#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f s SER 2 N 0.00 6.65 -0.16 1.61 0.15 -1.26 -4.96 113.70 115.74 2d9f s SER 2 Ca 0.00 -2.10 -0.12 0.00 0.70 0.00 0.00 55.95 54.43 2d9f s SER 2 Cb 0.00 -2.39 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2d9f s SER 2 CO 0.00 -1.03 0.40 -0.94 1.20 0.00 0.00 173.24 172.87 2d9f s SER 3 N 3.53 -0.45 0.00 5.45 1.04 -1.26 -5.12 113.70 116.90 2d9f s SER 3 Ca 0.32 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2d9f s SER 3 Cb -0.05 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2d9f s SER 3 CO -0.09 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2d9f n GLY 4 N 3.50 0.84 3.63 7.32 0.00 -1.26 -4.90 105.19 114.32 2d9f n GLY 4 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2d9f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9f s SER 5 N -1.00 6.69 -0.53 1.61 0.01 -1.26 -5.01 113.70 114.21 2d9f s SER 5 Ca 0.00 0.81 -0.01 0.00 1.31 0.00 0.00 55.95 58.06 2d9f s SER 5 Cb 0.00 -2.39 0.14 0.00 0.21 0.00 0.00 66.02 63.98 2d9f s SER 5 CO 0.00 -0.49 0.31 -0.55 0.41 0.00 0.00 173.24 172.93 2d9f s SER 6 N 1.46 5.03 0.57 2.44 0.15 -1.26 -5.09 113.70 117.00 2d9f s SER 6 Ca 0.31 -2.62 -0.01 0.00 0.70 0.00 0.00 55.95 54.33 2d9f s SER 6 Cb -0.15 -1.79 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2d9f s SER 6 CO 0.09 -0.39 0.82 -0.83 1.20 0.00 0.00 173.24 174.13 2d9f s GLY 7 N 0.80 1.77 -0.16 9.45 0.00 -1.26 -5.03 107.32 112.90 2d9f s GLY 7 Ca 0.14 -1.20 0.14 0.00 0.00 0.00 0.00 44.72 43.80 2d9f s GLY 7 CO -0.03 -0.90 1.19 -2.21 0.00 0.00 0.00 173.10 171.14 2d9f n GLU 8 N -2.45 1.26 0.05 2.90 2.13 -1.26 -4.75 120.64 118.52 2d9f n GLU 8 Ca 0.07 -2.88 0.01 0.00 0.66 0.00 0.00 57.16 55.02 2d9f n GLU 8 Cb 0.60 -1.36 0.33 0.00 0.27 0.00 0.00 31.44 31.28 2d9f n GLU 8 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2d9f h GLU 9 N 0.71 0.41 -5.92 5.31 9.09 -2.00 -3.44 114.58 118.75 2d9f h GLU 9 Ca -0.03 -0.09 -0.56 0.00 0.05 0.00 0.00 59.36 58.73 2d9f h GLU 9 Cb 1.12 -0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 28.09 2d9f h GLU 9 CO 0.01 0.49 -0.43 -1.58 0.05 0.00 0.00 179.01 177.55 2d9f s TRP 10 N -4.86 2.39 -0.14 2.06 0.52 -1.26 -4.94 118.94 112.71 2d9f s TRP 10 Ca -0.07 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.43 2d9f s TRP 10 Cb 0.15 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 2d9f s TRP 10 CO 0.75 -0.01 -0.20 -1.17 0.02 0.00 0.00 176.95 176.34 2d9f s LEU 11 N -4.03 2.21 -0.68 2.99 0.20 -0.82 -4.93 118.68 113.63 2d9f s LEU 11 Ca 0.39 -0.57 -0.27 0.00 0.69 0.00 0.00 54.13 54.37 2d9f s LEU 11 Cb 0.01 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.31 2d9f s LEU 11 CO 0.22 0.08 1.45 1.51 -0.29 0.00 0.00 176.35 179.32 2d9f s ASP 12 N 0.83 5.93 0.20 3.68 -4.77 -1.26 -0.71 116.67 120.57 2d9f s ASP 12 Ca -0.06 -0.12 -0.08 0.00 -3.30 0.00 0.00 52.55 48.98 2d9f s ASP 12 Cb -0.15 -2.55 0.14 0.00 -1.09 0.00 0.00 42.92 39.26 2d9f s ASP 12 CO -0.02 -1.95 1.76 0.40 0.70 0.00 0.00 175.17 176.06 2d9f h ILE 13 N 6.31 1.26 0.00 2.11 2.04 -1.59 -3.19 117.51 124.46 2d9f h ILE 13 Ca -0.27 -0.84 -0.34 0.00 1.00 0.00 0.00 64.86 64.41 2d9f h ILE 13 Cb 1.09 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 2d9f h ILE 13 CO 1.25 0.34 -2.11 0.18 0.00 0.00 0.00 178.15 177.80 2d9f n LEU 14 N -4.30 0.40 0.00 1.44 4.77 -1.25 -5.01 117.00 113.06 2d9f n LEU 14 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2d9f n LEU 14 Cb 0.20 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2d9f n LEU 14 CO 0.41 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2d9f n GLY 15 N 1.68 1.44 0.21 -0.72 0.00 -1.21 -4.91 105.19 101.67 2d9f n GLY 15 Ca -0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 1.26 0.36 0.00 1.61 -1.07 -1.93 -3.48 115.58 112.33 2d9f h ASN 16 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.22 2d9f h ASN 16 Cb 0.00 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.15 2d9f h ASN 16 CO 0.00 0.73 0.00 0.61 0.07 0.00 0.00 177.43 178.84 2d9f n GLY 17 N -0.14 1.38 0.03 9.14 0.00 -1.26 -5.00 105.19 109.34 2d9f n GLY 17 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.11 -8.47 0.99 -0.00 -1.92 -3.34 115.31 102.48 2d9f h LEU 18 Ca 0.00 0.01 -0.55 0.00 -0.00 0.00 0.00 57.88 57.34 2d9f h LEU 18 Cb 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 40.62 2d9f h LEU 18 CO 0.00 -0.03 1.00 -0.22 -0.00 0.00 0.00 178.44 179.19 2d9f s LEU 19 N -5.60 3.35 0.28 1.67 2.96 -1.26 -3.73 118.68 116.35 2d9f s LEU 19 Ca -0.01 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2d9f s LEU 19 Cb 0.00 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2d9f s LEU 19 CO 0.04 -1.64 0.03 -0.13 -1.32 0.00 0.00 176.35 173.32 2d9f s ARG 20 N 5.28 2.35 -0.02 1.98 0.52 -0.95 -1.44 118.95 126.66 2d9f s ARG 20 Ca 0.38 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 2d9f s ARG 20 Cb -0.08 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 2d9f s ARG 20 CO 0.20 0.32 -0.11 0.21 0.02 0.00 0.00 175.30 175.95 2d9f s LYS 21 N -3.71 1.03 -0.29 3.54 2.20 0.11 -1.87 119.74 120.75 2d9f s LYS 21 Ca 0.32 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 2d9f s LYS 21 Cb -0.06 -0.96 0.09 0.00 -1.51 0.00 0.00 37.83 35.39 2d9f s LYS 21 CO 0.21 0.17 0.09 0.21 -0.36 0.00 0.00 175.35 175.66 2d9f s LYS 22 N 0.03 0.70 -0.44 4.03 2.20 0.60 -1.94 119.74 124.93 2d9f s LYS 22 Ca -0.01 -0.95 -0.27 0.00 -0.36 0.00 0.00 55.97 54.38 2d9f s LYS 22 Cb -0.08 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2d9f s LYS 22 CO 0.00 -0.93 2.18 0.99 -0.36 0.00 0.00 175.35 177.23 2d9f s THR 23 N 1.67 3.14 0.05 3.43 2.01 -1.26 -0.36 115.64 124.32 2d9f s THR 23 Ca 0.08 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 2d9f s THR 23 Cb -0.17 -3.29 -0.17 0.00 0.01 0.00 0.00 72.50 68.88 2d9f s THR 23 CO -0.23 -0.25 1.25 -0.07 -0.69 0.00 0.00 174.62 174.63 2d9f h LEU 24 N 17.23 0.65 -6.86 4.42 3.38 -0.92 -3.44 115.31 129.77 2d9f h LEU 24 Ca -0.29 -0.63 -0.25 0.00 0.09 0.00 0.00 57.88 56.80 2d9f h LEU 24 Cb 1.23 -0.19 -0.33 0.00 0.09 0.00 0.00 40.66 41.45 2d9f h LEU 24 CO 1.11 1.17 -0.56 -0.69 0.09 0.00 0.00 178.44 179.56 2d9f s VAL 25 N -3.73 -0.41 0.67 1.22 1.01 0.48 -4.98 120.40 114.65 2d9f s VAL 25 Ca -0.12 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2d9f s VAL 25 Cb 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2d9f s VAL 25 CO 0.83 -0.08 1.11 -2.16 0.00 0.00 0.00 175.10 174.80 2d9f s PRO 26 N 2.40 2.75 0.59 2.72 0.04 -1.26 0.54 135.00 142.78 2d9f s PRO 26 Ca 0.06 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.52 2d9f s PRO 26 Cb -0.14 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2d9f s PRO 26 CO -0.12 -1.29 0.82 0.20 0.04 0.00 0.00 177.00 176.66 2d9f s GLY 27 N -2.64 1.80 0.87 0.56 0.00 -1.26 -4.75 107.32 101.90 2d9f s GLY 27 Ca 0.67 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 2d9f s GLY 27 CO 0.43 -1.34 1.09 2.56 0.00 0.00 0.00 173.10 175.84 2d9f s PRO 28 N -4.79 1.45 0.00 2.90 0.04 -1.26 -4.91 135.00 128.43 2d9f s PRO 28 Ca 0.61 0.89 0.15 0.00 0.04 0.00 0.00 61.00 62.69 2d9f s PRO 28 Cb -0.07 -1.83 0.86 0.00 0.04 0.00 0.00 34.50 33.50 2d9f s PRO 28 CO 0.40 -2.12 1.37 -0.35 0.04 0.00 0.00 177.00 176.33 2d9f n PRO 29 N -3.81 0.38 -0.04 0.56 -0.04 -1.26 -2.55 135.00 128.24 2d9f n PRO 29 Ca 0.07 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2d9f n PRO 29 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.98 3.48 0.55 0.00 -1.26 -4.95 105.19 101.99 2d9f n GLY 30 Ca 0.10 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.00 0.57 -0.29 1.61 1.04 -1.06 -5.07 113.70 104.50 2d9f s SER 31 Ca -0.06 1.13 -0.23 0.00 0.48 0.00 0.00 55.95 57.27 2d9f s SER 31 Cb 0.08 -1.71 0.14 0.00 0.10 0.00 0.00 66.02 64.62 2d9f s SER 31 CO 0.82 -4.40 1.10 -0.94 0.98 0.00 0.00 173.24 170.80 2d9f s SER 32 N -3.03 -0.38 0.15 7.02 1.04 -1.26 -4.91 113.70 112.33 2d9f s SER 32 Ca 0.68 0.70 -0.31 0.00 0.48 0.00 0.00 55.95 57.50 2d9f s SER 32 Cb -0.19 0.83 -0.18 0.00 0.10 0.00 0.00 66.02 66.58 2d9f s SER 32 CO 0.61 -0.12 0.73 0.54 0.98 0.00 0.00 173.24 175.98 2d9f n ARG 33 N 2.47 0.15 0.00 4.02 1.74 -1.26 -4.00 116.66 119.78 2d9f n ARG 33 Ca -0.14 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2d9f n ARG 33 Cb 0.56 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 1.17 0.19 -4.47 5.56 -0.04 -1.26 -4.96 135.00 131.19 2d9f n PRO 34 Ca 0.18 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 2d9f n PRO 34 Cb 0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.57 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 -0.40 2.49 -0.33 0.52 0.11 -1.26 -5.05 120.40 116.48 2d9f s VAL 35 Ca 0.00 -2.39 -0.20 0.00 -2.93 0.00 0.00 61.98 56.47 2d9f s VAL 35 Cb 0.00 -2.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.54 2d9f s VAL 35 CO 0.00 -0.39 0.59 -0.75 -3.33 0.00 0.00 175.10 171.22 2d9f s LYS 36 N -3.48 3.79 0.00 1.54 2.20 -1.26 -3.97 119.74 118.56 2d9f s LYS 36 Ca 0.30 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2d9f s LYS 36 Cb -0.05 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2d9f s LYS 36 CO 0.15 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2d9f n GLY 37 N 4.58 1.32 3.70 5.54 0.00 -0.86 -4.92 105.19 114.54 2d9f n GLY 37 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 2.24 -0.51 1.61 -0.21 -1.25 -4.87 119.66 116.67 2d9f s GLN 38 Ca 0.00 -1.68 -0.28 0.00 0.02 0.00 0.00 55.36 53.42 2d9f s GLN 38 Cb 0.00 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.98 2d9f s GLN 38 CO 0.00 0.07 1.27 0.08 -2.12 0.00 0.00 175.29 174.60 2d9f s VAL 39 N -2.49 4.00 -0.17 1.09 1.01 0.45 -3.20 120.40 121.08 2d9f s VAL 39 Ca 0.37 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 2d9f s VAL 39 Cb -0.00 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2d9f s VAL 39 CO 0.21 -1.08 0.03 0.68 0.00 0.00 0.00 175.10 174.94 2d9f s VAL 40 N 5.15 4.49 -0.22 2.92 -7.23 -0.96 -1.39 120.40 123.16 2d9f s VAL 40 Ca 0.50 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.52 2d9f s VAL 40 Cb -0.09 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.86 2d9f s VAL 40 CO 0.29 0.47 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.55 2d9f s THR 41 N 0.36 2.62 0.31 5.32 2.01 -1.06 -2.55 115.64 122.65 2d9f s THR 41 Ca 0.01 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2d9f s THR 41 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2d9f s THR 41 CO 0.01 0.37 0.14 0.68 -0.69 0.00 0.00 174.62 175.13 2d9f s VAL 42 N 1.33 0.46 -0.33 3.82 -7.23 0.32 -2.81 120.40 115.96 2d9f s VAL 42 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2d9f s VAL 42 Cb -0.15 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.33 2d9f s VAL 42 CO -0.08 0.00 0.04 -2.28 -0.31 0.00 0.00 175.10 172.47 2d9f s HIS 43 N -3.57 3.47 0.16 2.82 2.46 -1.16 -1.09 115.29 118.37 2d9f s HIS 43 Ca 0.35 -2.36 0.08 0.00 0.47 0.00 0.00 55.06 53.60 2d9f s HIS 43 Cb 0.05 -2.54 -0.04 0.00 -0.13 0.00 0.00 32.58 29.92 2d9f s HIS 43 CO 0.16 -0.89 -0.08 -0.48 -2.47 0.00 0.00 174.74 170.98 2d9f s LEU 44 N 1.11 3.03 -0.10 8.88 -0.00 -1.20 -3.60 118.68 126.81 2d9f s LEU 44 Ca 0.01 -0.50 -0.03 0.00 -0.00 0.00 0.00 54.13 53.61 2d9f s LEU 44 Cb -0.20 -1.75 0.05 0.00 -0.00 0.00 0.00 46.19 44.29 2d9f s LEU 44 CO -0.04 0.12 0.14 -1.10 -0.00 0.00 0.00 176.35 175.48 2d9f s GLN 45 N -2.65 0.04 -0.06 1.48 -0.21 -1.26 -2.98 119.66 114.02 2d9f s GLN 45 Ca 0.24 0.42 -0.24 0.00 0.02 0.00 0.00 55.36 55.80 2d9f s GLN 45 Cb -0.10 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 2d9f s GLN 45 CO 0.15 -0.39 0.75 0.99 -2.12 0.00 0.00 175.29 174.66 2d9f s THR 46 N 2.26 5.02 -0.03 -0.19 2.01 -0.55 -3.88 115.64 120.28 2d9f s THR 46 Ca 0.04 1.54 -0.08 0.00 0.31 0.00 0.00 61.69 63.49 2d9f s THR 46 Cb -0.13 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2d9f s THR 46 CO -0.06 0.23 0.19 -0.94 -0.69 0.00 0.00 174.62 173.35 2d9f s SER 47 N 0.84 -0.10 0.37 3.53 1.04 -0.93 -0.33 113.70 118.13 2d9f s SER 47 Ca 0.40 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 2d9f s SER 47 Cb -0.18 0.30 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 2d9f s SER 47 CO 0.19 -0.28 1.15 -0.76 0.98 0.00 0.00 173.24 174.53 2d9f s LEU 48 N -0.84 4.27 0.61 2.42 2.01 -0.97 -0.40 118.68 125.78 2d9f s LEU 48 Ca -0.09 2.32 0.25 0.00 0.01 0.00 0.00 54.13 56.61 2d9f s LEU 48 Cb -0.05 -3.94 0.98 0.00 0.01 0.00 0.00 46.19 43.19 2d9f s LEU 48 CO 0.02 -0.54 1.43 -0.08 1.01 0.00 0.00 176.35 178.18 2d9f h GLU 49 N 2.89 0.00 0.14 1.70 4.81 -1.90 0.85 114.58 123.07 2d9f h GLU 49 Ca -0.48 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.50 2d9f h GLU 49 Cb 1.23 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.62 2d9f h GLU 49 CO 0.63 0.00 -1.17 -2.95 -0.73 0.00 0.00 179.01 174.80 2d9f h ASN 50 N 0.00 0.45 0.00 1.04 7.08 -1.92 -3.49 115.58 118.74 2d9f h ASN 50 Ca 0.36 -0.90 0.00 0.00 -3.08 0.00 0.00 56.30 52.68 2d9f h ASN 50 Cb 2.36 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 38.46 2d9f h ASN 50 CO -0.00 1.53 0.00 0.61 -2.08 0.00 0.00 177.43 177.49 2d9f n GLY 51 N 1.71 0.27 3.09 9.14 0.00 0.29 -5.11 105.19 114.59 2d9f n GLY 51 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.40 3.78 -0.19 2.61 2.01 -1.24 -4.83 115.64 117.39 2d9f s THR 52 Ca 0.00 -3.08 -0.39 0.00 0.31 0.00 0.00 61.69 58.53 2d9f s THR 52 Cb 0.00 -3.45 -0.16 0.00 0.01 0.00 0.00 72.50 68.90 2d9f s THR 52 CO 0.00 -0.90 1.64 0.54 -0.69 0.00 0.00 174.62 175.21 2d9f n ARG 53 N 3.34 1.14 -0.08 4.92 1.74 -1.26 -2.30 116.66 124.16 2d9f n ARG 53 Ca 0.09 0.42 -0.11 0.00 -0.77 0.00 0.00 57.85 57.49 2d9f n ARG 53 Cb 0.38 -2.09 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f n VAL 54 N 4.05 1.46 -4.07 1.55 0.31 0.55 -4.93 118.33 117.25 2d9f n VAL 54 Ca 0.24 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.55 2d9f n VAL 54 Cb 0.14 -2.28 -0.15 0.00 -0.91 0.00 0.00 33.84 30.65 2d9f n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9f s GLN 55 N -2.32 0.34 -0.12 5.55 -2.07 -1.21 -4.91 119.66 114.91 2d9f s GLN 55 Ca -0.20 -0.11 0.03 0.00 -1.82 0.00 0.00 55.36 53.26 2d9f s GLN 55 Cb 0.04 -0.35 0.00 0.00 -1.09 0.00 0.00 33.01 31.61 2d9f s GLN 55 CO 0.34 0.05 -0.22 -2.00 -1.32 0.00 0.00 175.29 172.14 2d9f s GLU 56 N 0.10 3.10 -0.27 9.60 -6.30 -1.26 -1.49 118.70 122.18 2d9f s GLU 56 Ca -0.01 -0.84 -0.02 0.00 -2.50 0.00 0.00 54.97 51.60 2d9f s GLU 56 Cb -0.04 -2.40 0.09 0.00 0.00 0.00 0.00 34.13 31.79 2d9f s GLU 56 CO -0.00 0.13 0.09 -2.00 0.02 0.00 0.00 175.26 173.49 2d9f s GLU 57 N 0.49 0.55 0.21 4.30 2.56 -1.16 -5.00 118.70 120.64 2d9f s GLU 57 Ca -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 54.97 54.04 2d9f s GLU 57 Cb -0.17 -1.79 0.17 0.00 2.00 0.00 0.00 34.13 34.33 2d9f s GLU 57 CO 0.05 -0.91 1.56 -1.00 -0.56 0.00 0.00 175.26 174.41 2d9f h PRO 58 N 8.22 0.61 -2.87 4.30 0.13 -1.90 -3.17 132.00 137.32 2d9f h PRO 58 Ca -0.16 -0.32 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2d9f h PRO 58 Cb 1.04 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.77 2d9f h PRO 58 CO 0.43 0.92 -0.63 -1.91 -0.23 0.00 0.00 178.00 176.58 2d9f n GLU 59 N -4.02 1.71 -3.08 0.86 4.07 -1.26 -4.45 120.64 114.46 2d9f n GLU 59 Ca -0.02 -4.34 -0.40 0.00 -0.06 0.00 0.00 57.16 52.34 2d9f n GLU 59 Cb 0.53 -2.19 -0.06 0.00 -0.06 0.00 0.00 31.44 29.66 2d9f n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2d9f s LEU 60 N -1.42 4.15 0.07 4.31 1.98 -0.25 -4.95 118.68 122.57 2d9f s LEU 60 Ca 0.28 0.88 0.06 0.00 -2.89 0.00 0.00 54.13 52.46 2d9f s LEU 60 Cb -0.00 -2.94 -0.03 0.00 0.66 0.00 0.00 46.19 43.87 2d9f s LEU 60 CO -0.15 -0.30 -0.17 0.54 -1.89 0.00 0.00 176.35 174.38 2d9f s VAL 61 N 1.97 1.35 0.15 1.68 0.11 -1.26 -0.52 120.40 123.87 2d9f s VAL 61 Ca 0.30 -1.30 -0.25 0.00 -2.93 0.00 0.00 61.98 57.81 2d9f s VAL 61 Cb -0.16 -1.24 0.07 0.00 -1.53 0.00 0.00 36.38 33.53 2d9f s VAL 61 CO 0.11 -0.08 1.02 0.72 -3.33 0.00 0.00 175.10 173.53 2d9f s PHE 62 N -1.10 -0.05 -0.55 1.54 -0.12 -1.06 -5.01 117.98 111.63 2d9f s PHE 62 Ca 0.02 -0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 56.51 2d9f s PHE 62 Cb -0.09 0.65 0.14 0.00 -0.63 0.00 0.00 43.02 43.08 2d9f s PHE 62 CO 0.03 -0.81 0.48 0.99 -0.05 0.00 0.00 175.22 175.86 2d9f s THR 63 N -2.84 4.87 0.37 -4.49 2.01 -1.26 -2.27 115.64 112.04 2d9f s THR 63 Ca 0.16 -1.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.18 2d9f s THR 63 Cb -0.01 -4.14 -0.14 0.00 0.01 0.00 0.00 72.50 68.22 2d9f s THR 63 CO 0.03 -0.86 0.51 -0.11 -0.69 0.00 0.00 174.62 173.50 2d9f n LEU 64 N 4.95 -0.48 0.00 4.42 7.94 -1.19 -1.62 117.00 131.00 2d9f n LEU 64 Ca -0.08 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 2d9f n LEU 64 Cb 0.41 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.29 2d9f n LEU 64 CO 0.48 -2.97 0.00 0.61 -1.11 0.00 0.00 177.39 174.40 2d9f n GLY 65 N 1.85 2.79 0.10 -3.96 0.00 -1.26 -2.03 105.19 102.68 2d9f n GLY 65 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2d9f n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d9f h ASP 66 N 0.00 0.00 -5.99 1.61 5.19 -1.74 -3.48 116.42 112.01 2d9f h ASP 66 Ca 0.00 -0.08 -0.41 0.00 -0.62 0.00 0.00 57.03 55.92 2d9f h ASP 66 Cb 0.00 0.00 0.08 0.00 0.18 0.00 0.00 39.33 39.59 2d9f h ASP 66 CO 0.00 0.04 -0.75 0.00 -3.12 0.00 0.00 179.24 175.41 2d9f h ASP 68 N -2.18 0.00 -0.62 0.00 5.19 -1.93 -3.45 116.42 113.43 2d9f h ASP 68 Ca -0.59 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.25 2d9f h ASP 68 Cb 1.36 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.83 2d9f h ASP 68 CO 0.58 0.00 -0.28 0.68 -3.12 0.00 0.00 179.24 177.10 2d9f s VAL 69 N -3.38 1.73 0.46 -1.35 -7.23 -1.26 -5.07 120.40 104.30 2d9f s VAL 69 Ca 0.05 -1.43 -0.20 0.00 -1.81 0.00 0.00 61.98 58.58 2d9f s VAL 69 Cb 0.09 -2.16 -0.13 0.00 0.56 0.00 0.00 36.38 34.73 2d9f s VAL 69 CO 0.56 0.00 0.30 -0.38 -0.31 0.00 0.00 175.10 175.26 2d9f n ILE 70 N -1.82 1.24 0.44 -0.62 2.08 -1.26 -4.68 119.36 114.74 2d9f n ILE 70 Ca 0.01 -0.50 0.12 0.00 0.56 0.00 0.00 62.75 62.93 2d9f n ILE 70 Cb 0.64 -0.32 0.47 0.00 -0.75 0.00 0.00 39.64 39.68 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 0.84 0.18 0.00 0.38 6.02 -0.94 -1.79 117.38 122.07 2d9f n GLN 71 Ca 0.11 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.59 2d9f n GLN 71 Cb 0.42 -1.82 0.09 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 -1.74 3.82 -0.11 -1.58 0.00 -1.25 -3.37 120.51 116.28 2d9f n ALA 72 Ca 0.03 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 2d9f n ALA 72 Cb 0.24 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.87 2.54 0.11 0.00 7.94 -0.84 -4.09 117.00 121.79 2d9f n LEU 73 Ca 0.08 0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.96 2d9f n LEU 73 Cb 0.38 -0.74 0.09 0.00 0.53 0.00 0.00 43.42 43.68 2d9f n LEU 73 CO 0.33 0.74 0.40 -0.78 -1.11 0.00 0.00 177.39 176.98 2d9f h ASP 74 N -0.28 0.03 0.61 1.96 1.82 -1.55 -0.37 116.42 118.66 2d9f h ASP 74 Ca -0.52 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 2d9f h ASP 74 Cb 1.68 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.68 2d9f h ASP 74 CO -0.17 0.74 -0.04 0.18 -1.61 0.00 0.00 179.24 178.34 2d9f n LEU 75 N -3.70 0.10 -0.06 2.28 4.32 -1.22 -3.59 117.00 115.14 2d9f n LEU 75 Ca -0.01 0.27 -0.06 0.00 -0.02 0.00 0.00 56.01 56.19 2d9f n LEU 75 Cb 0.70 -0.31 -0.08 0.00 -1.62 0.00 0.00 43.42 42.11 2d9f n LEU 75 CO 0.44 0.02 -0.87 -1.54 -1.22 0.00 0.00 177.39 174.22 2d9f n SER 76 N -1.28 2.42 -0.03 -1.43 3.41 -1.09 -4.54 113.62 111.08 2d9f n SER 76 Ca 0.13 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 2d9f n SER 76 Cb 0.27 0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.25 0.00 -3.33 2.07 -1.12 0.23 116.25 114.34 2d9f h VAL 77 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2d9f h VAL 77 Cb 1.64 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2d9f h VAL 77 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2d9f n PRO 78 N -5.41 0.49 -0.30 1.57 -0.04 -1.26 -2.03 135.00 128.02 2d9f n PRO 78 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2d9f n PRO 78 Cb 0.33 -1.33 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.83 3.31 -3.83 1.53 4.77 0.79 -4.93 117.00 117.81 2d9f n LEU 79 Ca 0.08 -2.75 -0.12 0.00 -0.03 0.00 0.00 56.01 53.19 2d9f n LEU 79 Cb 0.03 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2d9f n LEU 79 CO 0.06 0.68 -0.13 0.00 -1.33 0.00 0.00 177.39 176.67 2d9f s MET 80 N -2.33 0.44 0.61 3.23 0.23 -0.86 -5.05 119.30 115.57 2d9f s MET 80 Ca 0.34 -0.16 -0.12 0.00 -1.03 0.00 0.00 55.69 54.73 2d9f s MET 80 Cb 0.26 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 2d9f s MET 80 CO 0.09 -0.10 1.03 -0.51 -2.03 0.00 0.00 175.02 173.49 2d9f s ASP 81 N -0.92 6.21 -0.09 -1.18 1.01 -1.26 -4.48 116.67 115.96 2d9f s ASP 81 Ca -0.10 1.45 -0.30 0.00 0.71 0.00 0.00 52.55 54.31 2d9f s ASP 81 Cb -0.05 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2d9f s ASP 81 CO 0.02 -0.88 1.51 0.54 0.21 0.00 0.00 175.17 176.56 2d9f s VAL 82 N -3.11 3.82 0.00 -1.27 0.11 -1.26 -2.40 120.40 116.30 2d9f s VAL 82 Ca 0.56 1.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 2d9f s VAL 82 Cb -0.11 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2d9f s VAL 82 CO 0.52 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 2d9f n GLY 83 N 3.93 0.55 3.56 6.54 0.00 0.59 -4.63 105.19 115.72 2d9f n GLY 83 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.77 3.85 -0.22 1.61 2.12 -1.01 -4.41 118.70 119.88 2d9f s GLU 84 Ca 0.00 -0.39 -0.23 0.00 0.36 0.00 0.00 54.97 54.71 2d9f s GLU 84 Cb 0.00 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 2d9f s GLU 84 CO 0.00 0.03 0.76 0.99 -0.54 0.00 0.00 175.26 176.50 2d9f s THR 85 N 1.07 4.90 0.03 -1.70 2.01 0.19 -3.85 115.64 118.29 2d9f s THR 85 Ca 0.05 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.53 2d9f s THR 85 Cb -0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2d9f s THR 85 CO 0.03 -0.00 -0.11 0.00 -0.69 0.00 0.00 174.62 173.85 2d9f s ALA 86 N 2.48 0.88 0.16 7.40 0.00 -0.28 -0.20 121.76 132.20 2d9f s ALA 86 Ca 0.33 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2d9f s ALA 86 Cb -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2d9f s ALA 86 CO 0.09 0.14 0.19 1.41 0.00 0.00 0.00 175.76 177.60 2d9f s MET 87 N -1.00 3.10 -0.03 0.00 1.75 0.51 -0.67 119.30 122.97 2d9f s MET 87 Ca -0.01 -0.76 -0.00 0.00 -1.25 0.00 0.00 55.69 53.67 2d9f s MET 87 Cb -0.07 -2.77 0.03 0.00 2.84 0.00 0.00 34.83 34.86 2d9f s MET 87 CO 0.01 0.50 0.01 0.14 -0.65 0.00 0.00 175.02 175.03 2d9f s VAL 88 N -1.74 0.11 -0.32 10.11 -7.23 0.91 -0.29 120.40 121.95 2d9f s VAL 88 Ca 0.32 0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 2d9f s VAL 88 Cb -0.10 -0.24 0.10 0.00 0.56 0.00 0.00 36.38 36.69 2d9f s VAL 88 CO 0.25 0.14 0.06 0.42 -0.31 0.00 0.00 175.10 175.67 2d9f s THR 89 N 1.20 1.60 0.39 5.32 -4.23 -0.78 -1.69 115.64 117.45 2d9f s THR 89 Ca -0.07 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 2d9f s THR 89 Cb -0.13 -2.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 2d9f s THR 89 CO -0.02 -0.58 0.03 0.00 -0.54 0.00 0.00 174.62 173.50 2d9f s ALA 90 N 1.26 3.22 0.43 3.99 0.00 -1.24 -2.25 121.76 127.17 2d9f s ALA 90 Ca 0.09 -2.20 -0.21 0.00 0.00 0.00 0.00 51.96 49.64 2d9f s ALA 90 Cb -0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 2d9f s ALA 90 CO -0.15 -0.07 0.97 0.34 0.00 0.00 0.00 175.76 176.85 2d9f s ASP 91 N -3.73 6.82 0.48 0.00 2.15 -1.26 -3.30 116.67 117.84 2d9f s ASP 91 Ca 0.36 1.76 0.39 0.00 0.43 0.00 0.00 52.55 55.49 2d9f s ASP 91 Cb 0.06 -2.55 1.58 0.00 -0.30 0.00 0.00 42.92 41.72 2d9f s ASP 91 CO 0.19 -0.44 1.57 -1.20 -0.17 0.00 0.00 175.17 175.11 2d9f n SER 92 N -0.62 0.14 -0.24 -0.34 7.64 -1.26 0.82 113.62 119.75 2d9f n SER 92 Ca 0.07 1.26 0.04 0.00 1.01 0.00 0.00 58.87 61.25 2d9f n SER 92 Cb 0.53 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 63.28 2d9f n SER 92 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2d9f h LYS 93 N 0.00 0.30 0.00 1.43 2.10 -1.91 0.34 116.57 118.83 2d9f h LYS 93 Ca 0.91 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.54 2d9f h LYS 93 Cb 3.18 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.44 2d9f h LYS 93 CO -0.31 0.20 -0.30 1.88 -2.00 0.00 0.00 179.45 178.91 2d9f h TYR 94 N 0.31 0.00 0.00 0.07 0.05 0.06 -3.34 116.97 114.12 2d9f h TYR 94 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 2d9f h TYR 94 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2d9f h TYR 94 CO -0.24 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 176.87 2d9f n TYR 96 N -1.63 0.00 0.00 0.00 4.02 0.83 -4.60 117.16 115.78 2d9f n TYR 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2d9f n TYR 96 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d9f n GLY 97 N 3.08 4.24 0.00 2.72 0.00 0.33 -4.83 105.19 110.72 2d9f n GLY 97 Ca 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.88 0.49 -0.07 1.61 -0.04 -1.26 -2.38 135.00 131.46 2d9f n PRO 98 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2d9f n PRO 98 Cb 0.00 -1.47 -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 -0.97 0.67 0.00 0.54 10.64 -1.26 -4.56 117.38 122.45 2d9f n GLN 99 Ca 0.11 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2d9f n GLN 99 Cb 0.05 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 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 1.79 1.26 3.89 2.61 0.00 -1.00 -4.71 105.19 109.03 2d9f n GLY 100 Ca -0.30 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 43.28 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 4.59 -0.05 1.61 0.15 -1.02 -4.76 113.70 114.23 2d9f s SER 101 Ca 0.00 -1.27 -0.08 0.00 0.70 0.00 0.00 55.95 55.30 2d9f s SER 101 Cb 0.00 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2d9f s SER 101 CO 0.00 -1.06 -0.15 0.54 1.20 0.00 0.00 173.24 173.77 2d9f n ARG 102 N -1.70 0.22 -3.33 5.44 5.12 -1.26 -4.03 116.66 117.12 2d9f n ARG 102 Ca -0.03 0.09 -0.04 0.00 -1.93 0.00 0.00 57.85 55.94 2d9f n ARG 102 Cb 0.64 -0.83 -0.05 0.00 -1.16 0.00 0.00 32.46 31.06 2d9f n ARG 102 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2d9f s SER 103 N -5.44 -0.53 0.24 0.55 0.15 -1.26 -2.17 113.70 105.24 2d9f s SER 103 Ca -0.12 0.65 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 2d9f s SER 103 Cb 0.02 1.62 -0.09 0.00 -1.71 0.00 0.00 66.02 65.86 2d9f s SER 103 CO 0.18 -0.27 1.28 -2.16 1.20 0.00 0.00 173.24 173.47 2d9f s PRO 104 N 2.70 4.42 0.36 5.44 0.04 -1.26 -5.12 135.00 141.57 2d9f s PRO 104 Ca 0.13 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 2d9f s PRO 104 Cb -0.15 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2d9f s PRO 104 CO -0.18 -0.17 1.16 -0.47 0.04 0.00 0.00 177.00 177.39 2d9f s TYR 105 N -0.32 3.21 0.00 0.56 6.14 -0.92 -4.74 117.35 121.29 2d9f s TYR 105 Ca 0.53 1.58 0.01 0.00 0.64 0.00 0.00 57.07 59.83 2d9f s TYR 105 Cb -0.36 -3.39 -0.01 0.00 0.42 0.00 0.00 41.96 38.62 2d9f s TYR 105 CO 0.42 -1.15 -0.03 0.96 0.64 0.00 0.00 175.55 176.39 2d9f s ILE 106 N -1.33 0.22 0.49 3.14 -5.25 -1.26 -4.88 121.20 112.33 2d9f s ILE 106 Ca 0.53 -0.25 -0.22 0.00 -0.99 0.00 0.00 60.65 59.72 2d9f s ILE 106 Cb -0.32 -0.22 -0.07 0.00 2.95 0.00 0.00 42.46 44.81 2d9f s ILE 106 CO 0.40 -0.03 1.15 -2.16 -1.79 0.00 0.00 174.94 172.52 2d9f s PRO 107 N -0.30 3.62 0.58 0.37 0.04 -1.26 -2.42 135.00 135.63 2d9f s PRO 107 Ca -0.01 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2d9f s PRO 107 Cb -0.02 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2d9f s PRO 107 CO -0.00 -0.65 1.12 -1.25 0.04 0.00 0.00 177.00 176.26 2d9f s PRO 108 N -2.90 3.20 -1.41 0.56 0.04 -1.26 -3.33 135.00 129.90 2d9f s PRO 108 Ca 0.67 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 2d9f s PRO 108 Cb -0.27 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.37 2d9f s PRO 108 CO 0.32 -0.96 0.63 0.72 0.04 0.00 0.00 177.00 177.75 2d9f n HIS 109 N -1.61 -1.85 -3.86 0.56 8.25 -1.26 -4.91 115.22 110.54 2d9f n HIS 109 Ca 0.11 0.60 -0.33 0.00 -0.26 0.00 0.00 57.72 57.85 2d9f n HIS 109 Cb 0.51 -3.09 -0.12 0.00 1.12 0.00 0.00 29.99 28.41 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 -3.06 3.36 1.00 -1.41 0.00 -1.21 -4.82 121.76 115.61 2d9f s ALA 110 Ca 0.51 -3.14 -0.18 0.00 0.00 0.00 0.00 51.96 49.15 2d9f s ALA 110 Cb -0.27 -2.34 -0.12 0.00 0.00 0.00 0.00 23.12 20.38 2d9f s ALA 110 CO 0.63 -2.00 -0.69 0.00 0.00 0.00 0.00 175.76 173.70 2d9f n ALA 111 N 3.47 -5.07 -3.63 0.00 0.00 -1.26 -4.20 120.51 109.81 2d9f n ALA 111 Ca 0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 2d9f n ALA 111 Cb 0.36 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 6.34 0.29 -0.03 0.00 1.43 -1.21 -3.59 118.68 121.91 2d9f s LEU 112 Ca 0.43 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 2d9f s LEU 112 Cb -0.15 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.06 2d9f s LEU 112 CO 0.78 -0.17 0.89 0.00 0.23 0.00 0.00 176.35 178.08 2d9f s LEU 114 N 1.05 1.28 -0.47 0.00 1.43 -0.68 -2.18 118.68 119.11 2d9f s LEU 114 Ca 0.47 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 2d9f s LEU 114 Cb -0.20 -0.70 0.09 0.00 0.03 0.00 0.00 46.19 45.41 2d9f s LEU 114 CO 0.24 -0.07 0.38 -0.70 0.23 0.00 0.00 176.35 176.43 2d9f s GLU 115 N 1.26 2.86 0.01 1.70 2.12 -1.25 -0.06 118.70 125.33 2d9f s GLU 115 Ca -0.04 -1.48 -0.20 0.00 0.36 0.00 0.00 54.97 53.61 2d9f s GLU 115 Cb -0.14 -4.08 -0.06 0.00 0.26 0.00 0.00 34.13 30.12 2d9f s GLU 115 CO -0.02 -1.09 0.57 0.08 -0.54 0.00 0.00 175.26 174.26 2d9f s VAL 116 N 1.56 4.89 -0.23 3.70 1.01 0.16 -3.66 120.40 127.83 2d9f s VAL 116 Ca 0.04 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 2d9f s VAL 116 Cb -0.25 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.31 2d9f s VAL 116 CO 0.04 0.46 0.12 -0.89 0.00 0.00 0.00 175.10 174.83 2d9f s THR 117 N -0.44 -0.10 -0.31 3.92 2.01 -1.24 -1.12 115.64 118.37 2d9f s THR 117 Ca 0.30 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 2d9f s THR 117 Cb -0.18 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2d9f s THR 117 CO 0.17 -0.49 1.59 -0.22 -0.69 0.00 0.00 174.62 174.98 2d9f s LEU 118 N 2.13 3.69 -0.05 4.42 1.98 -1.25 -3.01 118.68 126.60 2d9f s LEU 118 Ca 0.06 1.28 -0.04 0.00 -2.89 0.00 0.00 54.13 52.54 2d9f s LEU 118 Cb -0.16 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 2d9f s LEU 118 CO -0.23 -1.42 -0.07 0.29 -1.89 0.00 0.00 176.35 173.03 2d9f n LYS 119 N 7.97 0.14 -3.84 1.98 4.76 -1.12 -0.30 118.16 127.76 2d9f n LYS 119 Ca 0.19 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.76 2d9f n LYS 119 Cb 0.46 -0.96 -0.11 0.00 -1.84 0.00 0.00 35.03 32.59 2d9f n LYS 119 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2d9f s THR 120 N -1.44 0.05 -0.15 -0.18 -4.23 -1.24 -4.46 115.64 103.99 2d9f s THR 120 Ca -0.06 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2d9f s THR 120 Cb 0.01 -0.38 0.03 0.00 1.34 0.00 0.00 72.50 73.49 2d9f s THR 120 CO 0.09 -0.22 -0.11 0.00 -0.54 0.00 0.00 174.62 173.83 2d9f s ALA 121 N -0.80 1.73 0.22 3.99 0.00 -1.26 -2.56 121.76 123.08 2d9f s ALA 121 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 2d9f s ALA 121 Cb -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2d9f s ALA 121 CO 0.01 -0.53 0.21 0.14 0.00 0.00 0.00 175.76 175.59 2d9f s VAL 122 N 1.53 0.00 -0.13 0.00 -7.23 -0.49 -4.98 120.40 109.11 2d9f s VAL 122 Ca 0.03 -1.87 0.17 0.00 -1.81 0.00 0.00 61.98 58.49 2d9f s VAL 122 Cb -0.14 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.28 2d9f s VAL 122 CO -0.09 0.00 1.00 -0.78 -0.31 0.00 0.00 175.10 174.92 2d9f h ASP 123 N 2.52 0.00 -3.93 4.85 1.82 -1.93 1.32 116.42 121.07 2d9f h ASP 123 Ca -0.33 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.79 2d9f h ASP 123 Cb 1.25 0.00 0.06 0.00 0.68 0.00 0.00 39.33 41.31 2d9f h ASP 123 CO 0.49 0.53 0.53 -0.13 -1.61 0.00 0.00 179.24 179.04 2d9f s ARG 124 N -2.96 4.09 0.52 0.28 3.00 -1.26 -4.46 118.95 118.15 2d9f s ARG 124 Ca -0.01 1.91 -0.21 0.00 0.00 0.00 0.00 55.73 57.43 2d9f s ARG 124 Cb 0.08 -2.74 -0.06 0.00 0.00 0.00 0.00 34.95 32.23 2d9f s ARG 124 CO 0.79 -0.31 1.14 -1.25 0.00 0.00 0.00 175.30 175.67 2d9f s PRO 125 N -2.21 3.49 -0.25 3.54 0.04 -1.26 -4.70 135.00 133.64 2d9f s PRO 125 Ca 0.56 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2d9f s PRO 125 Cb -0.32 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 31.91 2d9f s PRO 125 CO 0.41 -0.75 -0.19 -3.47 0.04 0.00 0.00 177.00 173.04 2d9f n ASP 126 N -1.03 1.98 -4.56 6.66 -0.08 -1.26 -4.79 116.55 113.48 2d9f n ASP 126 Ca 0.10 0.08 -0.38 0.00 -1.51 0.00 0.00 54.79 53.08 2d9f n ASP 126 Cb 0.50 -0.62 -0.03 0.00 2.34 0.00 0.00 41.12 43.31 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 -6.97 3.36 -0.82 -2.67 2.96 -1.26 -4.94 118.68 108.34 2d9f s LEU 127 Ca -0.35 -0.99 -0.23 0.00 -0.22 0.00 0.00 54.13 52.35 2d9f s LEU 127 Cb 0.11 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.30 2d9f s LEU 127 CO 0.58 -1.88 1.20 -0.70 -1.32 0.00 0.00 176.35 174.23 2d9f s GLU 128 N 5.67 3.35 -0.30 1.98 2.12 -1.26 -4.87 118.70 125.39 2d9f s GLU 128 Ca 0.50 -0.94 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 2d9f s GLU 128 Cb -0.04 -4.64 0.18 0.00 0.26 0.00 0.00 34.13 29.90 2d9f s GLU 128 CO -0.01 -1.99 1.03 0.00 -0.54 0.00 0.00 175.26 173.74 2d9f s MET 129 N 4.44 0.19 0.22 4.30 0.23 -1.26 -5.17 119.30 122.24 2d9f s MET 129 Ca 0.33 0.29 0.09 0.00 -1.03 0.00 0.00 55.69 55.37 2d9f s MET 129 Cb -0.08 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.33 2d9f s MET 129 CO 0.02 -0.26 -0.07 -1.54 -2.03 0.00 0.00 175.02 171.14 2d9f s SER 130 N 2.95 4.28 0.00 -1.18 1.04 -1.26 -5.09 113.70 114.44 2d9f s SER 130 Ca 0.08 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2d9f s SER 130 Cb -0.08 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.32 2d9f s SER 130 CO -0.15 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2d9f n GLY 131 N -0.34 2.84 3.56 7.32 0.00 -1.26 -4.97 105.19 112.34 2d9f n GLY 131 Ca -0.09 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.02 2.54 0.19 1.61 0.04 -1.26 -4.94 135.00 131.16 2d9f s PRO 132 Ca 0.00 -0.50 0.10 0.00 0.04 0.00 0.00 61.00 60.63 2d9f s PRO 132 Cb 0.00 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 2d9f s PRO 132 CO 0.00 -3.53 -0.12 0.45 0.04 0.00 0.00 177.00 173.84 2d9f s SER 133 N 7.66 4.08 -0.61 6.66 0.15 -1.26 -5.05 113.70 125.33 2d9f s SER 133 Ca 0.70 -0.66 -0.26 0.00 0.70 0.00 0.00 55.95 56.43 2d9f s SER 133 Cb -0.05 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 2d9f s SER 133 CO 0.03 0.10 2.09 -0.44 1.20 0.00 0.00 173.24 176.21 2d9f s SER 134 N -2.86 4.89 0.00 5.45 0.01 -1.26 -5.25 113.70 114.68 2d9f s SER 134 Ca 0.24 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.99 2d9f s SER 134 Cb -0.08 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2d9f s SER 134 CO 0.14 -2.68 0.27 0.61 0.41 0.00 0.00 173.24 172.00