1x2t s TYR 20 CO 0.00 -0.87 -0.06 0.15 -1.57 0.00 0.00 175.55 173.20 1x2t s LYS 21 N 2.50 0.73 0.84 -0.62 1.02 -0.99 -4.72 119.74 118.50 1x2t s LYS 21 Ca 0.16 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.85 1x2t s LYS 21 Cb -0.17 -0.16 0.10 0.00 -0.52 0.00 0.00 37.83 37.08 1x2t s LYS 21 CO 0.14 -0.02 1.10 0.95 -0.92 0.00 0.00 175.35 176.61 1x2t s THR 22 N -3.15 2.79 0.18 2.17 -4.23 -1.24 -0.82 115.64 111.33 1x2t s THR 22 Ca 0.06 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 1x2t s THR 22 Cb 0.02 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1x2t s THR 22 CO -0.04 -0.33 1.76 -0.25 -0.54 0.00 0.00 174.62 175.21 1x2t h TRP 23 N -1.27 0.35 -0.41 3.99 7.01 -1.67 0.13 115.95 124.08 1x2t h TRP 23 Ca -0.48 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.58 1x2t h TRP 23 Cb 1.28 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.22 1x2t h TRP 23 CO 0.42 0.14 0.19 -0.44 -2.79 0.00 0.00 178.44 175.96 1x2t h ASP 24 N 0.39 0.27 0.19 2.65 3.32 -1.92 -0.31 116.42 121.01 1x2t h ASP 24 Ca 0.23 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1x2t h ASP 24 Cb 0.21 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1x2t h ASP 24 CO -0.21 0.20 -0.44 0.44 -1.72 0.00 0.00 179.24 177.51 1x2t h ASP 25 N 0.39 0.32 -0.28 6.45 3.32 -1.82 -2.14 116.42 122.66 1x2t h ASP 25 Ca 0.18 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1x2t h ASP 25 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1x2t h ASP 25 CO -0.14 0.72 -0.03 0.00 -1.72 0.00 0.00 179.24 178.08 1x2t h ALA 26 N 1.29 0.38 -0.24 3.45 0.00 -0.50 -0.18 119.26 123.46 1x2t h ALA 26 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1x2t h ALA 26 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x2t h ALA 26 CO 0.07 0.15 0.11 1.49 0.00 0.00 0.00 179.25 181.07 1x2t h GLU 27 N 0.29 0.36 -0.37 0.00 4.57 -1.00 -0.75 114.58 117.68 1x2t h GLU 27 Ca 0.08 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1x2t h GLU 27 Cb 0.48 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1x2t h GLU 27 CO 0.02 0.38 0.22 -0.09 -1.18 0.00 0.00 179.01 178.36 1x2t h ARG 28 N 0.25 0.44 -0.52 1.92 2.43 -1.33 -1.68 114.38 115.89 1x2t h ARG 28 Ca 0.08 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1x2t h ARG 28 Cb 0.15 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1x2t h ARG 28 CO -0.01 0.29 0.17 0.35 -1.51 0.00 0.00 179.97 179.26 1x2t h PHE 29 N 0.45 0.29 -0.63 2.20 3.57 -0.82 -2.12 116.94 119.88 1x2t h PHE 29 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1x2t h PHE 29 Cb -0.01 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1x2t h PHE 29 CO -0.07 0.07 0.29 0.00 -2.23 0.00 0.00 178.31 176.37 1x2t h THR 31 N 0.90 0.04 -0.03 0.00 1.35 -0.64 -2.00 112.91 112.53 1x2t h THR 31 Ca 0.22 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1x2t h THR 31 Cb 0.12 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1x2t h THR 31 CO -0.03 0.01 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.55 1x2t n GLU 32 N -3.13 2.09 0.09 4.72 1.02 -0.69 -4.27 120.64 120.47 1x2t n GLU 32 Ca -0.01 -1.74 0.08 0.00 -0.02 0.00 0.00 57.16 55.47 1x2t n GLU 32 Cb 0.18 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1x2t n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1x2t h GLN 33 N 4.23 0.00 -1.94 3.49 1.08 -0.92 -3.48 115.11 117.57 1x2t h GLN 33 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1x2t h GLN 33 Cb 0.94 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.18 1x2t h GLN 33 CO 0.00 0.09 0.35 0.00 -0.95 0.00 0.00 178.83 178.32 1x2t s ALA 34 N -3.23 -1.82 0.05 3.87 0.00 -1.24 -5.05 121.76 114.34 1x2t s ALA 34 Ca -0.01 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1x2t s ALA 34 Cb 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.98 1x2t s ALA 34 CO 0.79 -0.41 1.62 0.21 0.00 0.00 0.00 175.76 177.97 1x2t s LYS 35 N -1.53 4.21 0.00 0.00 2.20 -1.26 -0.90 119.74 122.46 1x2t s LYS 35 Ca -0.05 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1x2t s LYS 35 Cb -0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1x2t s LYS 35 CO 0.03 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1x2t n GLY 36 N 3.96 0.55 3.79 5.54 0.00 -1.26 -4.96 105.19 112.80 1x2t n GLY 36 Ca 0.16 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1x2t n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x2t s GLY 37 N -2.24 2.64 0.27 -0.02 0.00 -0.07 -4.68 107.32 103.22 1x2t s GLY 37 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 1x2t s GLY 37 CO 0.00 1.10 0.60 0.30 0.00 0.00 0.00 173.10 175.10 1x2t s HIS 38 N -1.78 0.13 0.61 1.90 3.76 -0.65 -3.18 115.29 116.07 1x2t s HIS 38 Ca 0.64 -0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 54.81 1x2t s HIS 38 Cb -0.21 0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.90 1x2t s HIS 38 CO 0.25 -1.15 1.20 -0.51 -0.85 0.00 0.00 174.74 173.69 1x2t s LEU 39 N -2.99 3.63 0.29 0.89 1.43 -1.26 -0.41 118.68 120.26 1x2t s LEU 39 Ca 0.17 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.35 1x2t s LEU 39 Cb -0.03 -4.60 -0.13 0.00 0.03 0.00 0.00 46.19 41.47 1x2t s LEU 39 CO 0.09 -1.65 1.40 0.55 0.23 0.00 0.00 176.35 176.97 1x2t n VAL 40 N -1.71 1.41 -4.44 -1.59 3.14 0.04 -4.28 118.33 110.89 1x2t n VAL 40 Ca 0.13 -0.35 -0.34 0.00 -2.96 0.00 0.00 64.34 60.83 1x2t n VAL 40 Cb 0.50 -1.62 -0.12 0.00 -1.06 0.00 0.00 33.84 31.53 1x2t n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x2t s SER 41 N 0.08 4.73 -0.53 6.55 1.04 -1.26 -0.28 113.70 124.03 1x2t s SER 41 Ca 0.62 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1x2t s SER 41 Cb -0.58 -1.75 0.14 0.00 0.10 0.00 0.00 66.02 63.92 1x2t s SER 41 CO 0.55 0.18 0.36 -0.63 0.98 0.00 0.00 173.24 174.67 1x2t s ILE 42 N 0.32 3.82 -2.55 -1.02 1.01 -1.26 -4.93 121.20 116.58 1x2t s ILE 42 Ca -0.04 -2.32 0.23 0.00 0.00 0.00 0.00 60.65 58.52 1x2t s ILE 42 Cb -0.14 -3.52 0.40 0.00 0.01 0.00 0.00 42.46 39.20 1x2t s ILE 42 CO 0.03 -0.80 1.39 -0.62 0.00 0.00 0.00 174.94 174.94 1x2t n GLU 43 N 4.26 2.49 -3.63 2.79 1.02 -1.26 -4.95 120.64 121.35 1x2t n GLU 43 Ca 0.01 -2.24 -0.08 0.00 -0.02 0.00 0.00 57.16 54.83 1x2t n GLU 43 Cb 0.40 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 1x2t n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1x2t s SER 44 N -1.56 -0.36 0.24 1.62 1.04 -1.26 -5.01 113.70 108.41 1x2t s SER 44 Ca 0.38 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.49 1x2t s SER 44 Cb 0.23 0.58 0.24 0.00 0.10 0.00 0.00 66.02 67.16 1x2t s SER 44 CO 0.32 -1.00 1.83 0.00 0.98 0.00 0.00 173.24 175.36 1x2t h ALA 45 N 2.00 1.14 -0.72 5.32 0.00 -1.99 -0.49 119.26 124.53 1x2t h ALA 45 Ca -0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1x2t h ALA 45 Cb 1.26 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1x2t h ALA 45 CO 0.30 0.64 0.40 0.78 0.00 0.00 0.00 179.25 181.36 1x2t h GLY 46 N 1.16 1.07 1.52 0.00 0.00 -1.99 -0.13 103.07 104.70 1x2t h GLY 46 Ca 0.27 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1x2t h GLY 46 CO -0.03 0.46 -0.39 -2.09 0.00 0.00 0.00 176.54 174.49 1x2t h GLU 47 N 0.99 0.53 -0.58 4.80 4.81 -1.86 -2.06 114.58 121.21 1x2t h GLU 47 Ca 0.25 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1x2t h GLU 47 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1x2t h GLU 47 CO -0.04 0.84 0.31 0.00 -0.73 0.00 0.00 179.01 179.39 1x2t h ALA 48 N 1.14 0.75 -0.53 2.92 0.00 -0.35 -0.56 119.26 122.62 1x2t h ALA 48 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1x2t h ALA 48 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1x2t h ALA 48 CO 0.07 0.28 -0.09 -0.44 0.00 0.00 0.00 179.25 179.07 1x2t h ASP 49 N 0.79 0.98 0.04 0.00 3.32 -0.89 -0.46 116.42 120.21 1x2t h ASP 49 Ca 0.20 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1x2t h ASP 49 Cb 0.06 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1x2t h ASP 49 CO -0.03 1.09 -0.02 0.15 -1.72 0.00 0.00 179.24 178.70 1x2t h PHE 50 N 0.88 -0.05 -0.82 4.55 3.57 -1.11 -2.29 116.94 121.67 1x2t h PHE 50 Ca 0.14 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1x2t h PHE 50 Cb 0.64 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1x2t h PHE 50 CO 0.04 0.13 0.38 0.28 -2.23 0.00 0.00 178.31 176.92 1x2t h VAL 51 N -0.24 1.25 -0.76 1.41 2.07 -1.03 -0.11 116.25 118.85 1x2t h VAL 51 Ca -0.01 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1x2t h VAL 51 Cb 0.21 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1x2t h VAL 51 CO 0.01 0.31 0.50 0.00 0.02 0.00 0.00 177.57 178.41 1x2t h ALA 52 N 1.25 0.98 -0.30 1.67 0.00 -0.99 0.44 119.26 122.31 1x2t h ALA 52 Ca 0.28 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1x2t h ALA 52 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1x2t h ALA 52 CO -0.03 0.36 -0.42 0.37 0.00 0.00 0.00 179.25 179.52 1x2t h GLN 53 N 1.01 0.81 -0.48 0.00 4.15 -1.01 -0.40 115.11 119.19 1x2t h GLN 53 Ca 0.29 -0.48 0.01 0.00 0.77 0.00 0.00 58.65 59.24 1x2t h GLN 53 Cb -0.09 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1x2t h GLN 53 CO -0.07 1.11 0.30 1.25 -1.93 0.00 0.00 178.83 179.49 1x2t h LEU 54 N 0.58 0.51 -0.18 -2.39 5.85 -0.62 -1.02 115.31 118.03 1x2t h LEU 54 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1x2t h LEU 54 Cb 1.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1x2t h LEU 54 CO 0.10 0.36 -0.04 0.58 -0.34 0.00 0.00 178.44 179.10 1x2t h VAL 55 N 0.61 1.29 -0.91 1.05 2.07 -0.86 -0.51 116.25 118.99 1x2t h VAL 55 Ca 0.18 -1.01 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1x2t h VAL 55 Cb -0.03 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1x2t h VAL 55 CO -0.06 0.30 0.53 0.74 0.02 0.00 0.00 177.57 179.10 1x2t h THR 56 N 0.06 0.86 0.00 2.57 2.02 -0.81 0.01 112.91 117.62 1x2t h THR 56 Ca 0.05 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1x2t h THR 56 Cb 0.48 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1x2t h THR 56 CO 0.02 0.15 -0.69 -0.33 0.37 0.00 0.00 175.52 175.04 1x2t h GLU 57 N 0.83 0.00 0.00 6.66 5.08 -1.09 -3.41 114.58 122.65 1x2t h GLU 57 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1x2t h GLU 57 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x2t h GLU 57 CO -0.28 0.20 -0.45 0.09 -1.00 0.00 0.00 179.01 177.56 1x2t n ASN 58 N -2.98 1.34 -3.87 1.42 3.02 -0.21 -4.81 115.26 109.17 1x2t n ASN 58 Ca -0.00 -0.41 -0.28 0.00 -0.03 0.00 0.00 54.58 53.85 1x2t n ASN 58 Cb 0.66 1.05 -0.12 0.00 -0.61 0.00 0.00 39.78 40.75 1x2t n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1x2t s ILE 59 N -1.59 2.68 0.23 2.41 1.01 -0.05 -4.86 121.20 121.03 1x2t s ILE 59 Ca 0.01 -4.05 0.07 0.00 0.00 0.00 0.00 60.65 56.67 1x2t s ILE 59 Cb 0.02 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1x2t s ILE 59 CO 0.14 -1.00 0.15 -1.10 0.00 0.00 0.00 174.94 173.13 1x2t s GLN 60 N -1.21 2.82 -1.25 2.79 -0.21 -1.26 -4.66 119.66 116.68 1x2t s GLN 60 Ca 0.24 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1x2t s GLN 60 Cb -0.07 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.42 1x2t s GLN 60 CO -0.15 0.42 0.00 0.09 -2.12 0.00 0.00 175.29 173.53 1x2t n ASN 61 N -0.86 -4.09 0.02 5.90 3.02 -1.26 -4.84 115.26 113.15 1x2t n ASN 61 Ca -0.08 0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.78 1x2t n ASN 61 Cb 0.57 -3.53 -0.07 0.00 -0.61 0.00 0.00 39.78 36.14 1x2t n ASN 61 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1x2t n THR 62 N -3.10 0.13 -4.13 3.41 -2.24 -1.26 -4.98 114.28 102.11 1x2t n THR 62 Ca -0.16 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1x2t n THR 62 Cb 0.58 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1x2t n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x2t n LYS 63 N -2.06 -3.41 -4.09 -0.78 5.02 -1.26 -4.93 118.16 106.66 1x2t n LYS 63 Ca 0.00 0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 56.52 1x2t n LYS 63 Cb 0.48 -4.97 -0.06 0.00 -0.02 0.00 0.00 35.03 30.46 1x2t n LYS 63 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x2t n SER 64 N -2.76 -0.97 -4.93 4.39 7.64 -1.26 -5.16 113.62 110.56 1x2t n SER 64 Ca -0.03 -3.03 -0.24 0.00 1.01 0.00 0.00 58.87 56.57 1x2t n SER 64 Cb 0.55 2.01 0.06 0.00 -1.01 0.00 0.00 64.21 65.82 1x2t n SER 64 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1x2t s TYR 65 N -3.16 2.88 -0.15 1.43 2.02 -1.26 -4.68 117.35 114.43 1x2t s TYR 65 Ca 0.35 0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1x2t s TYR 65 Cb 0.01 -3.08 0.03 0.00 -0.40 0.00 0.00 41.96 38.52 1x2t s TYR 65 CO 0.25 -1.28 -0.09 0.08 -1.57 0.00 0.00 175.55 172.94 1x2t s VAL 66 N -3.12 1.26 0.48 0.71 1.01 -0.27 -3.63 120.40 116.85 1x2t s VAL 66 Ca 0.60 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1x2t s VAL 66 Cb -0.11 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.90 1x2t s VAL 66 CO 0.43 0.30 1.38 0.79 0.00 0.00 0.00 175.10 178.00 1x2t n TRP 67 N 4.85 2.47 -4.41 5.22 5.03 -0.72 -0.26 117.44 129.61 1x2t n TRP 67 Ca -0.14 0.44 -0.21 0.00 3.03 0.00 0.00 57.50 60.63 1x2t n TRP 67 Cb 0.49 -2.41 -0.10 0.00 -1.03 0.00 0.00 31.31 28.25 1x2t n TRP 67 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 1x2t s ILE 68 N -1.23 1.87 -2.00 -0.99 -4.36 -1.07 -3.93 121.20 109.49 1x2t s ILE 68 Ca 0.65 -2.21 0.17 0.00 -0.26 0.00 0.00 60.65 59.00 1x2t s ILE 68 Cb -0.44 -2.29 0.49 0.00 1.25 0.00 0.00 42.46 41.47 1x2t s ILE 68 CO 0.54 -0.42 1.56 0.61 0.24 0.00 0.00 174.94 177.47 1x2t n GLY 69 N -0.53 -0.84 3.66 6.27 0.00 0.61 -4.71 105.19 109.65 1x2t n GLY 69 Ca -0.06 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1x2t n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x2t s LEU 70 N -1.65 4.14 0.25 0.99 2.96 -1.26 -4.99 118.68 119.12 1x2t s LEU 70 Ca 0.26 0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 54.52 1x2t s LEU 70 Cb 0.12 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 44.25 1x2t s LEU 70 CO 0.20 -0.13 0.67 0.00 -1.32 0.00 0.00 176.35 175.77 1x2t s ARG 71 N 1.53 1.67 -0.07 1.98 1.70 -1.26 -3.53 118.95 120.97 1x2t s ARG 71 Ca 0.21 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 1x2t s ARG 71 Cb -0.15 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1x2t s ARG 71 CO 0.09 -0.75 1.19 0.08 -1.08 0.00 0.00 175.30 174.83 1x2t s VAL 72 N -3.90 4.29 0.04 4.99 1.01 -0.76 -4.95 120.40 121.12 1x2t s VAL 72 Ca 0.10 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.54 1x2t s VAL 72 Cb -0.05 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1x2t s VAL 72 CO 0.04 -0.01 1.24 -0.61 0.00 0.00 0.00 175.10 175.75 1x2t h GLN 73 N 7.49 -0.32 -7.31 2.72 5.75 -2.00 -3.43 115.11 118.00 1x2t h GLN 73 Ca -0.33 0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 57.69 1x2t h GLN 73 Cb 1.16 0.07 0.15 0.00 1.07 0.00 0.00 27.48 29.92 1x2t h GLN 73 CO 0.89 -0.22 0.28 0.20 -2.65 0.00 0.00 178.83 177.33 1x2t s GLY 74 N -1.51 1.65 -0.29 2.39 0.00 -1.26 -4.96 107.32 103.34 1x2t s GLY 74 Ca -0.07 0.16 0.10 0.00 0.00 0.00 0.00 44.72 44.91 1x2t s GLY 74 CO 0.26 0.57 1.75 0.28 0.00 0.00 0.00 173.10 175.96 1x2t n LYS 75 N -3.76 3.87 -1.82 2.90 4.01 -1.26 -4.99 118.16 117.11 1x2t n LYS 75 Ca 0.08 -2.94 -0.36 0.00 -0.51 0.00 0.00 58.31 54.58 1x2t n LYS 75 Cb 0.54 -2.19 0.06 0.00 -0.51 0.00 0.00 35.03 32.92 1x2t n LYS 75 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1x2t s GLU 76 N -2.82 2.68 0.26 1.97 8.01 -1.26 -4.91 118.70 122.63 1x2t s GLU 76 Ca 0.52 1.89 0.08 0.00 0.01 0.00 0.00 54.97 57.48 1x2t s GLU 76 Cb 0.41 -1.88 0.32 0.00 -4.31 0.00 0.00 34.13 28.67 1x2t s GLU 76 CO 0.13 -1.45 1.59 0.87 0.01 0.00 0.00 175.26 176.42 1x2t h LYS 77 N 0.55 0.09 -3.26 1.61 1.79 -1.98 -3.46 116.57 111.91 1x2t h LYS 77 Ca -0.50 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 57.85 1x2t h LYS 77 Cb 1.31 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.83 1x2t h LYS 77 CO 0.53 0.67 -0.06 1.14 -1.08 0.00 0.00 179.45 180.66 1x2t s GLN 78 N -3.67 1.05 0.00 3.15 1.03 -1.26 -4.79 119.66 115.16 1x2t s GLN 78 Ca -0.02 -0.59 0.07 0.00 0.04 0.00 0.00 55.36 54.86 1x2t s GLN 78 Cb 0.12 0.46 0.08 0.00 0.03 0.00 0.00 33.01 33.70 1x2t s GLN 78 CO 0.78 -0.40 0.79 0.00 -2.54 0.00 0.00 175.29 173.92 1x2t s SER 80 N -0.65 6.20 -1.28 0.00 1.04 -1.26 -4.96 113.70 112.78 1x2t s SER 80 Ca 0.09 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 1x2t s SER 80 Cb 0.06 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.88 1x2t s SER 80 CO 0.09 -1.06 2.74 -0.24 0.98 0.00 0.00 173.24 175.74 1x2t n SER 81 N 6.38 8.01 0.00 7.02 2.88 -1.26 -4.85 113.62 131.80 1x2t n SER 81 Ca -0.08 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 1x2t n SER 81 Cb 0.44 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1x2t n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x2t n GLU 82 N 2.43 0.00 -1.70 -1.46 2.13 -1.26 -4.46 120.64 116.32 1x2t n GLU 82 Ca 0.66 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.20 1x2t n GLU 82 Cb 0.31 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.14 1x2t n GLU 82 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1x2t s TRP 83 N 0.00 2.72 -0.10 4.31 0.52 0.37 -4.93 118.94 121.82 1x2t s TRP 83 Ca 0.00 0.81 0.30 0.00 0.02 0.00 0.00 56.10 57.24 1x2t s TRP 83 Cb 0.00 -3.43 1.24 0.00 -1.15 0.00 0.00 33.47 30.13 1x2t s TRP 83 CO 0.00 -2.09 1.89 0.66 0.02 0.00 0.00 176.95 177.43 1x2t h SER 84 N -1.29 0.00 0.19 2.95 4.64 -2.02 -1.84 113.55 116.18 1x2t h SER 84 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1x2t h SER 84 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1x2t h SER 84 CO 0.64 0.00 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.68 1x2t n ASP 85 N -2.79 0.26 0.00 4.97 5.68 -1.26 -4.91 116.55 118.50 1x2t n ASP 85 Ca 0.01 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.51 1x2t n ASP 85 Cb 0.28 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1x2t n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x2t n GLY 86 N 1.13 3.39 3.76 6.12 0.00 -0.69 -5.07 105.19 113.83 1x2t n GLY 86 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1x2t n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2t s SER 87 N -0.57 4.53 0.77 1.61 1.04 -1.26 -4.67 113.70 115.14 1x2t s SER 87 Ca 0.00 1.97 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 1x2t s SER 87 Cb 0.00 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1x2t s SER 87 CO 0.00 -2.02 1.10 -0.94 0.98 0.00 0.00 173.24 172.36 1x2t s SER 88 N -2.91 4.47 -0.46 7.02 1.04 -1.26 -0.48 113.70 121.12 1x2t s SER 88 Ca 0.65 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.43 1x2t s SER 88 Cb -0.20 -0.97 0.10 0.00 0.10 0.00 0.00 66.02 65.05 1x2t s SER 88 CO 0.50 -1.85 0.34 -0.69 0.98 0.00 0.00 173.24 172.52 1x2t s VAL 89 N -3.41 4.48 -0.04 5.02 1.01 -1.26 -4.70 120.40 121.49 1x2t s VAL 89 Ca 0.63 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1x2t s VAL 89 Cb -0.10 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.55 1x2t s VAL 89 CO 0.47 -0.67 1.05 -1.54 0.00 0.00 0.00 175.10 174.41 1x2t n SER 90 N 4.99 2.09 -3.71 3.32 3.41 -1.26 -4.96 113.62 117.51 1x2t n SER 90 Ca -0.10 -2.35 -0.12 0.00 -0.26 0.00 0.00 58.87 56.05 1x2t n SER 90 Cb 0.42 -0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 1x2t n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x2t s TYR 91 N -1.60 -0.45 0.04 7.33 5.04 -1.26 -5.17 117.35 121.28 1x2t s TYR 91 Ca 0.10 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 1x2t s TYR 91 Cb 0.09 0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.52 1x2t s TYR 91 CO 0.01 -0.29 0.05 -1.21 -1.34 0.00 0.00 175.55 172.77 1x2t s GLU 92 N 1.39 0.54 -0.37 4.97 2.02 -1.26 -5.08 118.70 120.91 1x2t s GLU 92 Ca -0.09 -0.83 0.13 0.00 0.02 0.00 0.00 54.97 54.20 1x2t s GLU 92 Cb -0.10 0.20 0.41 0.00 0.10 0.00 0.00 34.13 34.74 1x2t s GLU 92 CO -0.10 -0.12 1.10 -1.71 0.02 0.00 0.00 175.26 174.45 1x2t n ASN 93 N 0.78 -0.32 -4.77 -0.19 5.15 -1.26 -5.13 115.26 109.52 1x2t n ASN 93 Ca -0.19 -2.75 -0.37 0.00 -0.60 0.00 0.00 54.58 50.67 1x2t n ASN 93 Cb 0.58 0.32 -0.01 0.00 -0.53 0.00 0.00 39.78 40.14 1x2t n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1x2t s TRP 94 N -1.40 2.90 -0.02 1.20 0.52 -1.26 -5.00 118.94 115.88 1x2t s TRP 94 Ca 0.26 1.54 -0.26 0.00 0.02 0.00 0.00 56.10 57.66 1x2t s TRP 94 Cb 0.41 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 1x2t s TRP 94 CO -0.03 -1.46 0.82 0.42 0.02 0.00 0.00 176.95 176.72 1x2t s ILE 95 N -1.54 4.91 0.18 2.03 1.01 -1.26 -4.94 121.20 121.59 1x2t s ILE 95 Ca 0.63 1.72 -0.15 0.00 0.00 0.00 0.00 60.65 62.85 1x2t s ILE 95 Cb -0.28 -4.16 0.13 0.00 0.01 0.00 0.00 42.46 38.15 1x2t s ILE 95 CO 0.35 0.24 1.67 -0.33 0.00 0.00 0.00 174.94 176.86 1x2t h GLU 96 N 6.56 0.03 0.00 2.79 4.39 -1.95 -0.46 114.58 125.93 1x2t h GLU 96 Ca -0.42 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1x2t h GLU 96 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1x2t h GLU 96 CO 0.74 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 178.62 1x2t n ALA 97 N -2.75 1.03 0.66 3.43 0.00 -1.26 -1.28 120.51 120.34 1x2t n ALA 97 Ca 0.04 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1x2t n ALA 97 Cb 0.25 -1.26 0.21 0.00 0.00 0.00 0.00 19.45 18.66 1x2t n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x2t n GLU 98 N -2.12 0.23 -3.03 0.00 -0.58 -0.18 -4.41 120.64 110.55 1x2t n GLU 98 Ca -0.01 0.07 -0.44 0.00 -0.42 0.00 0.00 57.16 56.36 1x2t n GLU 98 Cb 0.03 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 1x2t n GLU 98 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x2t s SER 99 N -4.00 6.19 -1.01 1.62 0.15 -0.40 -4.97 113.70 111.27 1x2t s SER 99 Ca 0.07 -1.22 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 1x2t s SER 99 Cb 0.14 -2.34 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 1x2t s SER 99 CO 0.71 -1.20 0.98 -0.54 1.20 0.00 0.00 173.24 174.38 1x2t s LYS 100 N 3.15 3.91 -0.13 5.44 1.02 -1.26 -4.45 119.74 127.41 1x2t s LYS 100 Ca 0.16 -3.06 0.17 0.00 0.02 0.00 0.00 55.97 53.26 1x2t s LYS 100 Cb -0.21 -4.42 0.68 0.00 -0.52 0.00 0.00 37.83 33.36 1x2t s LYS 100 CO 0.08 -1.25 1.59 0.25 -0.92 0.00 0.00 175.35 175.11 1x2t n THR 101 N 2.93 1.99 -4.64 2.17 -2.24 -1.19 -4.15 114.28 109.15 1x2t n THR 101 Ca 0.21 -1.31 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 1x2t n THR 101 Cb 0.40 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1x2t n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2t s LEU 103 N -3.73 2.15 0.13 0.00 1.43 -1.23 -0.98 118.68 116.45 1x2t s LEU 103 Ca 0.31 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 1x2t s LEU 103 Cb 0.09 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1x2t s LEU 103 CO 0.16 -0.05 0.23 -0.83 0.23 0.00 0.00 176.35 176.09 1x2t s GLY 104 N -1.00 0.29 0.22 -3.19 0.00 -0.65 -2.59 107.32 100.41 1x2t s GLY 104 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1x2t s GLY 104 CO 0.00 -0.83 0.46 1.08 0.00 0.00 0.00 173.10 173.82 1x2t s LEU 105 N -2.92 4.17 0.01 0.66 1.43 0.63 -0.82 118.68 121.85 1x2t s LEU 105 Ca 0.11 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1x2t s LEU 105 Cb 0.04 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 1x2t s LEU 105 CO -0.06 -0.07 -0.04 -1.83 0.23 0.00 0.00 176.35 174.58 1x2t s GLU 106 N -3.16 0.34 0.28 1.70 -1.05 -1.26 -1.11 118.70 114.44 1x2t s GLU 106 Ca 0.42 -0.30 0.01 0.00 -0.15 0.00 0.00 54.97 54.94 1x2t s GLU 106 Cb -0.11 -0.25 0.52 0.00 -0.44 0.00 0.00 34.13 33.86 1x2t s GLU 106 CO 0.27 0.06 1.84 -0.22 0.95 0.00 0.00 175.26 178.17 1x2t h LYS 107 N 5.60 1.00 -0.28 -4.83 3.64 -1.93 0.93 116.57 120.69 1x2t h LYS 107 Ca -0.29 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1x2t h LYS 107 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1x2t h LYS 107 CO 0.48 0.66 0.22 0.93 -2.27 0.00 0.00 179.45 179.47 1x2t h GLU 108 N 1.03 0.00 -0.37 1.90 3.07 -1.98 -1.01 114.58 117.22 1x2t h GLU 108 Ca 0.49 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.15 1x2t h GLU 108 Cb 0.43 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.22 1x2t h GLU 108 CO -0.25 0.00 -0.10 0.25 -1.40 0.00 0.00 179.01 177.51 1x2t n THR 109 N -4.32 2.58 -1.87 1.13 -2.24 -0.82 -4.95 114.28 103.79 1x2t n THR 109 Ca 0.04 -2.83 -0.21 0.00 -2.27 0.00 0.00 64.05 58.78 1x2t n THR 109 Cb 0.38 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 1x2t n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x2t n GLY 110 N -1.12 1.16 2.42 3.38 0.00 -0.38 -2.13 105.19 108.52 1x2t n GLY 110 Ca 0.34 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 1x2t n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x2t n PHE 111 N -2.94 -1.22 0.20 1.61 3.72 0.26 -4.81 117.46 114.28 1x2t n PHE 111 Ca -0.22 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.21 1x2t n PHE 111 Cb 0.68 -3.29 -0.05 0.00 -0.94 0.00 0.00 39.48 35.89 1x2t n PHE 111 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1x2t n ARG 112 N -2.89 2.87 -4.41 -1.08 3.00 -0.90 -4.06 116.66 109.19 1x2t n ARG 112 Ca -0.19 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.85 57.34 1x2t n ARG 112 Cb 0.64 -0.97 -0.12 0.00 0.00 0.00 0.00 32.46 32.01 1x2t n ARG 112 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x2t s LYS 113 N -2.01 1.77 -0.35 -0.14 -0.14 -1.25 -5.01 119.74 112.61 1x2t s LYS 113 Ca 0.01 -1.17 -0.22 0.00 -1.36 0.00 0.00 55.97 53.22 1x2t s LYS 113 Cb 0.05 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 1x2t s LYS 113 CO 0.30 0.49 0.74 -1.58 -0.76 0.00 0.00 175.35 174.54 1x2t s TRP 114 N -1.08 3.14 -0.16 3.18 0.51 -1.26 -4.34 118.94 118.93 1x2t s TRP 114 Ca 0.16 0.53 -0.08 0.00 -2.12 0.00 0.00 56.10 54.60 1x2t s TRP 114 Cb -0.10 -3.29 -0.04 0.00 -0.81 0.00 0.00 33.47 29.22 1x2t s TRP 114 CO 0.08 -0.67 0.13 0.08 -0.51 0.00 0.00 176.95 176.06 1x2t s VAL 115 N 2.96 5.43 -0.05 4.03 1.01 -0.00 -4.87 120.40 128.90 1x2t s VAL 115 Ca 0.29 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1x2t s VAL 115 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1x2t s VAL 115 CO 0.16 0.53 1.38 0.20 0.00 0.00 0.00 175.10 177.36 1x2t s ASN 116 N -0.34 6.87 0.07 3.32 -0.87 -1.26 -1.63 114.94 121.09 1x2t s ASN 116 Ca 0.11 1.99 -0.02 0.00 -1.57 0.00 0.00 52.86 53.37 1x2t s ASN 116 Cb -0.12 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.53 1x2t s ASN 116 CO 0.01 -0.74 0.02 0.27 -2.57 0.00 0.00 177.10 174.09 1x2t s ILE 117 N 2.87 0.19 0.04 0.60 -4.36 -0.15 -4.92 121.20 115.47 1x2t s ILE 117 Ca 0.62 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1x2t s ILE 117 Cb -0.28 -1.56 -0.07 0.00 1.25 0.00 0.00 42.46 41.79 1x2t s ILE 117 CO 0.24 -0.87 1.52 -0.47 0.24 0.00 0.00 174.94 175.59 1x2t s TYR 118 N -3.93 2.68 0.20 1.37 5.04 -1.26 -1.53 117.35 119.92 1x2t s TYR 118 Ca 0.09 0.60 0.33 0.00 -2.44 0.00 0.00 57.07 55.65 1x2t s TYR 118 Cb 0.07 -3.80 1.76 0.00 0.35 0.00 0.00 41.96 40.34 1x2t s TYR 118 CO -0.09 -3.10 2.01 0.00 -1.34 0.00 0.00 175.55 173.04 1x2t n GLY 120 N -1.05 -0.25 3.74 0.00 0.00 -1.26 -2.56 105.19 103.80 1x2t n GLY 120 Ca -0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1x2t n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x2t s GLN 121 N -1.96 0.70 -0.27 1.61 -0.21 -0.91 -4.88 119.66 113.75 1x2t s GLN 121 Ca 0.38 0.33 0.00 0.00 0.02 0.00 0.00 55.36 56.09 1x2t s GLN 121 Cb 0.20 -1.78 0.05 0.00 1.00 0.00 0.00 33.01 32.47 1x2t s GLN 121 CO 0.32 -2.51 -0.07 -0.65 -2.12 0.00 0.00 175.29 170.26 1x2t s GLN 122 N -5.18 2.48 0.13 2.91 1.11 -1.26 -3.72 119.66 116.13 1x2t s GLN 122 Ca 0.65 -1.21 0.04 0.00 0.01 0.00 0.00 55.36 54.85 1x2t s GLN 122 Cb -0.16 -2.99 -0.04 0.00 -1.01 0.00 0.00 33.01 28.81 1x2t s GLN 122 CO 0.55 -0.53 -0.10 -0.80 0.01 0.00 0.00 175.29 174.42 1x2t s ASN 123 N 1.21 1.68 1.09 5.90 0.01 0.00 -4.55 114.94 120.29 1x2t s ASN 123 Ca -0.05 -0.98 -0.18 0.00 -0.71 0.00 0.00 52.86 50.94 1x2t s ASN 123 Cb -0.19 0.00 0.25 0.00 0.41 0.00 0.00 41.25 41.72 1x2t s ASN 123 CO -0.04 -0.33 1.19 -2.16 -1.51 0.00 0.00 177.10 174.25 1x2t s PRO 124 N -3.60 -0.38 0.20 -0.60 0.04 -1.17 -2.34 135.00 127.16 1x2t s PRO 124 Ca 0.14 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 60.87 1x2t s PRO 124 Cb 0.02 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.90 1x2t s PRO 124 CO -0.00 -3.13 0.65 1.97 0.04 0.00 0.00 177.00 176.53 1x2t n PHE 125 N -4.32 -1.53 -4.31 0.56 -1.74 -0.95 -1.76 117.46 103.41 1x2t n PHE 125 Ca 0.14 -1.10 -0.20 0.00 -0.56 0.00 0.00 57.45 55.72 1x2t n PHE 125 Cb 0.59 0.54 -0.16 0.00 1.52 0.00 0.00 39.48 41.98 1x2t n PHE 125 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1x2t s VAL 126 N -2.28 0.69 0.13 1.97 1.01 -1.25 -0.75 120.40 119.92 1x2t s VAL 126 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1x2t s VAL 126 Cb -0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1x2t s VAL 126 CO 0.06 0.24 0.19 0.00 0.00 0.00 0.00 175.10 175.59 1x2t s GLU 128 N -2.97 0.16 0.00 0.00 2.12 0.45 -1.25 118.70 117.22 1x2t s GLU 128 Ca 0.32 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1x2t s GLU 128 Cb -0.11 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1x2t s GLU 128 CO 0.26 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.96