#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f n SER 2 N 0.00 1.12 -4.47 1.61 7.64 -1.26 -5.09 113.62 113.18 2d9f n SER 2 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2d9f n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2d9f n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9f s SER 3 N -3.98 3.89 -0.15 6.43 1.04 -1.26 -5.13 113.70 114.54 2d9f s SER 3 Ca 0.00 -0.35 -0.13 0.00 0.48 0.00 0.00 55.95 55.95 2d9f s SER 3 Cb 0.00 -0.69 0.04 0.00 0.10 0.00 0.00 66.02 65.47 2d9f s SER 3 CO 0.00 0.28 0.40 -0.83 0.98 0.00 0.00 173.24 174.07 2d9f s GLY 4 N -1.25 -0.30 0.07 7.32 0.00 -1.26 -5.17 107.32 106.73 2d9f s GLY 4 Ca 0.14 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.78 2d9f s GLY 4 CO 0.04 1.09 0.80 -0.56 0.00 0.00 0.00 173.10 174.47 2d9f s SER 5 N 0.42 -0.41 -0.03 1.64 0.01 -1.26 -5.17 113.70 108.90 2d9f s SER 5 Ca -0.02 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2d9f s SER 5 Cb -0.04 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.66 2d9f s SER 5 CO -0.02 -0.78 -0.13 -0.94 0.41 0.00 0.00 173.24 171.79 2d9f s SER 6 N -2.62 1.58 -0.21 2.44 1.04 -1.26 -5.12 113.70 109.55 2d9f s SER 6 Ca 0.05 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 2d9f s SER 6 Cb -0.01 -0.35 0.10 0.00 0.10 0.00 0.00 66.02 65.86 2d9f s SER 6 CO -0.09 0.12 0.28 -0.83 0.98 0.00 0.00 173.24 173.70 2d9f s GLY 7 N -0.00 -0.14 -0.80 7.32 0.00 -1.26 -5.03 107.32 107.41 2d9f s GLY 7 Ca -0.01 0.52 -0.02 0.00 0.00 0.00 0.00 44.72 45.21 2d9f s GLY 7 CO 0.01 2.31 2.12 -2.21 0.00 0.00 0.00 173.10 175.32 2d9f n GLU 8 N 5.34 2.70 0.00 2.90 4.07 -1.26 -4.32 120.64 130.07 2d9f n GLU 8 Ca -0.05 -3.36 0.00 0.00 -0.06 0.00 0.00 57.16 53.69 2d9f n GLU 8 Cb 0.50 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2d9f n GLU 9 N -0.37 0.00 -4.69 5.31 1.02 -1.26 -5.11 120.64 115.54 2d9f n GLU 9 Ca 0.54 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.37 2d9f n GLU 9 Cb 0.28 -0.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.97 2d9f n GLU 9 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2d9f s TRP 10 N -1.89 2.21 -0.21 -0.32 0.52 -1.26 -4.97 118.94 113.02 2d9f s TRP 10 Ca 0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 56.10 55.24 2d9f s TRP 10 Cb 0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 2d9f s TRP 10 CO 0.00 0.34 0.08 -1.17 0.02 0.00 0.00 176.95 176.22 2d9f s LEU 11 N -3.79 3.72 -0.62 2.99 0.20 -0.64 -4.91 118.68 115.64 2d9f s LEU 11 Ca 0.21 -0.02 -0.27 0.00 0.69 0.00 0.00 54.13 54.75 2d9f s LEU 11 Cb 0.06 -1.97 0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2d9f s LEU 11 CO 0.11 0.09 1.14 1.51 -0.29 0.00 0.00 176.35 178.91 2d9f s ASP 12 N 0.90 6.34 0.08 3.68 -4.77 -1.26 -1.84 116.67 119.80 2d9f s ASP 12 Ca 0.04 -0.21 -0.16 0.00 -3.30 0.00 0.00 52.55 48.93 2d9f s ASP 12 Cb -0.14 -2.52 -0.11 0.00 -1.09 0.00 0.00 42.92 39.06 2d9f s ASP 12 CO 0.03 -1.51 1.37 0.40 0.70 0.00 0.00 175.17 176.16 2d9f h ILE 13 N 6.08 1.32 0.00 2.11 2.04 -1.91 -3.31 117.51 123.83 2d9f h ILE 13 Ca -0.26 -1.53 -0.33 0.00 1.00 0.00 0.00 64.86 63.75 2d9f h ILE 13 Cb 1.06 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.82 2d9f h ILE 13 CO 1.19 0.48 -2.02 0.18 0.00 0.00 0.00 178.15 177.97 2d9f n LEU 14 N -4.28 0.48 0.00 1.44 4.77 -1.26 -5.00 117.00 113.15 2d9f n LEU 14 Ca -0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2d9f n LEU 14 Cb 0.49 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2d9f n LEU 14 CO 0.45 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2d9f n GLY 15 N 1.64 2.13 0.29 -0.72 0.00 -1.25 -4.94 105.19 102.34 2d9f n GLY 15 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2d9f n GLY 15 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2d9f h ASN 16 N 0.68 -0.57 0.00 1.61 7.08 -1.93 -3.48 115.58 118.97 2d9f h ASN 16 Ca 0.00 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 2d9f h ASN 16 Cb 0.00 0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 2d9f h ASN 16 CO 0.00 -0.29 0.00 0.61 -2.08 0.00 0.00 177.43 175.67 2d9f n GLY 17 N -0.93 0.95 0.01 9.14 0.00 -1.26 -5.00 105.19 108.10 2d9f n GLY 17 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 2d9f n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d9f h LEU 18 N 0.00 -0.03 -8.70 0.99 -0.00 -1.92 -3.40 115.31 102.24 2d9f h LEU 18 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.32 2d9f h LEU 18 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.61 2d9f h LEU 18 CO 0.00 -0.02 1.03 -0.22 -0.00 0.00 0.00 178.44 179.24 2d9f s LEU 19 N -4.18 3.54 0.30 1.67 2.96 -1.26 -3.71 118.68 118.00 2d9f s LEU 19 Ca -0.00 0.53 0.10 0.00 -0.22 0.00 0.00 54.13 54.53 2d9f s LEU 19 Cb 0.00 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 2d9f s LEU 19 CO 0.01 -1.46 -0.06 -0.13 -1.32 0.00 0.00 176.35 173.39 2d9f s ARG 20 N 4.97 2.04 -0.03 1.98 0.52 -1.08 -3.12 118.95 124.24 2d9f s ARG 20 Ca 0.54 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 2d9f s ARG 20 Cb -0.11 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.40 2d9f s ARG 20 CO 0.30 0.27 -0.08 0.21 0.02 0.00 0.00 175.30 176.02 2d9f s LYS 21 N -3.64 0.90 -0.36 3.54 2.20 -0.76 -2.46 119.74 119.16 2d9f s LYS 21 Ca 0.32 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.67 2d9f s LYS 21 Cb -0.04 -0.85 0.12 0.00 -1.51 0.00 0.00 37.83 35.55 2d9f s LYS 21 CO 0.18 0.08 0.17 0.21 -0.36 0.00 0.00 175.35 175.63 2d9f s LYS 22 N 0.30 0.80 -0.56 4.03 2.20 -0.23 -1.62 119.74 124.66 2d9f s LYS 22 Ca -0.05 -1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 53.91 2d9f s LYS 22 Cb -0.09 -1.85 -0.11 0.00 -1.51 0.00 0.00 37.83 34.26 2d9f s LYS 22 CO 0.00 -1.09 2.42 2.41 -0.36 0.00 0.00 175.35 178.73 2d9f n THR 23 N 4.31 0.02 -0.00 3.43 -1.04 -1.26 -2.09 114.28 117.64 2d9f n THR 23 Ca 0.04 -0.48 -0.18 0.00 -2.04 0.00 0.00 64.05 61.38 2d9f n THR 23 Cb 0.38 -2.03 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 2d9f n THR 23 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d9f h LEU 24 N 16.09 0.89 -6.62 -4.42 3.38 0.45 -3.43 115.31 121.66 2d9f h LEU 24 Ca -0.22 -0.67 -0.30 0.00 0.09 0.00 0.00 57.88 56.78 2d9f h LEU 24 Cb 1.29 -0.27 -0.34 0.00 0.09 0.00 0.00 40.66 41.43 2d9f h LEU 24 CO 1.17 1.42 -0.61 -0.69 0.09 0.00 0.00 178.44 179.82 2d9f s VAL 25 N -3.60 -0.39 0.42 1.22 1.01 0.89 -4.95 120.40 114.99 2d9f s VAL 25 Ca -0.11 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 2d9f s VAL 25 Cb 0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 2d9f s VAL 25 CO 0.90 -0.32 1.18 -2.16 0.00 0.00 0.00 175.10 174.71 2d9f s PRO 26 N 2.37 3.95 0.82 2.72 0.04 -1.26 0.34 135.00 143.98 2d9f s PRO 26 Ca 0.09 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 2d9f s PRO 26 Cb -0.15 -2.60 0.13 0.00 0.04 0.00 0.00 34.50 31.92 2d9f s PRO 26 CO -0.22 -0.41 1.14 0.20 0.04 0.00 0.00 177.00 177.75 2d9f s GLY 27 N -1.16 1.74 0.89 0.56 0.00 -1.26 -4.84 107.32 103.25 2d9f s GLY 27 Ca 0.59 -1.24 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2d9f s GLY 27 CO 0.38 -0.64 1.09 2.56 0.00 0.00 0.00 173.10 176.50 2d9f s PRO 28 N -5.49 1.33 0.00 2.90 0.04 -1.26 -4.90 135.00 127.62 2d9f s PRO 28 Ca 0.67 0.85 0.14 0.00 0.04 0.00 0.00 61.00 62.70 2d9f s PRO 28 Cb -0.07 -1.82 0.83 0.00 0.04 0.00 0.00 34.50 33.49 2d9f s PRO 28 CO 0.48 -2.20 1.25 -0.35 0.04 0.00 0.00 177.00 176.22 2d9f n PRO 29 N -3.86 0.49 -0.06 0.56 -0.04 -1.26 -2.70 135.00 128.13 2d9f n PRO 29 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 2d9f n PRO 29 Cb 0.55 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 2d9f n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9f n GLY 30 N -0.02 -0.69 3.46 0.55 0.00 -1.26 -4.97 105.19 102.26 2d9f n GLY 30 Ca 0.10 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2d9f n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9f s SER 31 N -6.39 0.59 -0.28 1.61 1.04 -1.10 -5.07 113.70 104.11 2d9f s SER 31 Ca -0.19 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.36 2d9f s SER 31 Cb 0.07 -2.06 0.09 0.00 0.10 0.00 0.00 66.02 64.22 2d9f s SER 31 CO 0.75 -4.41 0.83 -0.94 0.98 0.00 0.00 173.24 170.44 2d9f s SER 32 N -2.68 -0.68 0.15 7.02 1.04 -1.26 -4.93 113.70 112.35 2d9f s SER 32 Ca 0.68 1.24 -0.28 0.00 0.48 0.00 0.00 55.95 58.08 2d9f s SER 32 Cb -0.23 1.27 -0.16 0.00 0.10 0.00 0.00 66.02 67.00 2d9f s SER 32 CO 0.63 -0.21 0.57 0.54 0.98 0.00 0.00 173.24 175.75 2d9f n ARG 33 N 3.00 0.00 -0.28 4.02 1.74 -1.26 -3.97 116.66 119.91 2d9f n ARG 33 Ca -0.15 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.85 2d9f n ARG 33 Cb 0.56 -1.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.07 2d9f n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d9f n PRO 34 N 1.00 -1.60 -4.34 5.56 -0.04 -1.26 -4.93 135.00 129.40 2d9f n PRO 34 Ca 0.17 -0.47 -0.24 0.00 -0.04 0.00 0.00 63.50 62.91 2d9f n PRO 34 Cb 0.20 -0.44 -0.08 0.00 -0.04 0.00 0.00 33.50 33.13 2d9f n PRO 34 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d9f s VAL 35 N -1.54 3.14 -0.30 0.52 0.11 -1.26 -4.98 120.40 116.10 2d9f s VAL 35 Ca 0.19 -1.97 -0.20 0.00 -2.93 0.00 0.00 61.98 57.07 2d9f s VAL 35 Cb -0.02 -2.64 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 2d9f s VAL 35 CO 0.15 -0.31 0.60 -0.75 -3.33 0.00 0.00 175.10 171.46 2d9f s LYS 36 N -3.41 3.92 0.00 1.54 2.20 -1.26 -3.94 119.74 118.78 2d9f s LYS 36 Ca 0.29 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 2d9f s LYS 36 Cb -0.07 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2d9f s LYS 36 CO 0.17 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 2d9f n GLY 37 N 4.43 1.12 3.81 5.54 0.00 -0.21 -4.90 105.19 114.97 2d9f n GLY 37 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2d9f n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9f s GLN 38 N 0.00 2.36 -0.58 1.61 -0.21 -1.25 -4.85 119.66 116.74 2d9f s GLN 38 Ca 0.00 -1.72 -0.26 0.00 0.02 0.00 0.00 55.36 53.40 2d9f s GLN 38 Cb 0.00 -2.16 0.04 0.00 1.00 0.00 0.00 33.01 31.89 2d9f s GLN 38 CO 0.00 -0.17 1.07 0.08 -2.12 0.00 0.00 175.29 174.15 2d9f s VAL 39 N -2.55 4.18 -0.20 1.09 1.01 0.41 -3.07 120.40 121.27 2d9f s VAL 39 Ca 0.44 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.86 2d9f s VAL 39 Cb 0.01 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2d9f s VAL 39 CO 0.25 -1.27 0.09 0.68 0.00 0.00 0.00 175.10 174.85 2d9f s VAL 40 N 4.50 4.98 -0.25 2.92 -7.23 -0.97 -1.29 120.40 123.06 2d9f s VAL 40 Ca 0.36 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.53 2d9f s VAL 40 Cb -0.10 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.58 2d9f s VAL 40 CO 0.21 0.43 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.52 2d9f s THR 41 N 0.53 3.28 0.35 5.32 2.01 -0.59 -2.76 115.64 123.78 2d9f s THR 41 Ca 0.05 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.31 2d9f s THR 41 Cb -0.12 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 2d9f s THR 41 CO 0.00 0.23 0.19 1.33 -0.69 0.00 0.00 174.62 175.69 2d9f n VAL 42 N 4.75 0.00 -4.01 3.82 0.24 0.68 -2.37 118.33 121.43 2d9f n VAL 42 Ca -0.16 -2.26 -0.31 0.00 -2.04 0.00 0.00 64.34 59.57 2d9f n VAL 42 Cb 0.48 0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 33.66 2d9f n VAL 42 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2d9f s HIS 43 N -3.12 3.72 -0.15 6.34 2.46 -1.16 -0.31 115.29 123.07 2d9f s HIS 43 Ca 0.27 -2.98 -0.08 0.00 0.47 0.00 0.00 55.06 52.74 2d9f s HIS 43 Cb 0.01 -2.90 -0.04 0.00 -0.13 0.00 0.00 32.58 29.52 2d9f s HIS 43 CO 0.19 -0.95 0.15 -1.17 -2.47 0.00 0.00 174.74 170.49 2d9f s LEU 44 N 0.91 4.32 -0.14 8.88 1.98 -1.04 -3.66 118.68 129.93 2d9f s LEU 44 Ca 0.11 0.40 -0.02 0.00 -2.89 0.00 0.00 54.13 51.73 2d9f s LEU 44 Cb -0.19 -2.10 0.05 0.00 0.66 0.00 0.00 46.19 44.61 2d9f s LEU 44 CO -0.08 0.32 0.02 -1.10 -1.89 0.00 0.00 176.35 173.61 2d9f s GLN 45 N -0.50 0.67 -0.09 1.98 -0.21 -1.25 -2.03 119.66 118.24 2d9f s GLN 45 Ca 0.13 -0.21 -0.17 0.00 0.02 0.00 0.00 55.36 55.12 2d9f s GLN 45 Cb -0.12 -1.66 -0.05 0.00 1.00 0.00 0.00 33.01 32.19 2d9f s GLN 45 CO 0.02 -0.50 0.46 0.99 -2.12 0.00 0.00 175.29 174.14 2d9f s THR 46 N 1.90 5.14 -0.11 -0.19 2.01 -0.58 -3.56 115.64 120.25 2d9f s THR 46 Ca 0.02 0.93 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 2d9f s THR 46 Cb -0.15 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2d9f s THR 46 CO -0.07 0.39 0.34 -0.44 -0.69 0.00 0.00 174.62 174.15 2d9f s SER 47 N 0.20 -0.33 0.53 3.53 0.01 -0.93 -1.18 113.70 115.53 2d9f s SER 47 Ca 0.25 0.59 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 2d9f s SER 47 Cb -0.16 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 2d9f s SER 47 CO 0.11 -0.18 1.24 -0.76 0.41 0.00 0.00 173.24 174.06 2d9f s LEU 48 N -0.08 3.85 0.44 2.44 2.01 -0.86 -0.41 118.68 126.06 2d9f s LEU 48 Ca -0.02 2.47 0.25 0.00 0.01 0.00 0.00 54.13 56.84 2d9f s LEU 48 Cb -0.03 -4.37 1.27 0.00 0.01 0.00 0.00 46.19 43.07 2d9f s LEU 48 CO 0.01 -1.33 1.74 -0.08 1.01 0.00 0.00 176.35 177.70 2d9f h GLU 49 N 1.49 0.24 -0.03 1.70 4.81 -1.93 0.94 114.58 121.80 2d9f h GLU 49 Ca -0.50 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2d9f h GLU 49 Cb 1.28 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2d9f h GLU 49 CO 0.58 0.16 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.09 2d9f h ASN 50 N 0.25 0.07 0.00 1.04 2.35 -1.93 -3.47 115.58 113.88 2d9f h ASN 50 Ca 0.64 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2d9f h ASN 50 Cb 1.92 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.27 2d9f h ASN 50 CO -0.27 0.50 0.00 0.61 -1.65 0.00 0.00 177.43 176.62 2d9f n GLY 51 N 0.11 0.00 3.10 2.83 0.00 0.32 -5.12 105.19 106.43 2d9f n GLY 51 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2d9f n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9f s THR 52 N 0.00 3.52 -0.14 2.61 2.01 -1.24 -4.87 115.64 117.53 2d9f s THR 52 Ca 0.00 -2.68 -0.33 0.00 0.31 0.00 0.00 61.69 58.99 2d9f s THR 52 Cb 0.00 -3.34 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 2d9f s THR 52 CO 0.00 -0.81 1.98 0.54 -0.69 0.00 0.00 174.62 175.64 2d9f n ARG 53 N 3.83 2.02 -0.09 4.92 1.74 -1.26 -2.03 116.66 125.79 2d9f n ARG 53 Ca 0.04 0.70 -0.18 0.00 -0.77 0.00 0.00 57.85 57.64 2d9f n ARG 53 Cb 0.39 -2.72 -0.11 0.00 -1.02 0.00 0.00 32.46 29.00 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f h VAL 54 N 5.95 1.09 -3.52 1.55 2.07 -1.51 -3.48 116.25 118.39 2d9f h VAL 54 Ca -0.44 -2.13 -0.21 0.00 0.82 0.00 0.00 66.70 64.74 2d9f h VAL 54 Cb 1.27 2.37 -0.27 0.00 -1.52 0.00 0.00 31.29 33.14 2d9f h VAL 54 CO 0.96 0.37 -0.62 0.00 0.02 0.00 0.00 177.57 178.30 2d9f s GLN 55 N -2.30 0.10 -0.32 1.57 -2.07 -1.17 -4.86 119.66 110.61 2d9f s GLN 55 Ca -0.25 0.12 0.02 0.00 -1.82 0.00 0.00 55.36 53.44 2d9f s GLN 55 Cb 0.03 0.04 0.10 0.00 -1.09 0.00 0.00 33.01 32.09 2d9f s GLN 55 CO 0.58 -0.02 0.06 -2.00 -1.32 0.00 0.00 175.29 172.59 2d9f s GLU 56 N 0.07 1.23 -0.46 9.60 2.12 -1.26 -1.52 118.70 128.49 2d9f s GLU 56 Ca -0.00 -1.51 -0.10 0.00 0.36 0.00 0.00 54.97 53.71 2d9f s GLU 56 Cb -0.01 -2.72 0.10 0.00 0.26 0.00 0.00 34.13 31.76 2d9f s GLU 56 CO -0.00 -0.92 0.33 -2.00 -0.54 0.00 0.00 175.26 172.13 2d9f s GLU 57 N 1.20 2.63 -0.00 4.30 2.12 -0.86 -4.95 118.70 123.13 2d9f s GLU 57 Ca 0.09 -1.59 -0.24 0.00 0.36 0.00 0.00 54.97 53.59 2d9f s GLU 57 Cb -0.18 -3.92 -0.18 0.00 0.26 0.00 0.00 34.13 30.10 2d9f s GLU 57 CO -0.14 -1.09 1.29 -1.00 -0.54 0.00 0.00 175.26 173.78 2d9f h PRO 58 N 8.51 0.12 -3.02 4.30 0.13 -1.88 -2.75 132.00 137.40 2d9f h PRO 58 Ca -0.23 -0.06 -0.72 0.00 -0.87 0.00 0.00 66.00 64.12 2d9f h PRO 58 Cb 1.08 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 2d9f h PRO 58 CO 0.84 0.57 0.07 -1.91 -0.23 0.00 0.00 178.00 177.34 2d9f n GLU 59 N -4.76 3.14 -2.97 0.86 2.13 -1.26 -4.16 120.64 113.62 2d9f n GLU 59 Ca -0.08 -4.54 -0.41 0.00 0.66 0.00 0.00 57.16 52.80 2d9f n GLU 59 Cb 0.29 -2.42 -0.04 0.00 0.27 0.00 0.00 31.44 29.53 2d9f n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2d9f s LEU 60 N -1.94 4.22 0.05 4.31 1.98 0.57 -4.94 118.68 122.95 2d9f s LEU 60 Ca 0.31 1.15 0.05 0.00 -2.89 0.00 0.00 54.13 52.75 2d9f s LEU 60 Cb -0.00 -3.15 -0.03 0.00 0.66 0.00 0.00 46.19 43.68 2d9f s LEU 60 CO -0.05 -0.28 -0.14 0.54 -1.89 0.00 0.00 176.35 174.53 2d9f s VAL 61 N 1.63 1.08 0.15 1.68 0.11 -1.26 -0.23 120.40 123.56 2d9f s VAL 61 Ca 0.37 -1.15 -0.24 0.00 -2.93 0.00 0.00 61.98 58.03 2d9f s VAL 61 Cb -0.17 -1.02 0.07 0.00 -1.53 0.00 0.00 36.38 33.74 2d9f s VAL 61 CO 0.15 -0.12 1.01 0.72 -3.33 0.00 0.00 175.10 173.52 2d9f s PHE 62 N -1.07 -0.06 -0.74 1.54 -0.12 -1.11 -5.02 117.98 111.40 2d9f s PHE 62 Ca -0.01 -0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 2d9f s PHE 62 Cb -0.09 0.66 0.19 0.00 -0.63 0.00 0.00 43.02 43.15 2d9f s PHE 62 CO 0.02 -0.83 0.63 0.99 -0.05 0.00 0.00 175.22 175.97 2d9f s THR 63 N -2.87 4.72 0.17 -4.49 2.01 -1.26 -2.29 115.64 111.63 2d9f s THR 63 Ca 0.15 -2.77 -0.26 0.00 0.31 0.00 0.00 61.69 59.12 2d9f s THR 63 Cb -0.01 -3.97 -0.16 0.00 0.01 0.00 0.00 72.50 68.37 2d9f s THR 63 CO 0.03 -0.97 0.50 -0.11 -0.69 0.00 0.00 174.62 173.39 2d9f n LEU 64 N 3.66 -1.08 0.00 4.42 7.94 -1.17 -2.07 117.00 128.70 2d9f n LEU 64 Ca 0.12 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 2d9f n LEU 64 Cb 0.42 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.51 2d9f n LEU 64 CO 0.34 -2.67 0.00 0.61 -1.11 0.00 0.00 177.39 174.55 2d9f n GLY 65 N 1.80 2.58 0.28 -3.96 0.00 -1.26 -1.04 105.19 103.58 2d9f n GLY 65 Ca 0.17 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.90 2d9f n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d9f n ASP 66 N 0.30 1.10 -4.08 1.61 -0.08 -0.88 -4.95 116.55 109.57 2d9f n ASP 66 Ca 0.00 -0.97 -0.30 0.00 -1.51 0.00 0.00 54.79 52.01 2d9f n ASP 66 Cb 0.00 0.12 -0.02 0.00 2.34 0.00 0.00 41.12 43.56 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d9f n ASP 68 N -2.84 0.50 -4.47 0.00 8.00 -1.26 -4.79 116.55 111.69 2d9f n ASP 68 Ca -0.13 0.60 -0.25 0.00 0.71 0.00 0.00 54.79 55.73 2d9f n ASP 68 Cb 0.59 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 2d9f n ASP 68 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2d9f n VAL 69 N -2.03 0.00 -1.44 2.53 0.24 -1.26 -5.08 118.33 111.28 2d9f n VAL 69 Ca 0.03 -1.99 -0.41 0.00 -2.04 0.00 0.00 64.34 59.94 2d9f n VAL 69 Cb 0.26 0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.70 2d9f n VAL 69 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2d9f n ILE 70 N -1.50 1.73 0.42 1.34 2.08 -1.26 -4.70 119.36 117.48 2d9f n ILE 70 Ca -0.06 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.86 2d9f n ILE 70 Cb 0.56 -0.53 0.46 0.00 -0.75 0.00 0.00 39.64 39.37 2d9f n ILE 70 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2d9f n GLN 71 N 0.52 0.16 0.00 0.38 6.02 -0.97 -1.75 117.38 121.75 2d9f n GLN 71 Ca 0.11 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.60 2d9f n GLN 71 Cb 0.42 -1.81 0.07 0.00 1.02 0.00 0.00 30.24 29.95 2d9f n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d9f n ALA 72 N -1.73 4.12 -0.13 -1.58 0.00 -1.25 -3.36 120.51 116.58 2d9f n ALA 72 Ca 0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 2d9f n ALA 72 Cb 0.22 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 2d9f n ALA 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2d9f n LEU 73 N -1.51 2.46 0.19 0.00 7.94 -0.80 -4.05 117.00 121.23 2d9f n LEU 73 Ca 0.05 0.08 0.06 0.00 -1.11 0.00 0.00 56.01 55.09 2d9f n LEU 73 Cb 0.33 -0.82 0.34 0.00 0.53 0.00 0.00 43.42 43.81 2d9f n LEU 73 CO 0.39 0.74 0.69 -0.78 -1.11 0.00 0.00 177.39 177.32 2d9f h ASP 74 N -0.44 0.00 0.04 1.96 1.82 -1.54 0.13 116.42 118.39 2d9f h ASP 74 Ca -0.60 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2d9f h ASP 74 Cb 1.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.74 2d9f h ASP 74 CO -0.23 0.35 -0.03 0.18 -1.61 0.00 0.00 179.24 177.90 2d9f n LEU 75 N -3.49 1.04 -0.03 2.28 4.32 -1.22 -3.95 117.00 115.96 2d9f n LEU 75 Ca -0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 56.01 55.63 2d9f n LEU 75 Cb 0.51 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.25 2d9f n LEU 75 CO 0.36 0.18 -0.67 -1.54 -1.22 0.00 0.00 177.39 174.50 2d9f n SER 76 N -0.24 3.72 -0.16 -1.43 3.41 -0.99 -4.65 113.62 113.28 2d9f n SER 76 Ca 0.19 -0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.75 2d9f n SER 76 Cb 0.29 0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2d9f n SER 76 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9f h VAL 77 N 0.00 0.37 0.00 -3.33 2.07 -1.10 0.54 116.25 114.80 2d9f h VAL 77 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2d9f h VAL 77 Cb 1.24 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2d9f h VAL 77 CO -0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.77 2d9f n PRO 78 N -5.40 0.49 -0.06 1.57 -0.04 -1.26 -2.33 135.00 127.97 2d9f n PRO 78 Ca 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2d9f n PRO 78 Cb 0.31 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2d9f n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2d9f n LEU 79 N -0.82 0.12 -4.90 1.53 4.77 0.18 -4.88 117.00 112.99 2d9f n LEU 79 Ca 0.07 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 2d9f n LEU 79 Cb 0.03 0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2d9f n LEU 79 CO 0.06 0.30 0.06 0.00 -1.33 0.00 0.00 177.39 176.47 2d9f s MET 80 N -2.27 3.60 0.52 3.23 0.23 -0.45 -4.99 119.30 119.17 2d9f s MET 80 Ca -0.06 -0.12 -0.04 0.00 -1.03 0.00 0.00 55.69 54.43 2d9f s MET 80 Cb 0.03 -2.81 -0.01 0.00 -1.53 0.00 0.00 34.83 30.51 2d9f s MET 80 CO 0.46 0.41 0.80 -0.51 -2.03 0.00 0.00 175.02 174.15 2d9f s ASP 81 N -2.71 5.89 -0.22 -1.18 1.11 -1.26 -4.34 116.67 113.95 2d9f s ASP 81 Ca 0.41 0.69 -0.29 0.00 0.18 0.00 0.00 52.55 53.54 2d9f s ASP 81 Cb -0.12 -1.87 -0.03 0.00 1.07 0.00 0.00 42.92 41.98 2d9f s ASP 81 CO 0.26 -0.80 1.67 0.54 1.18 0.00 0.00 175.17 178.02 2d9f s VAL 82 N -2.80 3.63 0.00 -1.27 0.11 -1.25 -2.32 120.40 116.49 2d9f s VAL 82 Ca 0.50 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.25 2d9f s VAL 82 Cb -0.10 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2d9f s VAL 82 CO 0.43 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 2d9f n GLY 83 N 4.77 1.16 3.34 6.54 0.00 0.58 -4.65 105.19 116.93 2d9f n GLY 83 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2d9f n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9f s GLU 84 N -0.66 3.01 -0.36 1.61 2.12 -0.98 -4.09 118.70 119.34 2d9f s GLU 84 Ca 0.00 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.40 2d9f s GLU 84 Cb 0.00 -2.43 -0.00 0.00 0.26 0.00 0.00 34.13 31.96 2d9f s GLU 84 CO 0.00 0.31 0.37 0.99 -0.54 0.00 0.00 175.26 176.39 2d9f s THR 85 N 0.06 5.16 -0.00 -1.70 2.01 0.15 -3.36 115.64 117.96 2d9f s THR 85 Ca -0.07 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2d9f s THR 85 Cb -0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2d9f s THR 85 CO 0.05 -0.17 -0.19 0.00 -0.69 0.00 0.00 174.62 173.62 2d9f s ALA 86 N 2.03 1.58 0.06 7.40 0.00 -0.33 0.11 121.76 132.62 2d9f s ALA 86 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2d9f s ALA 86 Cb -0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2d9f s ALA 86 CO 0.12 0.38 0.15 1.41 0.00 0.00 0.00 175.76 177.82 2d9f s MET 87 N -0.58 3.21 -0.05 0.00 -2.45 -0.89 -0.46 119.30 118.08 2d9f s MET 87 Ca 0.07 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 2d9f s MET 87 Cb -0.08 -2.91 0.01 0.00 1.25 0.00 0.00 34.83 33.11 2d9f s MET 87 CO -0.00 0.60 -0.09 0.14 1.05 0.00 0.00 175.02 176.71 2d9f s VAL 88 N -1.45 0.84 -0.31 10.11 -7.23 0.85 -1.07 120.40 122.14 2d9f s VAL 88 Ca 0.32 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2d9f s VAL 88 Cb -0.13 -0.78 0.10 0.00 0.56 0.00 0.00 36.38 36.13 2d9f s VAL 88 CO 0.25 0.28 0.07 0.42 -0.31 0.00 0.00 175.10 175.81 2d9f s THR 89 N 0.58 1.29 0.31 5.32 -4.23 -1.03 -1.79 115.64 116.09 2d9f s THR 89 Ca -0.10 -1.62 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2d9f s THR 89 Cb -0.13 -1.93 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 2d9f s THR 89 CO 0.02 -0.60 -0.05 0.00 -0.54 0.00 0.00 174.62 173.44 2d9f s ALA 90 N 1.42 2.59 0.39 3.99 0.00 -1.24 -2.62 121.76 126.28 2d9f s ALA 90 Ca 0.09 -2.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.78 2d9f s ALA 90 Cb -0.18 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 2d9f s ALA 90 CO -0.19 -0.05 1.23 0.34 0.00 0.00 0.00 175.76 177.09 2d9f s ASP 91 N -3.52 6.51 0.34 0.00 2.15 -1.26 -3.75 116.67 117.13 2d9f s ASP 91 Ca 0.31 2.49 0.25 0.00 0.43 0.00 0.00 52.55 56.03 2d9f s ASP 91 Cb 0.04 -2.63 1.13 0.00 -0.30 0.00 0.00 42.92 41.16 2d9f s ASP 91 CO 0.14 -0.70 1.17 -0.24 -0.17 0.00 0.00 175.17 175.37 2d9f n SER 92 N 0.22 0.15 -0.25 -0.34 2.88 -1.25 0.88 113.62 115.91 2d9f n SER 92 Ca 0.03 1.02 0.01 0.00 -1.33 0.00 0.00 58.87 58.60 2d9f n SER 92 Cb 0.45 -0.50 0.08 0.00 -0.75 0.00 0.00 64.21 63.49 2d9f n SER 92 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2d9f h LYS 93 N 0.00 0.00 0.00 -1.46 2.10 -1.89 0.48 116.57 115.81 2d9f h LYS 93 Ca 0.66 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.23 2d9f h LYS 93 Cb 2.17 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.49 2d9f h LYS 93 CO -0.33 0.00 -0.40 1.88 -2.00 0.00 0.00 179.45 178.60 2d9f h TYR 94 N 0.00 0.00 0.02 0.07 0.05 0.15 -3.08 116.97 114.19 2d9f h TYR 94 Ca 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.13 2d9f h TYR 94 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2d9f h TYR 94 CO -0.58 0.40 -0.01 0.00 -1.05 0.00 0.00 178.16 176.93 2d9f n TYR 96 N -2.16 0.00 0.00 0.00 4.01 0.12 -4.48 117.16 114.64 2d9f n TYR 96 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d9f n TYR 96 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d9f n GLY 97 N 1.89 3.36 0.00 2.72 0.00 0.49 -4.68 105.19 108.97 2d9f n GLY 97 Ca 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.17 2d9f n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9f n PRO 98 N -1.17 0.48 -0.07 1.61 -0.04 -1.26 -2.25 135.00 132.30 2d9f n PRO 98 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2d9f n PRO 98 Cb 0.00 -1.45 -0.15 0.00 -0.04 0.00 0.00 33.50 31.85 2d9f n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9f n GLN 99 N -0.95 0.68 0.00 0.54 10.64 -1.26 -4.54 117.38 122.48 2d9f n GLN 99 Ca 0.11 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2d9f n GLN 99 Cb 0.05 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 2d9f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2d9f n GLY 100 N 1.66 0.98 3.53 2.61 0.00 -0.95 -4.74 105.19 108.27 2d9f n GLY 100 Ca -0.27 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.24 2d9f n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9f s SER 101 N 0.00 2.86 0.24 1.61 0.15 -1.15 -4.62 113.70 112.79 2d9f s SER 101 Ca 0.00 -1.53 0.07 0.00 0.70 0.00 0.00 55.95 55.18 2d9f s SER 101 Cb 0.00 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2d9f s SER 101 CO 0.00 -0.76 0.20 -0.13 1.20 0.00 0.00 173.24 173.75 2d9f s ARG 102 N -3.81 2.97 -0.25 5.44 1.81 -1.26 -3.67 118.95 120.18 2d9f s ARG 102 Ca 0.27 -1.00 -0.22 0.00 -1.72 0.00 0.00 55.73 53.06 2d9f s ARG 102 Cb 0.05 -2.61 -0.10 0.00 -0.45 0.00 0.00 34.95 31.85 2d9f s ARG 102 CO 0.14 0.42 1.06 0.43 -0.68 0.00 0.00 175.30 176.66 2d9f n SER 103 N -1.08 0.40 -4.71 0.23 7.64 -1.26 -3.18 113.62 111.67 2d9f n SER 103 Ca -0.08 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.75 2d9f n SER 103 Cb 0.57 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 2d9f n SER 103 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2d9f s PRO 104 N 2.89 4.31 0.46 1.43 0.04 -1.26 -5.13 135.00 137.73 2d9f s PRO 104 Ca 0.60 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.45 2d9f s PRO 104 Cb -0.76 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 30.34 2d9f s PRO 104 CO 0.34 -0.47 1.08 -0.47 0.04 0.00 0.00 177.00 177.52 2d9f s TYR 105 N 1.51 3.02 -0.03 0.56 6.14 -1.19 -4.80 117.35 122.56 2d9f s TYR 105 Ca 0.64 1.59 -0.02 0.00 0.64 0.00 0.00 57.07 59.92 2d9f s TYR 105 Cb -0.35 -3.17 0.01 0.00 0.42 0.00 0.00 41.96 38.87 2d9f s TYR 105 CO 0.29 -0.97 0.07 0.96 0.64 0.00 0.00 175.55 176.53 2d9f s ILE 106 N -1.77 -0.00 0.45 3.14 -5.25 -1.24 -4.93 121.20 111.59 2d9f s ILE 106 Ca 0.64 0.01 -0.23 0.00 -0.99 0.00 0.00 60.65 60.08 2d9f s ILE 106 Cb -0.21 -0.10 -0.08 0.00 2.95 0.00 0.00 42.46 45.02 2d9f s ILE 106 CO 0.26 0.01 1.17 -2.16 -1.79 0.00 0.00 174.94 172.42 2d9f s PRO 107 N 0.10 3.82 0.65 0.37 0.04 -1.26 -2.93 135.00 135.79 2d9f s PRO 107 Ca -0.01 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2d9f s PRO 107 Cb -0.01 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 2d9f s PRO 107 CO -0.00 -0.51 1.11 -1.25 0.04 0.00 0.00 177.00 176.40 2d9f s PRO 108 N -2.61 2.86 -1.05 0.56 0.04 -1.26 -3.24 135.00 130.31 2d9f s PRO 108 Ca 0.62 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2d9f s PRO 108 Cb -0.29 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2d9f s PRO 108 CO 0.36 -1.21 0.00 0.72 0.04 0.00 0.00 177.00 176.91 2d9f n HIS 109 N -2.29 -1.40 -3.75 0.56 8.25 -1.26 -4.92 115.22 110.42 2d9f n HIS 109 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 2d9f n HIS 109 Cb 0.52 -2.73 -0.12 0.00 1.12 0.00 0.00 29.99 28.78 2d9f n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d9f s ALA 110 N -2.59 3.09 0.77 -1.41 0.00 -1.20 -4.76 121.76 115.65 2d9f s ALA 110 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 51.96 49.81 2d9f s ALA 110 Cb 0.00 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2d9f s ALA 110 CO 0.00 -1.49 0.67 0.00 0.00 0.00 0.00 175.76 174.94 2d9f n ALA 111 N 4.76 -1.28 -3.42 0.00 0.00 -1.26 -3.74 120.51 115.57 2d9f n ALA 111 Ca -0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 2d9f n ALA 111 Cb 0.43 -1.94 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 2d9f n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d9f s LEU 112 N -1.55 0.45 -0.09 0.00 1.43 -1.25 -3.78 118.68 113.90 2d9f s LEU 112 Ca 0.66 0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 2d9f s LEU 112 Cb -0.32 1.17 -0.03 0.00 0.03 0.00 0.00 46.19 47.04 2d9f s LEU 112 CO 0.57 -0.14 0.70 0.00 0.23 0.00 0.00 176.35 177.71 2d9f s LEU 114 N 0.99 1.45 -0.40 0.00 1.43 -0.74 -2.19 118.68 119.22 2d9f s LEU 114 Ca 0.37 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 2d9f s LEU 114 Cb -0.17 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2d9f s LEU 114 CO 0.17 -0.14 0.32 -0.70 0.23 0.00 0.00 176.35 176.23 2d9f s GLU 115 N 1.64 3.05 -0.04 1.70 2.12 -1.23 -0.11 118.70 125.84 2d9f s GLU 115 Ca 0.03 -0.93 -0.17 0.00 0.36 0.00 0.00 54.97 54.26 2d9f s GLU 115 Cb -0.14 -3.96 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 2d9f s GLU 115 CO -0.08 -0.73 0.46 0.08 -0.54 0.00 0.00 175.26 174.45 2d9f s VAL 116 N 1.76 5.05 -0.33 3.70 1.01 0.40 -3.85 120.40 128.14 2d9f s VAL 116 Ca 0.06 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 2d9f s VAL 116 Cb -0.18 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.52 2d9f s VAL 116 CO 0.11 0.47 0.14 -0.89 0.00 0.00 0.00 175.10 174.92 2d9f s THR 117 N -0.35 0.60 -0.51 3.92 2.01 -1.24 -1.19 115.64 118.89 2d9f s THR 117 Ca 0.25 -1.43 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 2d9f s THR 117 Cb -0.16 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2d9f s THR 117 CO 0.13 -0.76 1.87 -0.22 -0.69 0.00 0.00 174.62 174.94 2d9f s LEU 118 N 1.50 3.38 -0.14 4.42 1.98 -1.21 -2.99 118.68 125.62 2d9f s LEU 118 Ca 0.12 0.72 -0.09 0.00 -2.89 0.00 0.00 54.13 51.99 2d9f s LEU 118 Cb -0.19 -2.87 -0.05 0.00 0.66 0.00 0.00 46.19 43.75 2d9f s LEU 118 CO -0.21 -2.18 -0.05 0.11 -1.89 0.00 0.00 176.35 172.13 2d9f h LYS 119 N 14.53 0.00 -2.91 1.98 1.79 -1.83 0.17 116.57 130.29 2d9f h LYS 119 Ca -0.28 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.07 2d9f h LYS 119 Cb 1.17 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 2d9f h LYS 119 CO 1.15 0.13 -0.24 0.95 -1.08 0.00 0.00 179.45 180.37 2d9f s THR 120 N -2.05 0.04 -0.22 -0.16 -4.23 -1.20 -4.50 115.64 103.32 2d9f s THR 120 Ca -0.12 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2d9f s THR 120 Cb 0.02 -0.63 0.07 0.00 1.34 0.00 0.00 72.50 73.29 2d9f s THR 120 CO 0.21 -0.19 0.03 0.00 -0.54 0.00 0.00 174.62 174.13 2d9f s ALA 121 N -1.01 1.29 0.27 3.99 0.00 -1.26 -1.55 121.76 123.49 2d9f s ALA 121 Ca -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2d9f s ALA 121 Cb -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2d9f s ALA 121 CO 0.04 -1.26 0.16 0.14 0.00 0.00 0.00 175.76 174.84 2d9f s VAL 122 N 1.72 0.20 -0.01 0.00 -7.23 -0.41 -4.95 120.40 109.73 2d9f s VAL 122 Ca -0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2d9f s VAL 122 Cb -0.17 -2.52 -0.27 0.00 0.56 0.00 0.00 36.38 33.97 2d9f s VAL 122 CO -0.10 0.00 0.82 -0.78 -0.31 0.00 0.00 175.10 174.73 2d9f h ASP 123 N 2.35 0.35 -3.90 4.85 1.82 -1.93 1.18 116.42 121.15 2d9f h ASP 123 Ca -0.34 -0.51 -0.55 0.00 -0.39 0.00 0.00 57.03 55.25 2d9f h ASP 123 Cb 1.25 -0.11 0.12 0.00 0.68 0.00 0.00 39.33 41.26 2d9f h ASP 123 CO 0.51 1.43 0.71 0.54 -1.61 0.00 0.00 179.24 180.82 2d9f n ARG 124 N -3.42 2.37 -1.22 0.28 1.74 -1.26 -4.37 116.66 110.78 2d9f n ARG 124 Ca -0.17 0.84 -0.30 0.00 -0.77 0.00 0.00 57.85 57.45 2d9f n ARG 124 Cb 1.04 -2.62 0.12 0.00 -1.02 0.00 0.00 32.46 29.99 2d9f n ARG 124 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d9f s PRO 125 N -2.29 1.54 0.00 5.56 0.04 -1.26 -4.74 135.00 133.84 2d9f s PRO 125 Ca 0.58 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2d9f s PRO 125 Cb -0.47 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2d9f s PRO 125 CO 0.60 -2.07 0.00 -3.47 0.04 0.00 0.00 177.00 172.10 2d9f n ASP 126 N -3.78 1.92 -4.56 6.66 -0.08 -1.26 -4.96 116.55 110.48 2d9f n ASP 126 Ca 0.08 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.95 2d9f n ASP 126 Cb 0.55 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2d9f s LEU 127 N -5.34 3.27 -0.38 -2.67 2.96 -1.26 -4.97 118.68 110.28 2d9f s LEU 127 Ca 0.00 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 2d9f s LEU 127 Cb 0.00 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 44.01 2d9f s LEU 127 CO 0.00 -1.93 0.24 -1.61 -1.32 0.00 0.00 176.35 171.72 2d9f s GLU 128 N 5.99 2.90 -0.34 1.98 0.41 -1.26 -4.95 118.70 123.43 2d9f s GLU 128 Ca 0.48 -1.04 0.06 0.00 -0.41 0.00 0.00 54.97 54.06 2d9f s GLU 128 Cb -0.10 -3.81 0.45 0.00 -1.78 0.00 0.00 34.13 28.90 2d9f s GLU 128 CO 0.19 -0.70 1.25 -0.12 -0.49 0.00 0.00 175.26 175.39 2d9f n MET 129 N 5.05 3.52 -2.29 1.61 1.56 -1.26 -5.06 117.12 120.25 2d9f n MET 129 Ca -0.12 -4.15 -0.32 0.00 -0.27 0.00 0.00 57.70 52.84 2d9f n MET 129 Cb 0.46 -2.28 -0.02 0.00 2.15 0.00 0.00 33.22 33.54 2d9f n MET 129 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2d9f s SER 130 N -3.44 6.33 0.00 6.12 0.01 -1.26 -5.03 113.70 116.43 2d9f s SER 130 Ca 0.52 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.45 2d9f s SER 130 Cb 0.42 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2d9f s SER 130 CO -0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2d9f n GLY 131 N -1.30 4.53 3.77 3.44 0.00 -1.26 -5.13 105.19 109.23 2d9f n GLY 131 Ca 0.07 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2d9f n GLY 131 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9f s PRO 132 N -3.37 4.23 -0.18 1.61 0.04 -1.26 -5.04 135.00 131.03 2d9f s PRO 132 Ca 0.00 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2d9f s PRO 132 Cb 0.00 -2.88 0.11 0.00 0.04 0.00 0.00 34.50 31.77 2d9f s PRO 132 CO 0.00 -0.21 0.92 -1.12 0.04 0.00 0.00 177.00 176.63 2d9f s SER 133 N -0.88 -0.48 -1.56 6.66 0.01 -1.26 -4.96 113.70 111.24 2d9f s SER 133 Ca 0.53 0.67 -0.13 0.00 1.31 0.00 0.00 55.95 58.33 2d9f s SER 133 Cb -0.34 0.59 0.09 0.00 0.21 0.00 0.00 66.02 66.57 2d9f s SER 133 CO 0.44 -0.34 0.83 -1.20 0.41 0.00 0.00 173.24 173.37 2d9f n SER 134 N 1.29 -3.45 0.00 2.44 7.64 -1.26 -5.33 113.62 114.95 2d9f n SER 134 Ca -0.13 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2d9f n SER 134 Cb 0.57 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 2d9f n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64