#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7c s SER 2 N 0.00 1.91 -0.14 1.61 0.01 -1.26 -5.15 113.70 110.68 2e7c s SER 2 Ca 0.00 -0.65 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 2e7c s SER 2 Cb 0.00 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.20 2e7c s SER 2 CO 0.00 -0.05 0.37 -0.55 0.41 0.00 0.00 173.24 173.41 2e7c s SER 3 N -1.85 -0.39 0.00 2.44 0.15 -1.26 -5.15 113.70 107.64 2e7c s SER 3 Ca 0.01 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2e7c s SER 3 Cb -0.09 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2e7c s SER 3 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2e7c n GLY 4 N 3.11 4.07 3.18 9.45 0.00 -1.26 -5.08 105.19 118.65 2e7c n GLY 4 Ca -0.15 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 2e7c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7c s SER 5 N 0.00 5.45 -0.27 1.61 0.01 -1.26 -4.97 113.70 114.27 2e7c s SER 5 Ca 0.00 -1.85 -0.05 0.00 1.31 0.00 0.00 55.95 55.36 2e7c s SER 5 Cb 0.00 -1.91 -0.06 0.00 0.21 0.00 0.00 66.02 64.26 2e7c s SER 5 CO 0.00 -0.58 3.07 -0.24 0.41 0.00 0.00 173.24 175.90 2e7c n SER 6 N 4.76 5.98 -4.01 2.44 2.88 -1.26 -4.76 113.62 119.64 2e7c n SER 6 Ca -0.06 -2.91 -0.33 0.00 -1.33 0.00 0.00 58.87 54.24 2e7c n SER 6 Cb 0.42 -1.30 -0.11 0.00 -0.75 0.00 0.00 64.21 62.47 2e7c n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e7c s GLY 7 N 1.01 2.66 -0.43 0.46 0.00 -1.26 -5.03 107.32 104.72 2e7c s GLY 7 Ca 0.60 -3.48 -0.07 0.00 0.00 0.00 0.00 44.72 41.77 2e7c s GLY 7 CO -0.13 1.08 0.27 -1.59 0.00 0.00 0.00 173.10 172.73 2e7c s THR 8 N -0.63 3.87 -0.30 0.90 2.01 -1.26 -5.01 115.64 115.22 2e7c s THR 8 Ca 0.20 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.37 2e7c s THR 8 Cb -0.17 -3.53 0.17 0.00 0.01 0.00 0.00 72.50 68.98 2e7c s THR 8 CO -0.06 -0.67 0.69 -0.22 -0.69 0.00 0.00 174.62 173.67 2e7c s LEU 9 N 1.30 -1.18 -0.90 4.42 2.96 -1.26 -5.10 118.68 118.92 2e7c s LEU 9 Ca 0.06 0.95 -0.08 0.00 -0.22 0.00 0.00 54.13 54.83 2e7c s LEU 9 Cb -0.24 2.07 0.23 0.00 0.50 0.00 0.00 46.19 48.75 2e7c s LEU 9 CO -0.01 -0.22 0.83 0.00 -1.32 0.00 0.00 176.35 175.62 2e7c s ALA 10 N 2.86 4.25 -0.09 5.97 0.00 -1.26 -5.04 121.76 128.44 2e7c s ALA 10 Ca 0.11 -3.59 -0.32 0.00 0.00 0.00 0.00 51.96 48.17 2e7c s ALA 10 Cb -0.13 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2e7c s ALA 10 CO -0.19 -2.20 2.01 1.04 0.00 0.00 0.00 175.76 176.41 2e7c n GLN 11 N 3.16 2.29 -0.88 0.00 6.02 -1.26 -4.96 117.38 121.74 2e7c n GLN 11 Ca 0.18 0.79 -0.25 0.00 -0.01 0.00 0.00 57.00 57.71 2e7c n GLN 11 Cb 0.41 -2.87 0.21 0.00 1.02 0.00 0.00 30.24 29.01 2e7c n GLN 11 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2e7c n PRO 12 N 7.50 -2.82 -3.82 -1.09 -0.04 -1.26 -5.03 135.00 128.45 2e7c n PRO 12 Ca 0.25 -1.48 -0.29 0.00 -0.04 0.00 0.00 63.50 61.94 2e7c n PRO 12 Cb 0.36 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 2e7c n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2e7c s VAL 13 N -2.68 2.24 0.41 0.52 1.01 -1.26 -5.10 120.40 115.54 2e7c s VAL 13 Ca 0.60 -3.53 -0.23 0.00 0.00 0.00 0.00 61.98 58.82 2e7c s VAL 13 Cb -0.06 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 2e7c s VAL 13 CO 0.46 -0.96 0.99 -0.89 0.00 0.00 0.00 175.10 174.70 2e7c s THR 14 N -0.66 4.04 0.06 3.92 2.01 -1.26 -5.06 115.64 118.70 2e7c s THR 14 Ca 0.23 1.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 2e7c s THR 14 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2e7c s THR 14 CO -0.10 -0.12 0.22 -0.63 -0.69 0.00 0.00 174.62 173.30 2e7c s ILE 15 N -1.88 5.38 0.90 1.82 -1.09 -1.26 -5.07 121.20 120.00 2e7c s ILE 15 Ca 0.59 -0.32 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 2e7c s ILE 15 Cb -0.16 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 2e7c s ILE 15 CO 0.21 0.16 0.17 0.54 -1.23 0.00 0.00 174.94 174.78 2e7c n ARG 16 N 0.37 -0.11 -3.66 2.79 3.00 -1.26 -4.97 116.66 112.82 2e7c n ARG 16 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.47 2e7c n ARG 16 Cb 0.51 -1.66 -0.05 0.00 0.00 0.00 0.00 32.46 31.27 2e7c n ARG 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2e7c s GLU 17 N -3.06 3.64 0.24 5.56 -1.05 -1.26 -5.07 118.70 117.69 2e7c s GLU 17 Ca 0.55 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 55.03 2e7c s GLU 17 Cb -0.24 -2.87 -0.09 0.00 -0.44 0.00 0.00 34.13 30.49 2e7c s GLU 17 CO 0.69 0.48 1.04 0.42 0.95 0.00 0.00 175.26 178.84 2e7c s ILE 18 N -1.61 3.79 -0.03 1.83 1.01 -1.26 -4.98 121.20 119.94 2e7c s ILE 18 Ca 0.40 1.73 -0.23 0.00 0.00 0.00 0.00 60.65 62.55 2e7c s ILE 18 Cb -0.12 -4.10 -0.17 0.00 0.01 0.00 0.00 42.46 38.07 2e7c s ILE 18 CO 0.23 0.39 1.02 0.00 0.00 0.00 0.00 174.94 176.58 2e7c h ALA 19 N 4.24 -0.23 -3.57 9.38 0.00 -1.99 -3.46 119.26 123.65 2e7c h ALA 19 Ca -0.46 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 53.92 2e7c h ALA 19 Cb 1.21 0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.76 2e7c h ALA 19 CO 0.68 -0.35 -0.74 -2.00 0.00 0.00 0.00 179.25 176.85 2e7c s GLU 20 N -3.82 0.16 0.50 0.00 2.56 -1.22 -4.92 118.70 111.97 2e7c s GLU 20 Ca -0.14 0.08 -0.21 0.00 0.00 0.00 0.00 54.97 54.70 2e7c s GLU 20 Cb 0.01 -0.33 -0.07 0.00 2.00 0.00 0.00 34.13 35.74 2e7c s GLU 20 CO 0.53 -0.11 1.15 -1.25 -0.56 0.00 0.00 175.26 175.01 2e7c s PRO 21 N 0.81 3.57 -0.19 4.30 0.04 -1.26 -1.25 135.00 141.02 2e7c s PRO 21 Ca -0.08 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 2e7c s PRO 21 Cb -0.11 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2e7c s PRO 21 CO -0.02 -0.69 1.59 -1.25 0.04 0.00 0.00 177.00 176.67 2e7c s PRO 22 N -2.98 3.90 -0.15 0.56 0.04 -1.26 -3.82 135.00 131.28 2e7c s PRO 22 Ca 0.68 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2e7c s PRO 22 Cb -0.26 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.30 2e7c s PRO 22 CO 0.31 -1.16 -0.12 0.21 0.04 0.00 0.00 177.00 176.27 2e7c s LYS 23 N 4.45 2.13 -0.50 4.56 2.47 -1.09 -4.69 119.74 127.07 2e7c s LYS 23 Ca 0.70 -0.57 -0.22 0.00 -1.56 0.00 0.00 55.97 54.33 2e7c s LYS 23 Cb -0.26 -2.09 0.04 0.00 -1.46 0.00 0.00 37.83 34.06 2e7c s LYS 23 CO 0.28 -0.28 0.76 0.42 0.16 0.00 0.00 175.35 176.69 2e7c s ILE 24 N 1.51 4.66 -0.47 5.43 1.01 -1.26 -0.61 121.20 131.47 2e7c s ILE 24 Ca 0.04 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.52 2e7c s ILE 24 Cb -0.13 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.00 2e7c s ILE 24 CO -0.10 -0.85 0.79 -0.13 0.00 0.00 0.00 174.94 174.65 2e7c s ARG 25 N 3.22 3.36 -0.17 2.79 1.81 -0.65 -5.02 118.95 124.29 2e7c s ARG 25 Ca 0.24 -0.22 -0.09 0.00 -1.72 0.00 0.00 55.73 53.95 2e7c s ARG 25 Cb -0.15 -3.97 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 2e7c s ARG 25 CO 0.18 -1.18 0.13 -0.51 -0.68 0.00 0.00 175.30 173.24 2e7c s LEU 26 N 3.31 4.25 0.00 2.53 1.43 -1.26 -3.51 118.68 125.43 2e7c s LEU 26 Ca 0.28 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2e7c s LEU 26 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2e7c s LEU 26 CO 0.21 0.26 0.00 -0.81 0.23 0.00 0.00 176.35 176.24 2e7c n PRO 27 N 2.96 -0.77 -0.07 1.29 -0.04 -1.26 -4.95 135.00 132.16 2e7c n PRO 27 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 2e7c n PRO 27 Cb 0.53 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.86 2e7c n PRO 27 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2e7c n ARG 28 N -1.32 0.70 0.27 0.54 0.63 -1.26 -3.63 116.66 112.58 2e7c n ARG 28 Ca 0.00 0.21 0.18 0.00 -0.92 0.00 0.00 57.85 57.32 2e7c n ARG 28 Cb 0.00 -1.61 0.97 0.00 0.45 0.00 0.00 32.46 32.27 2e7c n ARG 28 CO 0.00 0.00 0.00 1.12 -2.51 0.00 0.00 177.63 176.24 2e7c h HIS 29 N 0.03 0.00 0.01 -0.14 2.07 -1.95 -2.58 115.15 112.59 2e7c h HIS 29 Ca -0.51 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 56.77 2e7c h HIS 29 Cb 1.96 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.91 2e7c h HIS 29 CO 0.05 0.00 -1.35 1.28 -3.07 0.00 0.00 177.93 174.84 2e7c n LEU 30 N -2.75 1.92 -0.32 6.12 4.77 -1.26 -4.18 117.00 121.29 2e7c n LEU 30 Ca -0.02 0.40 0.28 0.00 -0.03 0.00 0.00 56.01 56.64 2e7c n LEU 30 Cb 0.06 -0.97 0.47 0.00 -2.33 0.00 0.00 43.42 40.64 2e7c n LEU 30 CO 0.16 0.33 0.85 0.54 -1.33 0.00 0.00 177.39 177.93 2e7c n ARG 31 N -4.36 -0.03 -3.87 3.23 1.74 -0.97 -4.22 116.66 108.18 2e7c n ARG 31 Ca -0.33 0.89 -0.21 0.00 -0.77 0.00 0.00 57.85 57.44 2e7c n ARG 31 Cb 0.71 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2e7c n ARG 31 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2e7c s GLN 32 N -4.79 3.35 -0.14 5.56 -0.21 -1.24 -4.98 119.66 117.21 2e7c s GLN 32 Ca -0.05 -0.83 -0.36 0.00 0.02 0.00 0.00 55.36 54.14 2e7c s GLN 32 Cb 0.22 -2.86 -0.13 0.00 1.00 0.00 0.00 33.01 31.24 2e7c s GLN 32 CO 0.57 0.35 1.81 2.41 -2.12 0.00 0.00 175.29 178.31 2e7c n THR 33 N -1.45 0.45 -2.26 -0.19 -1.04 -1.26 -4.81 114.28 103.72 2e7c n THR 33 Ca -0.07 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 2e7c n THR 33 Cb 0.57 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 2e7c n THR 33 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2e7c s TYR 34 N 3.66 1.94 -0.17 -1.42 5.04 -0.43 -4.89 117.35 121.07 2e7c s TYR 34 Ca 0.94 0.45 -0.20 0.00 -2.44 0.00 0.00 57.07 55.82 2e7c s TYR 34 Cb -0.83 -4.31 -0.03 0.00 0.35 0.00 0.00 41.96 37.14 2e7c s TYR 34 CO 0.56 -2.21 0.57 0.42 -1.34 0.00 0.00 175.55 173.55 2e7c s ILE 35 N 7.56 5.08 -0.07 3.14 -1.09 -1.26 -0.60 121.20 133.96 2e7c s ILE 35 Ca 0.54 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.94 2e7c s ILE 35 Cb -0.11 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2e7c s ILE 35 CO 0.19 0.18 0.27 -0.13 -1.23 0.00 0.00 174.94 174.23 2e7c s ARG 36 N 1.49 0.42 0.53 2.79 1.81 -1.01 -5.02 118.95 119.95 2e7c s ARG 36 Ca 0.27 0.18 -0.17 0.00 -1.72 0.00 0.00 55.73 54.29 2e7c s ARG 36 Cb -0.16 0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.47 2e7c s ARG 36 CO 0.11 -0.08 1.00 0.15 -0.68 0.00 0.00 175.30 175.80 2e7c s LYS 37 N -0.35 3.83 0.55 3.54 1.02 -1.26 -0.46 119.74 126.60 2e7c s LYS 37 Ca -0.05 1.03 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 2e7c s LYS 37 Cb -0.03 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2e7c s LYS 37 CO 0.01 -0.38 1.21 0.08 -0.92 0.00 0.00 175.35 175.36 2e7c s VAL 38 N -2.54 2.73 0.00 3.17 1.01 0.19 -3.05 120.40 121.91 2e7c s VAL 38 Ca 0.60 0.49 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2e7c s VAL 38 Cb -0.11 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2e7c s VAL 38 CO 0.31 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2e7c n GLY 39 N 0.48 1.55 3.66 4.51 0.00 -0.50 -4.54 105.19 110.35 2e7c n GLY 39 Ca 0.11 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2e7c n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7c n GLU 40 N 0.00 0.91 -2.46 1.61 -0.58 -1.17 -3.87 120.64 115.09 2e7c n GLU 40 Ca 0.00 0.36 -0.36 0.00 -0.42 0.00 0.00 57.16 56.75 2e7c n GLU 40 Cb 0.00 -2.33 -0.03 0.00 -0.57 0.00 0.00 31.44 28.52 2e7c n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2e7c s GLN 41 N -3.10 3.87 -0.04 3.49 -0.21 -1.26 -2.27 119.66 120.13 2e7c s GLN 41 Ca 0.79 1.52 -0.02 0.00 0.02 0.00 0.00 55.36 57.67 2e7c s GLN 41 Cb -0.39 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2e7c s GLN 41 CO 0.44 -0.40 0.07 -0.51 -2.12 0.00 0.00 175.29 172.78 2e7c s LEU 42 N -3.13 3.91 -0.20 2.90 1.43 -1.10 -4.95 118.68 117.53 2e7c s LEU 42 Ca 0.64 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 2e7c s LEU 42 Cb -0.22 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 43.96 2e7c s LEU 42 CO 0.26 0.32 0.28 0.21 0.23 0.00 0.00 176.35 177.65 2e7c s ASN 43 N -1.44 0.83 -0.17 2.29 3.84 -1.25 -3.00 114.94 116.04 2e7c s ASN 43 Ca 0.20 0.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.35 2e7c s ASN 43 Cb -0.12 0.67 0.05 0.00 -0.55 0.00 0.00 41.25 41.29 2e7c s ASN 43 CO 0.10 -0.30 -0.02 -0.76 -2.79 0.00 0.00 177.10 173.32 2e7c s LEU 44 N 2.41 1.50 -0.53 3.21 1.43 -0.03 -4.99 118.68 121.68 2e7c s LEU 44 Ca 0.07 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2e7c s LEU 44 Cb -0.15 -0.81 0.14 0.00 0.03 0.00 0.00 46.19 45.40 2e7c s LEU 44 CO -0.12 -0.22 0.33 -0.69 0.23 0.00 0.00 176.35 175.88 2e7c s VAL 45 N 1.70 3.52 -0.52 -1.59 1.01 -1.26 -0.96 120.40 122.30 2e7c s VAL 45 Ca -0.00 -2.56 -0.16 0.00 0.00 0.00 0.00 61.98 59.27 2e7c s VAL 45 Cb -0.16 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 32.99 2e7c s VAL 45 CO -0.07 -0.79 0.46 -0.69 0.00 0.00 0.00 175.10 174.01 2e7c s VAL 46 N 0.48 5.21 0.46 2.92 1.01 -1.23 -4.88 120.40 124.37 2e7c s VAL 46 Ca 0.13 -1.35 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2e7c s VAL 46 Cb -0.22 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 2e7c s VAL 46 CO -0.04 -0.77 1.16 -2.16 0.00 0.00 0.00 175.10 173.30 2e7c s PRO 47 N 1.61 3.74 0.04 2.72 0.04 -1.23 -3.57 135.00 138.35 2e7c s PRO 47 Ca 0.03 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 2e7c s PRO 47 Cb -0.28 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2e7c s PRO 47 CO 0.04 -0.57 0.02 -0.59 0.04 0.00 0.00 177.00 175.95 2e7c s PHE 48 N -1.55 0.32 0.46 0.56 -0.12 -1.20 -1.63 117.98 114.81 2e7c s PHE 48 Ca 0.64 -0.70 0.04 0.00 -0.05 0.00 0.00 56.93 56.86 2e7c s PHE 48 Cb -0.28 -0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 41.82 2e7c s PHE 48 CO 0.34 -0.33 0.01 -0.65 -0.05 0.00 0.00 175.22 174.54 2e7c s GLN 49 N -2.75 2.08 0.00 1.99 -0.21 0.22 -4.59 119.66 116.39 2e7c s GLN 49 Ca -0.04 -2.26 0.00 0.00 0.02 0.00 0.00 55.36 53.08 2e7c s GLN 49 Cb -0.00 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.43 2e7c s GLN 49 CO -0.06 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 2e7c n GLY 50 N -1.12 3.79 3.38 3.09 0.00 -1.25 -2.67 105.19 110.40 2e7c n GLY 50 Ca -0.12 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 2e7c n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7c s LYS 51 N -2.71 1.18 0.00 1.61 1.02 -0.38 -4.54 119.74 115.92 2e7c s LYS 51 Ca 0.00 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 2e7c s LYS 51 Cb 0.00 0.51 -0.18 0.00 -0.52 0.00 0.00 37.83 37.64 2e7c s LYS 51 CO 0.00 -0.48 1.30 -1.00 -0.92 0.00 0.00 175.35 174.24 2e7c h PRO 52 N 2.24 0.15 -3.20 -1.68 0.13 -1.96 -3.23 132.00 124.45 2e7c h PRO 52 Ca -0.33 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 2e7c h PRO 52 Cb 1.27 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.01 2e7c h PRO 52 CO 0.43 0.59 -0.77 0.50 -0.23 0.00 0.00 178.00 178.52 2e7c s ARG 53 N -4.27 0.66 0.34 0.86 3.52 -1.26 -5.07 118.95 113.73 2e7c s ARG 53 Ca -0.15 -1.12 -0.28 0.00 -0.13 0.00 0.00 55.73 54.05 2e7c s ARG 53 Cb 0.03 -1.78 -0.09 0.00 -1.56 0.00 0.00 34.95 31.55 2e7c s ARG 53 CO 0.71 -1.04 1.21 -1.25 -0.81 0.00 0.00 175.30 174.11 2e7c s PRO 54 N 1.48 4.32 -0.11 5.12 0.04 -1.26 -4.92 135.00 139.66 2e7c s PRO 54 Ca 0.12 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2e7c s PRO 54 Cb -0.19 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 2e7c s PRO 54 CO -0.21 -0.14 0.27 -1.14 0.04 0.00 0.00 177.00 175.82 2e7c s GLN 55 N -1.88 3.96 0.12 4.56 2.00 -0.66 -4.97 119.66 122.80 2e7c s GLN 55 Ca 0.51 0.10 0.02 0.00 -2.00 0.00 0.00 55.36 53.99 2e7c s GLN 55 Cb -0.35 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 2e7c s GLN 55 CO 0.45 0.49 0.24 0.08 -0.50 0.00 0.00 175.29 176.06 2e7c s VAL 56 N -0.30 5.24 -0.09 1.34 1.01 -1.26 -0.30 120.40 126.03 2e7c s VAL 56 Ca 0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2e7c s VAL 56 Cb -0.14 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2e7c s VAL 56 CO 0.06 -0.02 0.18 -0.69 0.00 0.00 0.00 175.10 174.63 2e7c s VAL 57 N -1.67 -0.25 -0.18 2.92 1.01 -1.09 -4.89 120.40 116.24 2e7c s VAL 57 Ca 0.34 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2e7c s VAL 57 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2e7c s VAL 57 CO 0.28 0.13 -0.01 0.26 0.00 0.00 0.00 175.10 175.75 2e7c s TRP 58 N 2.13 3.04 -0.17 5.22 0.52 -1.26 -3.20 118.94 125.21 2e7c s TRP 58 Ca 0.01 -0.39 -0.20 0.00 0.02 0.00 0.00 56.10 55.53 2e7c s TRP 58 Cb -0.12 -2.04 0.05 0.00 -1.15 0.00 0.00 33.47 30.22 2e7c s TRP 58 CO -0.06 -0.16 0.55 0.95 0.02 0.00 0.00 176.95 178.25 2e7c s THR 59 N 0.75 0.01 -1.04 2.01 -4.23 -1.20 -4.22 115.64 107.72 2e7c s THR 59 Ca -0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 2e7c s THR 59 Cb -0.14 -0.79 0.26 0.00 1.34 0.00 0.00 72.50 73.17 2e7c s THR 59 CO 0.02 -0.02 1.01 -0.54 -0.54 0.00 0.00 174.62 174.55 2e7c s LYS 60 N -0.02 3.99 0.00 3.99 1.02 -1.11 -1.33 119.74 126.27 2e7c s LYS 60 Ca -0.02 -3.12 0.00 0.00 0.02 0.00 0.00 55.97 52.85 2e7c s LYS 60 Cb -0.04 -4.45 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 2e7c s LYS 60 CO 0.02 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.61 2e7c n GLY 61 N 2.84 2.49 0.00 -3.33 0.00 -1.22 -4.23 105.19 101.74 2e7c n GLY 61 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2e7c n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7c n GLY 62 N 0.00 0.00 3.31 -0.02 0.00 -1.26 -5.08 105.19 102.14 2e7c n GLY 62 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2e7c n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e7c s ALA 63 N 0.00 -1.04 0.05 4.61 0.00 -1.26 -5.14 121.76 118.98 2e7c s ALA 63 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 2e7c s ALA 63 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 2e7c s ALA 63 CO 0.00 -0.27 1.41 -1.25 0.00 0.00 0.00 175.76 175.66 2e7c s PRO 64 N -0.90 4.29 0.60 0.00 0.04 -1.26 -2.77 135.00 135.01 2e7c s PRO 64 Ca -0.10 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 2e7c s PRO 64 Cb -0.04 -3.46 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 2e7c s PRO 64 CO 0.04 -0.53 0.12 1.28 0.04 0.00 0.00 177.00 177.95 2e7c n LEU 65 N 4.89 -1.79 0.01 -3.56 4.77 -1.26 -4.80 117.00 115.25 2e7c n LEU 65 Ca 0.13 0.63 0.16 0.00 -0.03 0.00 0.00 56.01 56.90 2e7c n LEU 65 Cb 0.43 -1.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.14 2e7c n LEU 65 CO 0.59 -4.10 1.17 0.44 -1.33 0.00 0.00 177.39 174.16 2e7c h ASP 66 N -0.07 0.12 -4.61 -1.43 3.32 -1.97 -3.45 116.42 108.33 2e7c h ASP 66 Ca -0.43 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.33 2e7c h ASP 66 Cb 1.41 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.90 2e7c h ASP 66 CO 0.42 0.07 -0.41 0.35 -1.72 0.00 0.00 179.24 177.96 2e7c n THR 67 N -4.43 -0.77 -0.01 0.35 -2.24 -1.26 -4.77 114.28 101.15 2e7c n THR 67 Ca 0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 2e7c n THR 67 Cb 0.46 -1.72 -0.01 0.00 -2.10 0.00 0.00 70.33 66.96 2e7c n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e7c n SER 68 N -2.01 3.79 -0.00 3.42 7.64 -1.26 -4.83 113.62 120.36 2e7c n SER 68 Ca -0.08 -0.01 0.01 0.00 1.01 0.00 0.00 58.87 59.81 2e7c n SER 68 Cb 0.57 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2e7c n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e7c n ARG 69 N -2.56 0.55 -3.03 1.43 1.74 -1.26 -5.00 116.66 108.53 2e7c n ARG 69 Ca -0.03 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.62 2e7c n ARG 69 Cb 0.53 -1.09 -0.05 0.00 -1.02 0.00 0.00 32.46 30.83 2e7c n ARG 69 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2e7c s VAL 70 N -2.24 5.01 -0.36 1.55 1.01 -1.26 -3.96 120.40 120.15 2e7c s VAL 70 Ca -0.01 1.44 -0.09 0.00 0.00 0.00 0.00 61.98 63.32 2e7c s VAL 70 Cb 0.02 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2e7c s VAL 70 CO 0.16 0.19 0.17 -2.28 0.00 0.00 0.00 175.10 173.34 2e7c s HIS 71 N 1.18 3.24 -0.08 5.22 2.46 0.45 -4.67 115.29 123.09 2e7c s HIS 71 Ca 0.36 -1.10 0.02 0.00 0.47 0.00 0.00 55.06 54.81 2e7c s HIS 71 Cb -0.17 -2.38 0.02 0.00 -0.13 0.00 0.00 32.58 29.91 2e7c s HIS 71 CO 0.16 -0.67 -0.11 0.54 -2.47 0.00 0.00 174.74 172.19 2e7c s VAL 72 N 1.50 1.15 -0.33 0.89 0.11 -1.26 0.08 120.40 122.54 2e7c s VAL 72 Ca 0.01 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2e7c s VAL 72 Cb -0.19 -1.07 0.09 0.00 -1.53 0.00 0.00 36.38 33.68 2e7c s VAL 72 CO 0.05 0.37 0.03 -0.60 -3.33 0.00 0.00 175.10 171.62 2e7c s ARG 73 N 0.93 1.70 -0.08 1.54 3.00 0.05 -4.97 118.95 121.12 2e7c s ARG 73 Ca -0.09 -1.76 -0.27 0.00 -1.00 0.00 0.00 55.73 52.61 2e7c s ARG 73 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 34.95 31.59 2e7c s ARG 73 CO 0.00 -0.88 0.88 0.99 0.00 0.00 0.00 175.30 176.29 2e7c s THR 74 N 0.97 4.90 0.45 4.11 2.01 -1.26 -1.94 115.64 124.88 2e7c s THR 74 Ca 0.07 1.79 0.07 0.00 0.31 0.00 0.00 61.69 63.93 2e7c s THR 74 Cb -0.20 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.18 2e7c s THR 74 CO -0.07 0.12 0.58 -0.24 -0.69 0.00 0.00 174.62 174.33 2e7c n SER 75 N 4.40 1.76 0.20 3.53 2.88 0.15 -4.97 113.62 121.56 2e7c n SER 75 Ca 0.04 -2.24 0.11 0.00 -1.33 0.00 0.00 58.87 55.45 2e7c n SER 75 Cb 0.50 -0.29 0.13 0.00 -0.75 0.00 0.00 64.21 63.81 2e7c n SER 75 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2e7c h ASP 76 N 0.14 0.00 0.00 -3.46 5.19 -1.97 -3.38 116.42 112.94 2e7c h ASP 76 Ca -0.22 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.86 2e7c h ASP 76 Cb 0.98 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 2e7c h ASP 76 CO 0.32 0.06 -2.09 2.22 -3.12 0.00 0.00 179.24 176.63 2e7c n PHE 77 N -3.07 0.00 -4.06 4.55 1.16 -1.26 -4.87 117.46 109.91 2e7c n PHE 77 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.53 2e7c n PHE 77 Cb 0.56 -0.70 -0.09 0.00 -1.61 0.00 0.00 39.48 37.64 2e7c n PHE 77 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2e7c s ASP 78 N -6.75 0.32 0.32 5.98 1.47 -1.26 -3.27 116.67 113.48 2e7c s ASP 78 Ca -0.27 -1.00 0.08 0.00 1.18 0.00 0.00 52.55 52.53 2e7c s ASP 78 Cb 0.10 0.28 -0.03 0.00 -0.34 0.00 0.00 42.92 42.93 2e7c s ASP 78 CO 0.34 -0.69 0.23 0.28 0.68 0.00 0.00 175.17 176.01 2e7c s THR 79 N -3.96 3.61 -0.02 2.11 -1.32 -1.23 -0.68 115.64 114.14 2e7c s THR 79 Ca 0.14 -1.47 0.01 0.00 -1.21 0.00 0.00 61.69 59.15 2e7c s THR 79 Cb 0.07 -3.17 0.02 0.00 -1.51 0.00 0.00 72.50 67.91 2e7c s THR 79 CO -0.05 -0.22 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.44 2e7c s VAL 80 N -2.30 0.18 -0.10 5.08 1.01 -0.82 -3.52 120.40 119.94 2e7c s VAL 80 Ca 0.38 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2e7c s VAL 80 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2e7c s VAL 80 CO 0.25 0.13 -0.22 0.12 0.00 0.00 0.00 175.10 175.37 2e7c s PHE 81 N 0.79 2.40 0.03 5.22 2.19 -0.13 -0.77 117.98 127.70 2e7c s PHE 81 Ca -0.08 -0.98 -0.02 0.00 0.33 0.00 0.00 56.93 56.19 2e7c s PHE 81 Cb -0.11 -1.62 -0.02 0.00 -1.31 0.00 0.00 43.02 39.96 2e7c s PHE 81 CO -0.01 -0.40 -0.00 0.12 1.83 0.00 0.00 175.22 176.76 2e7c s PHE 82 N 0.39 0.32 -0.01 10.12 2.19 0.11 -0.85 117.98 130.24 2e7c s PHE 82 Ca -0.18 -0.66 0.00 0.00 0.33 0.00 0.00 56.93 56.41 2e7c s PHE 82 Cb -0.18 -0.23 0.02 0.00 -1.31 0.00 0.00 43.02 41.32 2e7c s PHE 82 CO 0.08 -0.28 0.02 0.08 1.83 0.00 0.00 175.22 176.95 2e7c s VAL 83 N -2.37 -0.02 0.07 3.12 1.01 -1.16 -0.41 120.40 120.63 2e7c s VAL 83 Ca -0.07 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2e7c s VAL 83 Cb -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 36.38 36.17 2e7c s VAL 83 CO -0.04 0.07 1.39 -0.09 0.00 0.00 0.00 175.10 176.42 2e7c h ARG 84 N 6.96 -0.53 -4.36 2.72 2.43 -1.93 -2.92 114.38 116.74 2e7c h ARG 84 Ca -0.39 0.04 -0.50 0.00 -0.81 0.00 0.00 59.98 58.31 2e7c h ARG 84 Cb 1.15 0.12 -0.35 0.00 -0.42 0.00 0.00 29.97 30.47 2e7c h ARG 84 CO 0.49 -0.35 -0.80 -0.65 -1.51 0.00 0.00 179.97 177.14 2e7c s GLN 85 N -4.93 1.52 -0.63 0.20 -0.21 -1.26 -4.32 119.66 110.03 2e7c s GLN 85 Ca -0.12 -0.31 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 2e7c s GLN 85 Cb 0.04 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.67 2e7c s GLN 85 CO 0.42 -0.09 1.52 0.00 -2.12 0.00 0.00 175.29 175.02 2e7c s ALA 86 N 1.06 2.60 0.00 6.09 0.00 -0.96 -4.77 121.76 125.77 2e7c s ALA 86 Ca -0.07 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 2e7c s ALA 86 Cb -0.14 -4.21 -0.06 0.00 0.00 0.00 0.00 23.12 18.70 2e7c s ALA 86 CO -0.01 -3.34 0.43 0.00 0.00 0.00 0.00 175.76 172.85 2e7c s ALA 87 N 6.90 3.67 0.39 0.00 0.00 -1.26 -1.41 121.76 130.05 2e7c s ALA 87 Ca 0.52 -0.19 0.22 0.00 0.00 0.00 0.00 51.96 52.51 2e7c s ALA 87 Cb -0.11 -2.43 1.28 0.00 0.00 0.00 0.00 23.12 21.86 2e7c s ALA 87 CO 0.21 0.45 1.63 0.00 0.00 0.00 0.00 175.76 178.05 2e7c h ARG 88 N 4.79 0.16 -0.54 0.00 3.08 -1.92 0.58 114.38 120.53 2e7c h ARG 88 Ca -0.51 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.59 2e7c h ARG 88 Cb 1.22 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 2e7c h ARG 88 CO 0.62 0.10 0.24 0.77 -1.07 0.00 0.00 179.97 180.64 2e7c h SER 89 N 0.16 0.31 -0.99 7.04 0.02 -1.96 -2.00 113.55 116.14 2e7c h SER 89 Ca 0.79 0.05 0.37 0.00 -0.84 0.00 0.00 61.79 62.15 2e7c h SER 89 Cb 2.14 -0.00 -0.18 0.00 0.14 0.00 0.00 62.40 64.49 2e7c h SER 89 CO -0.56 0.21 0.35 0.47 -1.14 0.00 0.00 176.83 176.17 2e7c n ASP 90 N -4.93 0.18 -4.05 3.07 9.92 0.20 -4.53 116.55 116.42 2e7c n ASP 90 Ca 0.06 1.66 -0.58 0.00 -0.53 0.00 0.00 54.79 55.40 2e7c n ASP 90 Cb 0.18 -0.74 -0.09 0.00 -0.64 0.00 0.00 41.12 39.84 2e7c n ASP 90 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2e7c n SER 91 N -5.33 1.01 0.00 -2.24 3.41 -0.75 -4.77 113.62 104.95 2e7c n SER 91 Ca 0.33 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2e7c n SER 91 Cb 1.10 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2e7c n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7c n GLY 92 N 3.71 1.45 2.81 5.00 0.00 -0.69 -5.00 105.19 112.47 2e7c n GLY 92 Ca 0.29 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2e7c n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e7c s GLU 93 N 2.07 1.00 -0.27 1.61 2.56 -1.26 -2.00 118.70 122.41 2e7c s GLU 93 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 54.97 54.23 2e7c s GLU 93 Cb 0.00 -2.11 -0.01 0.00 2.00 0.00 0.00 34.13 34.01 2e7c s GLU 93 CO 0.00 -0.57 0.70 0.71 -0.56 0.00 0.00 175.26 175.55 2e7c s TYR 94 N 1.73 3.26 -0.25 5.30 1.51 -0.05 -3.41 117.35 125.43 2e7c s TYR 94 Ca -0.01 0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 56.79 2e7c s TYR 94 Cb -0.17 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.65 2e7c s TYR 94 CO -0.07 -0.42 0.16 -2.00 -1.11 0.00 0.00 175.55 172.11 2e7c s GLU 95 N 2.69 4.00 -0.27 -0.62 2.12 -0.44 -0.15 118.70 126.03 2e7c s GLU 95 Ca 0.29 -0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 2e7c s GLU 95 Cb -0.15 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.69 2e7c s GLU 95 CO 0.10 -0.04 0.01 -1.17 -0.54 0.00 0.00 175.26 173.62 2e7c s LEU 96 N 1.34 3.46 -0.11 2.70 2.96 -0.36 -3.24 118.68 125.43 2e7c s LEU 96 Ca 0.07 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 2e7c s LEU 96 Cb -0.15 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.78 2e7c s LEU 96 CO 0.07 -0.14 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.41 2e7c s SER 97 N 1.44 2.23 -0.32 3.68 0.01 -1.19 0.87 113.70 120.41 2e7c s SER 97 Ca 0.02 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 2e7c s SER 97 Cb -0.16 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 2e7c s SER 97 CO -0.01 -0.06 0.53 -0.69 0.41 0.00 0.00 173.24 173.42 2e7c s VAL 98 N 1.37 5.01 -0.21 3.43 1.01 -0.39 -2.68 120.40 127.95 2e7c s VAL 98 Ca -0.00 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2e7c s VAL 98 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2e7c s VAL 98 CO -0.06 -0.13 0.46 -1.58 0.00 0.00 0.00 175.10 173.80 2e7c s GLN 99 N 2.42 4.16 0.27 2.72 0.74 0.59 -0.55 119.66 130.01 2e7c s GLN 99 Ca 0.20 0.30 0.10 0.00 0.05 0.00 0.00 55.36 56.02 2e7c s GLN 99 Cb -0.15 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 2e7c s GLN 99 CO 0.12 -0.12 -0.07 0.42 -0.55 0.00 0.00 175.29 175.08 2e7c s ILE 100 N 1.57 3.10 0.18 -2.34 -1.09 0.95 -1.66 121.20 121.92 2e7c s ILE 100 Ca 0.21 -2.09 -0.05 0.00 -2.23 0.00 0.00 60.65 56.50 2e7c s ILE 100 Cb -0.15 -2.65 0.30 0.00 -1.58 0.00 0.00 42.46 38.38 2e7c s ILE 100 CO 0.09 -0.38 1.02 -0.62 -1.23 0.00 0.00 174.94 173.82 2e7c n GLU 101 N -0.80 -0.06 0.00 2.79 -0.58 -1.26 -3.35 120.64 117.38 2e7c n GLU 101 Ca -0.06 1.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 2e7c n GLU 101 Cb 0.59 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2e7c n GLU 101 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2e7c n ASN 102 N -5.05 2.36 -4.91 1.62 2.85 -1.26 -5.09 115.26 105.78 2e7c n ASN 102 Ca 0.11 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.31 2e7c n ASN 102 Cb 0.34 0.21 0.05 0.00 1.24 0.00 0.00 39.78 41.62 2e7c n ASN 102 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2e7c s MET 103 N -1.49 2.53 -0.22 1.20 -1.94 -1.21 -5.11 119.30 113.07 2e7c s MET 103 Ca 0.00 0.00 -0.26 0.00 -1.71 0.00 0.00 55.69 53.72 2e7c s MET 103 Cb 0.00 -2.15 0.07 0.00 2.01 0.00 0.00 34.83 34.76 2e7c s MET 103 CO 0.00 -1.06 0.71 0.21 -0.01 0.00 0.00 175.02 174.87 2e7c s LYS 104 N -5.22 0.88 0.22 2.03 2.20 -1.26 -0.03 119.74 118.56 2e7c s LYS 104 Ca 0.58 0.84 0.05 0.00 -0.36 0.00 0.00 55.97 57.08 2e7c s LYS 104 Cb -0.11 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 2e7c s LYS 104 CO 0.47 -0.15 -0.07 0.34 -0.36 0.00 0.00 175.35 175.57 2e7c s ASP 105 N 0.04 2.22 0.15 1.43 -1.08 0.29 -4.96 116.67 114.77 2e7c s ASP 105 Ca -0.02 -1.12 -0.00 0.00 -0.52 0.00 0.00 52.55 50.89 2e7c s ASP 105 Cb -0.04 -0.07 -0.04 0.00 -1.46 0.00 0.00 42.92 41.31 2e7c s ASP 105 CO 0.03 -0.35 0.06 0.42 0.52 0.00 0.00 175.17 175.85 2e7c s THR 106 N -3.19 0.22 -0.03 1.71 -4.23 -1.26 -1.26 115.64 107.59 2e7c s THR 106 Ca 0.25 -1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 58.53 2e7c s THR 106 Cb 0.03 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.82 2e7c s THR 106 CO 0.07 -0.38 0.88 0.00 -0.54 0.00 0.00 174.62 174.65 2e7c s ALA 107 N -3.98 -1.83 0.01 3.99 0.00 0.25 -4.86 121.76 115.34 2e7c s ALA 107 Ca 0.27 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.40 2e7c s ALA 107 Cb 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2e7c s ALA 107 CO 0.04 -0.59 -0.13 0.99 0.00 0.00 0.00 175.76 176.08 2e7c s THR 108 N -2.58 1.02 -0.03 0.00 2.01 -1.26 -1.22 115.64 113.58 2e7c s THR 108 Ca 0.02 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2e7c s THR 108 Cb -0.01 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2e7c s THR 108 CO -0.06 0.19 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.37 2e7c s ILE 109 N -0.47 0.63 -0.29 1.82 1.01 0.79 -4.96 121.20 119.73 2e7c s ILE 109 Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 2e7c s ILE 109 Cb -0.06 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2e7c s ILE 109 CO 0.00 0.23 0.15 -0.13 0.00 0.00 0.00 174.94 175.19 2e7c s ARG 110 N 0.54 3.59 -0.18 2.79 0.52 -1.26 -0.87 118.95 124.08 2e7c s ARG 110 Ca -0.08 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 2e7c s ARG 110 Cb -0.11 -3.56 0.01 0.00 0.52 0.00 0.00 34.95 31.81 2e7c s ARG 110 CO 0.01 -0.30 -0.18 0.42 0.02 0.00 0.00 175.30 175.27 2e7c s ILE 111 N 1.66 2.31 -0.10 1.52 1.01 -0.84 -1.32 121.20 125.45 2e7c s ILE 111 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2e7c s ILE 111 Cb -0.16 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2e7c s ILE 111 CO 0.07 0.52 -0.21 -0.60 0.00 0.00 0.00 174.94 174.73 2e7c s ARG 112 N 1.18 3.01 -0.14 2.79 3.52 0.23 -1.71 118.95 127.83 2e7c s ARG 112 Ca 0.02 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2e7c s ARG 112 Cb -0.14 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 2e7c s ARG 112 CO -0.08 0.25 -0.03 0.08 -0.81 0.00 0.00 175.30 174.71 2e7c s VAL 113 N 0.18 3.96 0.25 7.11 1.01 -1.26 -2.42 120.40 129.23 2e7c s VAL 113 Ca -0.12 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2e7c s VAL 113 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2e7c s VAL 113 CO 0.07 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.27 2e7c s VAL 114 N 0.10 3.06 -0.11 2.92 -7.23 0.39 -4.87 120.40 114.66 2e7c s VAL 114 Ca -0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2e7c s VAL 114 Cb -0.13 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2e7c s VAL 114 CO 0.03 -0.31 1.06 -1.61 -0.31 0.00 0.00 175.10 173.96 2e7c s GLU 115 N -3.38 4.38 0.52 4.82 2.02 -1.26 0.53 118.70 126.32 2e7c s GLU 115 Ca 0.29 1.46 0.37 0.00 0.02 0.00 0.00 54.97 57.11 2e7c s GLU 115 Cb -0.07 -3.56 1.54 0.00 0.10 0.00 0.00 34.13 32.14 2e7c s GLU 115 CO 0.17 -0.39 1.72 1.57 0.02 0.00 0.00 175.26 178.34 2e7c h LYS 116 N 7.25 0.05 -5.12 1.61 -0.00 -1.91 -3.23 116.57 115.23 2e7c h LYS 116 Ca -0.30 -0.00 -0.68 0.00 -0.00 0.00 0.00 60.65 59.66 2e7c h LYS 116 Cb 1.14 -0.01 -0.17 0.00 -0.00 0.00 0.00 32.23 33.19 2e7c h LYS 116 CO 0.88 0.03 0.89 0.00 -0.00 0.00 0.00 179.45 181.25 2e7c s ALA 117 N -5.03 3.31 0.00 0.07 0.00 -1.26 -5.01 121.76 113.84 2e7c s ALA 117 Ca -0.06 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.19 2e7c s ALA 117 Cb 0.25 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2e7c s ALA 117 CO 0.83 -3.04 0.43 0.41 0.00 0.00 0.00 175.76 174.40