#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 3.67 -1.09 1.61 0.15 -1.26 -5.07 113.70 111.71 2d9f s SER 2 Ca 0.00 -1.30 -0.15 0.00 0.70 0.00 0.00 55.95 55.20 2d9f s SER 2 Cb 0.00 -0.35 0.16 0.00 -1.71 0.00 0.00 66.02 64.13 2d9f s SER 2 CO 0.00 -0.37 1.28 -0.55 1.20 0.00 0.00 173.24 174.80 2d9f s SER 3 N -3.65 6.92 0.52 5.45 0.15 -1.26 -5.02 113.70 116.81 2d9f s SER 3 Ca 0.34 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 54.31 2d9f s SER 3 Cb 0.07 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2d9f s SER 3 CO 0.17 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2d9f n GLY 4 N 4.53 -2.78 1.31 9.45 0.00 -1.26 -5.04 105.19 111.40 2d9f n GLY 4 Ca 0.31 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2d9f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9f n SER 5 N -1.55 0.72 -4.62 1.61 2.88 -1.26 -5.10 113.62 106.30 2d9f n SER 5 Ca 0.00 0.23 -0.28 0.00 -1.33 0.00 0.00 58.87 57.49 2d9f n SER 5 Cb 0.00 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.25 2d9f n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d9f s SER 6 N -5.67 4.59 0.00 -3.46 0.01 -1.26 -5.01 113.70 102.90 2d9f s SER 6 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2d9f s SER 6 Cb 0.00 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.30 2d9f s SER 6 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2d9f n GLY 7 N 0.20 -0.51 2.42 3.44 0.00 -1.26 -5.04 105.19 104.44 2d9f n GLY 7 Ca -0.11 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2d9f n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d9f n GLU 8 N 0.00 2.74 -3.75 1.61 4.07 -1.26 -4.89 120.64 119.15 2d9f n GLU 8 Ca 0.00 -2.35 -0.21 0.00 -0.06 0.00 0.00 57.16 54.54 2d9f n GLU 8 Cb 0.00 -2.22 -0.04 0.00 -0.06 0.00 0.00 31.44 29.12 2d9f n GLU 8 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2d9f n GLU 9 N 1.29 1.18 -0.61 5.31 0.28 -1.26 -5.13 120.64 121.70 2d9f n GLU 9 Ca 0.51 -2.42 -0.22 0.00 -0.16 0.00 0.00 57.16 54.87 2d9f n GLU 9 Cb 0.54 0.67 0.13 0.00 1.43 0.00 0.00 31.44 34.22 2d9f n GLU 9 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2d9f n TRP 10 N -0.82 -1.99 -4.81 -1.84 7.02 -1.26 -4.98 117.44 108.75 2d9f n TRP 10 Ca -0.13 0.12 -0.33 0.00 -1.02 0.00 0.00 57.50 56.14 2d9f n TRP 10 Cb 0.42 -1.42 -0.14 0.00 -2.42 0.00 0.00 31.31 27.75 2d9f n TRP 10 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2d9f s LEU 11 N 0.98 2.72 -0.60 -0.99 0.20 -0.59 -4.92 118.68 115.49 2d9f s LEU 11 Ca 0.38 -0.29 -0.23 0.00 0.69 0.00 0.00 54.13 54.68 2d9f s LEU 11 Cb -0.05 -1.60 0.06 0.00 -0.43 0.00 0.00 46.19 44.17 2d9f s LEU 11 CO 0.42 0.21 0.92 1.51 -0.29 0.00 0.00 176.35 179.11 2d9f s ASP 12 N 0.08 6.24 0.24 3.68 -4.77 -1.26 -1.41 116.67 119.47 2d9f s ASP 12 Ca -0.05 -0.74 0.05 0.00 -3.30 0.00 0.00 52.55 48.51 2d9f s ASP 12 Cb -0.15 -2.41 0.27 0.00 -1.09 0.00 0.00 42.92 39.54 2d9f s ASP 12 CO 0.04 -1.30 1.57 0.40 0.70 0.00 0.00 175.17 176.59 2d9f h ILE 13 N 5.98 1.40 0.00 2.11 2.04 -1.89 -3.30 117.51 123.85 2d9f h ILE 13 Ca -0.28 -2.01 -0.26 0.00 1.00 0.00 0.00 64.86 63.31 2d9f h ILE 13 Cb 1.07 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 2d9f h ILE 13 CO 1.12 0.59 -2.06 0.18 0.00 0.00 0.00 178.15 177.99 2d9f n LEU 14 N -3.86 0.00 0.00 1.44 4.77 -1.26 -5.02 117.00 113.07 2d9f n LEU 14 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2d9f n LEU 14 Cb 0.62 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2d9f n LEU 14 CO 0.44 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2d9f n GLY 15 N 1.98 2.52 0.17 -0.72 0.00 -1.25 -4.92 105.19 102.98 2d9f n GLY 15 Ca -0.24 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2d9f n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d9f h ASN 16 N 0.45 -0.31 0.00 1.61 2.35 -1.93 -3.47 115.58 114.27 2d9f h ASN 16 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2d9f h ASN 16 Cb 0.00 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2d9f h ASN 16 CO 0.00 -0.21 0.00 0.61 -1.65 0.00 0.00 177.43 176.18 2d9f n GLY 17 N -1.24 0.55 0.03 2.83 0.00 -1.26 -5.05 105.19 101.05 2d9f n GLY 17 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 -8.63 0.99 -0.00 -1.91 -3.43 115.31 102.29 2d9f h LEU 18 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.33 2d9f h LEU 18 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.62 2d9f h LEU 18 CO 0.00 0.06 1.11 -0.22 -0.00 0.00 0.00 178.44 179.39 2d9f s LEU 19 N -5.10 3.43 0.18 1.67 2.96 -1.26 -3.66 118.68 116.90 2d9f s LEU 19 Ca -0.01 0.42 0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2d9f s LEU 19 Cb 0.00 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2d9f s LEU 19 CO 0.02 -1.69 -0.17 -0.13 -1.32 0.00 0.00 176.35 173.07 2d9f s ARG 20 N 5.47 1.80 -0.05 1.98 0.52 -1.11 -2.72 118.95 124.85 2d9f s ARG 20 Ca 0.55 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2d9f s ARG 20 Cb -0.12 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.34 2d9f s ARG 20 CO 0.26 0.42 -0.13 0.21 0.02 0.00 0.00 175.30 176.08 2d9f s LYS 21 N -2.70 1.54 -0.30 3.54 2.20 -0.50 -2.25 119.74 121.26 2d9f s LYS 21 Ca 0.22 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2d9f s LYS 21 Cb -0.09 -1.33 0.10 0.00 -1.51 0.00 0.00 37.83 35.00 2d9f s LYS 21 CO 0.12 0.14 0.09 0.21 -0.36 0.00 0.00 175.35 175.55 2d9f s LYS 22 N 0.28 0.72 -0.44 4.03 2.20 -0.35 -1.54 119.74 124.65 2d9f s LYS 22 Ca -0.07 -1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 54.23 2d9f s LYS 22 Cb -0.12 -2.00 -0.06 0.00 -1.51 0.00 0.00 37.83 34.14 2d9f s LYS 22 CO 0.02 -0.97 2.27 0.99 -0.36 0.00 0.00 175.35 177.31 2d9f s THR 23 N 1.62 3.07 0.05 3.43 2.01 -1.26 -0.37 115.64 124.20 2d9f s THR 23 Ca 0.09 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 2d9f s THR 23 Cb -0.17 -3.15 -0.15 0.00 0.01 0.00 0.00 72.50 69.04 2d9f s THR 23 CO -0.24 -0.13 1.30 -0.07 -0.69 0.00 0.00 174.62 174.78 2d9f h LEU 24 N 17.97 0.58 -6.94 4.42 3.38 -0.74 -3.44 115.31 130.54 2d9f h LEU 24 Ca -0.29 -0.57 -0.33 0.00 0.09 0.00 0.00 57.88 56.79 2d9f h LEU 24 Cb 1.24 -0.17 -0.36 0.00 0.09 0.00 0.00 40.66 41.46 2d9f h LEU 24 CO 1.12 1.04 -0.64 -0.69 0.09 0.00 0.00 178.44 179.35 2d9f s VAL 25 N -3.98 -0.28 0.71 1.22 1.01 0.25 -4.96 120.40 114.37 2d9f s VAL 25 Ca -0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2d9f s VAL 25 Cb 0.06 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.89 2d9f s VAL 25 CO 0.81 -0.13 1.10 -2.16 0.00 0.00 0.00 175.10 174.72 2d9f s PRO 26 N 2.30 2.56 0.53 2.72 0.04 -1.26 0.13 135.00 142.02 2d9f s PRO 26 Ca 0.05 1.29 0.09 0.00 0.04 0.00 0.00 61.00 62.47 2d9f s PRO 26 Cb -0.15 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.53 2d9f s PRO 26 CO -0.10 -1.42 0.73 0.20 0.04 0.00 0.00 177.00 176.45 2d9f s GLY 27 N -2.94 1.79 0.87 0.56 0.00 -1.26 -4.74 107.32 101.59 2d9f s GLY 27 Ca 0.64 -2.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 2d9f s GLY 27 CO 0.48 -1.63 1.09 2.56 0.00 0.00 0.00 173.10 175.60 2d9f s PRO 28 N -4.58 1.46 0.00 2.90 0.04 -1.26 -4.91 135.00 128.65 2d9f s PRO 28 Ca 0.60 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 0.88 0.00 0.04 0.00 0.00 34.50 33.52 2d9f s PRO 28 CO 0.37 -2.12 1.36 -0.35 0.04 0.00 0.00 177.00 176.31 2d9f n PRO 29 N -3.81 0.41 -0.04 0.56 -0.04 -1.26 -2.72 135.00 128.10 2d9f n PRO 29 Ca 0.07 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2d9f n PRO 29 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.03 -0.70 3.22 0.55 0.00 -1.26 -4.96 105.19 102.01 2d9f n GLY 30 Ca 0.10 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2d9f n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9f n SER 31 N -3.24 -3.01 -3.63 1.61 3.41 -1.10 -5.06 113.62 102.59 2d9f n SER 31 Ca -0.30 -0.45 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 2d9f n SER 31 Cb 1.05 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2d9f n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9f s SER 32 N -2.36 -0.34 0.21 4.04 1.04 -1.26 -4.91 113.70 110.12 2d9f s SER 32 Ca 0.57 0.60 -0.32 0.00 0.48 0.00 0.00 55.95 57.28 2d9f s SER 32 Cb -0.13 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.43 2d9f s SER 32 CO 0.54 -0.16 1.24 0.54 0.98 0.00 0.00 173.24 176.38 2d9f n ARG 33 N 1.71 1.52 0.00 4.02 5.12 -1.26 -3.73 116.66 124.03 2d9f n ARG 33 Ca -0.11 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 2d9f n ARG 33 Cb 0.57 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2d9f n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2d9f n PRO 34 N 1.72 0.03 -4.39 5.56 -0.04 -1.26 -4.98 135.00 131.64 2d9f n PRO 34 Ca 0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.33 2d9f n PRO 34 Cb 0.28 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.63 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 -0.48 2.63 -0.29 0.52 0.11 -1.26 -5.02 120.40 116.61 2d9f s VAL 35 Ca 0.00 -2.01 -0.24 0.00 -2.93 0.00 0.00 61.98 56.80 2d9f s VAL 35 Cb 0.00 -2.30 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 2d9f s VAL 35 CO 0.00 -0.18 0.81 -0.75 -3.33 0.00 0.00 175.10 171.65 2d9f s LYS 36 N -2.92 4.02 0.00 1.54 2.20 -1.26 -3.79 119.74 119.53 2d9f s LYS 36 Ca 0.24 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2d9f s LYS 36 Cb -0.07 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2d9f s LYS 36 CO 0.13 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2d9f n GLY 37 N 4.08 1.46 3.79 5.54 0.00 0.26 -4.90 105.19 115.43 2d9f n GLY 37 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.09 2.24 -0.59 1.61 -0.21 -1.25 -4.84 119.66 116.53 2d9f s GLN 38 Ca 0.00 -1.97 -0.25 0.00 0.02 0.00 0.00 55.36 53.16 2d9f s GLN 38 Cb 0.00 -1.95 0.04 0.00 1.00 0.00 0.00 33.01 32.10 2d9f s GLN 38 CO 0.00 -0.29 1.04 0.08 -2.12 0.00 0.00 175.29 174.00 2d9f s VAL 39 N -2.69 4.22 -0.16 1.09 1.01 0.31 -2.87 120.40 121.31 2d9f s VAL 39 Ca 0.34 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2d9f s VAL 39 Cb 0.02 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2d9f s VAL 39 CO 0.19 -1.29 0.07 0.68 0.00 0.00 0.00 175.10 174.75 2d9f s VAL 40 N 4.39 4.89 -0.19 2.92 -7.23 -0.92 -1.45 120.40 122.82 2d9f s VAL 40 Ca 0.33 -0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 2d9f s VAL 40 Cb -0.11 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.67 2d9f s VAL 40 CO 0.19 0.50 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.41 2d9f s THR 41 N 0.01 2.17 0.25 5.32 2.01 -1.07 -2.40 115.64 121.93 2d9f s THR 41 Ca 0.06 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2d9f s THR 41 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2d9f s THR 41 CO 0.01 0.49 0.18 0.68 -0.69 0.00 0.00 174.62 175.28 2d9f s VAL 42 N 1.29 0.03 -0.38 3.82 -7.23 -0.08 -2.66 120.40 115.18 2d9f s VAL 42 Ca 0.04 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 2d9f s VAL 42 Cb -0.14 -2.50 0.07 0.00 0.56 0.00 0.00 36.38 34.37 2d9f s VAL 42 CO -0.12 0.00 0.19 -2.28 -0.31 0.00 0.00 175.10 172.58 2d9f s HIS 43 N -3.88 3.35 0.12 2.82 2.46 -1.17 -1.36 115.29 117.63 2d9f s HIS 43 Ca 0.39 -1.68 0.03 0.00 0.47 0.00 0.00 55.06 54.28 2d9f s HIS 43 Cb 0.05 -2.74 -0.04 0.00 -0.13 0.00 0.00 32.58 29.72 2d9f s HIS 43 CO 0.18 -0.83 0.15 -0.48 -2.47 0.00 0.00 174.74 171.28 2d9f s LEU 44 N 1.36 3.96 -0.20 8.88 -0.00 -1.07 -3.69 118.68 127.92 2d9f s LEU 44 Ca 0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 54.13 54.12 2d9f s LEU 44 Cb -0.22 -2.59 0.10 0.00 -0.00 0.00 0.00 46.19 43.48 2d9f s LEU 44 CO 0.01 0.12 0.32 -1.10 -0.00 0.00 0.00 176.35 175.70 2d9f s GLN 45 N -2.80 0.26 -0.08 1.48 -0.21 -1.25 -1.87 119.66 115.19 2d9f s GLN 45 Ca 0.31 0.61 -0.19 0.00 0.02 0.00 0.00 55.36 56.11 2d9f s GLN 45 Cb -0.11 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.47 2d9f s GLN 45 CO 0.24 -0.49 0.51 0.99 -2.12 0.00 0.00 175.29 174.43 2d9f s THR 46 N 2.48 5.12 -0.09 -0.19 2.01 0.30 -3.79 115.64 121.48 2d9f s THR 46 Ca 0.06 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.95 2d9f s THR 46 Cb -0.14 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.55 2d9f s THR 46 CO -0.13 0.35 0.38 -0.94 -0.69 0.00 0.00 174.62 173.59 2d9f s SER 47 N 0.37 -0.34 0.70 3.53 1.04 -1.00 -0.88 113.70 117.11 2d9f s SER 47 Ca 0.28 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 2d9f s SER 47 Cb -0.16 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2d9f s SER 47 CO 0.12 -0.29 1.16 -0.76 0.98 0.00 0.00 173.24 174.45 2d9f s LEU 48 N -0.49 3.35 0.66 2.42 2.01 -0.89 -0.41 118.68 125.32 2d9f s LEU 48 Ca -0.06 2.18 0.37 0.00 0.01 0.00 0.00 54.13 56.64 2d9f s LEU 48 Cb -0.04 -4.57 2.06 0.00 0.01 0.00 0.00 46.19 43.65 2d9f s LEU 48 CO 0.03 -1.96 2.19 -0.08 1.01 0.00 0.00 176.35 177.54 2d9f h GLU 49 N -0.13 0.00 0.09 1.70 4.22 -1.93 -1.74 114.58 116.79 2d9f h GLU 49 Ca -0.47 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 58.80 2d9f h GLU 49 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2d9f h GLU 49 CO 0.52 0.00 -0.83 -2.95 -2.18 0.00 0.00 179.01 173.57 2d9f h ASN 50 N 0.00 0.28 0.00 1.04 7.08 -1.93 -3.49 115.58 118.57 2d9f h ASN 50 Ca 0.01 -0.89 0.00 0.00 -3.08 0.00 0.00 56.30 52.34 2d9f h ASN 50 Cb 0.28 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.43 2d9f h ASN 50 CO -0.00 1.37 0.00 0.61 -2.08 0.00 0.00 177.43 177.33 2d9f n GLY 51 N 1.65 0.08 2.98 9.14 0.00 -0.65 -5.12 105.19 113.26 2d9f n GLY 51 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.13 2.50 -0.24 2.61 2.01 -1.25 -4.89 115.64 116.24 2d9f s THR 52 Ca 0.00 -2.92 -0.35 0.00 0.31 0.00 0.00 61.69 58.74 2d9f s THR 52 Cb 0.00 -2.77 -0.11 0.00 0.01 0.00 0.00 72.50 69.62 2d9f s THR 52 CO 0.00 -0.72 2.03 0.54 -0.69 0.00 0.00 174.62 175.78 2d9f n ARG 53 N 3.58 1.56 0.05 4.92 1.74 -1.26 -2.11 116.66 125.14 2d9f n ARG 53 Ca 0.05 0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 57.48 2d9f n ARG 53 Cb 0.36 -2.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.10 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 6.29 1.07 -2.11 1.55 2.07 -1.36 -3.48 116.25 120.29 2d9f h VAL 54 Ca -0.39 -2.75 0.05 0.00 0.82 0.00 0.00 66.70 64.43 2d9f h VAL 54 Cb 1.30 2.69 -0.18 0.00 -1.52 0.00 0.00 31.29 33.57 2d9f h VAL 54 CO 0.98 0.79 0.41 0.00 0.02 0.00 0.00 177.57 179.77 2d9f s GLN 55 N -2.61 0.86 0.02 1.57 -2.07 -1.09 -4.86 119.66 111.48 2d9f s GLN 55 Ca -0.10 -0.08 -0.05 0.00 -1.82 0.00 0.00 55.36 53.32 2d9f s GLN 55 Cb 0.07 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2d9f s GLN 55 CO 0.84 -0.33 0.09 -1.83 -1.32 0.00 0.00 175.29 172.74 2d9f s GLU 56 N -2.21 0.51 -0.25 9.60 1.03 -1.26 -0.54 118.70 125.57 2d9f s GLU 56 Ca -0.01 -0.60 -0.02 0.00 0.03 0.00 0.00 54.97 54.37 2d9f s GLU 56 Cb -0.01 0.20 0.14 0.00 -0.80 0.00 0.00 34.13 33.67 2d9f s GLU 56 CO -0.02 -0.12 0.39 -2.00 -1.33 0.00 0.00 175.26 172.18 2d9f s GLU 57 N -1.99 0.37 0.19 -4.83 2.56 -0.78 -5.02 118.70 109.21 2d9f s GLU 57 Ca -0.10 0.49 -0.05 0.00 0.00 0.00 0.00 54.97 55.32 2d9f s GLU 57 Cb -0.05 -0.41 0.12 0.00 2.00 0.00 0.00 34.13 35.80 2d9f s GLU 57 CO -0.02 -0.70 1.55 -1.00 -0.56 0.00 0.00 175.26 174.53 2d9f h PRO 58 N 8.17 0.68 -2.72 4.30 0.13 -1.88 -2.83 132.00 137.85 2d9f h PRO 58 Ca -0.18 -0.36 -0.61 0.00 -0.87 0.00 0.00 66.00 63.98 2d9f h PRO 58 Cb 1.15 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.87 2d9f h PRO 58 CO 0.27 0.97 -0.61 -1.91 -0.23 0.00 0.00 178.00 176.49 2d9f n GLU 59 N -4.03 1.96 -3.27 0.86 2.13 -1.26 -4.32 120.64 112.71 2d9f n GLU 59 Ca -0.02 -4.45 -0.39 0.00 0.66 0.00 0.00 57.16 52.96 2d9f n GLU 59 Cb 0.53 -2.22 -0.07 0.00 0.27 0.00 0.00 31.44 29.96 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 -1.73 4.13 0.10 4.31 1.98 -0.46 -4.96 118.68 122.05 2d9f s LEU 60 Ca 0.31 0.62 0.09 0.00 -2.89 0.00 0.00 54.13 52.25 2d9f s LEU 60 Cb 0.03 -2.66 -0.03 0.00 0.66 0.00 0.00 46.19 44.19 2d9f s LEU 60 CO -0.12 -0.18 -0.23 0.54 -1.89 0.00 0.00 176.35 174.48 2d9f s VAL 61 N 1.68 1.89 0.15 1.68 0.11 -1.26 -0.90 120.40 123.75 2d9f s VAL 61 Ca 0.23 -1.55 -0.25 0.00 -2.93 0.00 0.00 61.98 57.48 2d9f s VAL 61 Cb -0.15 -1.68 0.06 0.00 -1.53 0.00 0.00 36.38 33.08 2d9f s VAL 61 CO 0.09 0.05 0.95 0.72 -3.33 0.00 0.00 175.10 173.58 2d9f s PHE 62 N -1.06 -0.14 -0.58 1.54 -0.12 -1.01 -5.01 117.98 111.60 2d9f s PHE 62 Ca 0.09 -0.16 -0.15 0.00 -0.05 0.00 0.00 56.93 56.66 2d9f s PHE 62 Cb -0.10 0.64 0.14 0.00 -0.63 0.00 0.00 43.02 43.07 2d9f s PHE 62 CO 0.04 -0.82 0.52 0.99 -0.05 0.00 0.00 175.22 175.91 2d9f s THR 63 N -3.28 5.14 0.11 -4.49 2.01 -1.26 -2.16 115.64 111.71 2d9f s THR 63 Ca 0.12 -1.70 -0.36 0.00 0.31 0.00 0.00 61.69 60.06 2d9f s THR 63 Cb -0.01 -4.29 -0.16 0.00 0.01 0.00 0.00 72.50 68.05 2d9f s THR 63 CO 0.02 -0.88 1.35 -0.11 -0.69 0.00 0.00 174.62 174.30 2d9f n LEU 64 N 4.99 1.82 0.00 4.42 7.94 -1.14 -1.54 117.00 133.49 2d9f n LEU 64 Ca -0.09 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2d9f n LEU 64 Cb 0.41 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2d9f n LEU 64 CO 0.49 -0.98 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 2d9f n GLY 65 N 2.56 1.41 0.83 -3.96 0.00 -1.26 0.92 105.19 105.69 2d9f n GLY 65 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2d9f n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d9f n ASP 66 N 0.00 3.38 -3.84 1.61 9.92 -0.59 -4.96 116.55 122.08 2d9f n ASP 66 Ca 0.00 -2.27 -0.29 0.00 -0.53 0.00 0.00 54.79 51.70 2d9f n ASP 66 Cb 0.00 -0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 40.09 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d9f n ASP 68 N -2.26 0.00 -4.05 0.00 8.00 -1.26 -4.73 116.55 112.24 2d9f n ASP 68 Ca 0.06 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.61 2d9f n ASP 68 Cb 0.49 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2d9f n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2d9f s VAL 69 N -2.73 0.48 0.45 2.53 -7.23 -1.26 -5.00 120.40 107.65 2d9f s VAL 69 Ca 0.09 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 2d9f s VAL 69 Cb 0.07 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.38 2d9f s VAL 69 CO 0.18 0.00 0.27 -0.38 -0.31 0.00 0.00 175.10 174.86 2d9f n ILE 70 N -0.68 1.15 0.41 -0.62 2.08 -1.26 -4.63 119.36 115.81 2d9f n ILE 70 Ca -0.01 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.91 2d9f n ILE 70 Cb 0.65 -0.28 0.46 0.00 -0.75 0.00 0.00 39.64 39.72 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 0.91 0.16 0.02 0.38 6.02 -0.98 -1.43 117.38 122.47 2d9f n GLN 71 Ca 0.11 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.61 2d9f n GLN 71 Cb 0.42 -1.81 0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 3.54 -0.13 -1.58 0.00 -1.25 -3.16 120.51 116.20 2d9f n ALA 72 Ca 0.02 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 2d9f n ALA 72 Cb 0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.83 2.92 0.05 0.00 7.94 -0.81 -3.99 117.00 121.28 2d9f n LEU 73 Ca 0.03 -0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 54.70 2d9f n LEU 73 Cb 0.41 -0.87 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 2d9f n LEU 73 CO 0.39 0.91 0.29 -0.78 -1.11 0.00 0.00 177.39 177.08 2d9f h ASP 74 N -0.05 0.56 0.14 1.96 1.82 -1.43 0.96 116.42 120.37 2d9f h ASP 74 Ca -0.57 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 55.68 2d9f h ASP 74 Cb 1.86 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.70 2d9f h ASP 74 CO -0.11 1.16 0.00 0.18 -1.61 0.00 0.00 179.24 178.87 2d9f n LEU 75 N -3.82 0.00 -0.01 2.28 4.32 -1.19 -3.37 117.00 115.20 2d9f n LEU 75 Ca -0.05 0.07 -0.01 0.00 -0.02 0.00 0.00 56.01 56.00 2d9f n LEU 75 Cb 0.75 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.45 2d9f n LEU 75 CO 0.50 -0.00 -0.60 -1.54 -1.22 0.00 0.00 177.39 174.53 2d9f n SER 76 N -1.07 4.05 0.13 -1.43 3.41 -1.12 -4.60 113.62 112.98 2d9f n SER 76 Ca 0.22 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 2d9f n SER 76 Cb 0.14 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.19 0.00 -3.33 2.07 -0.82 -0.15 116.25 114.21 2d9f h VAL 77 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2d9f h VAL 77 Cb 0.89 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2d9f h VAL 77 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2d9f n PRO 78 N -5.46 0.49 -0.15 1.57 -0.04 -1.26 -1.89 135.00 128.26 2d9f n PRO 78 Ca -0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2d9f n PRO 78 Cb 0.37 -1.43 0.17 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.93 3.12 -4.09 1.53 4.77 -0.08 -4.86 117.00 116.46 2d9f n LEU 79 Ca 0.10 -1.49 -0.16 0.00 -0.03 0.00 0.00 56.01 54.43 2d9f n LEU 79 Cb 0.05 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 2d9f n LEU 79 CO 0.08 0.68 -0.43 0.00 -1.33 0.00 0.00 177.39 176.38 2d9f s MET 80 N -1.32 0.67 0.67 3.23 0.23 -0.79 -5.07 119.30 116.92 2d9f s MET 80 Ca 0.32 -0.70 -0.11 0.00 -1.03 0.00 0.00 55.69 54.17 2d9f s MET 80 Cb 0.19 -0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 32.90 2d9f s MET 80 CO 0.26 0.13 1.05 -0.51 -2.03 0.00 0.00 175.02 173.92 2d9f s ASP 81 N -1.24 5.66 -0.37 -1.18 1.01 -1.26 -4.55 116.67 114.74 2d9f s ASP 81 Ca -0.04 1.57 -0.28 0.00 0.71 0.00 0.00 52.55 54.52 2d9f s ASP 81 Cb -0.08 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2d9f s ASP 81 CO 0.01 -1.26 1.66 0.54 0.21 0.00 0.00 175.17 176.33 2d9f s VAL 82 N -3.04 3.63 0.00 -1.27 0.11 -1.24 -2.24 120.40 116.34 2d9f s VAL 82 Ca 0.58 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 2d9f s VAL 82 Cb -0.13 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2d9f s VAL 82 CO 0.53 -0.55 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 2d9f n GLY 83 N 5.31 0.86 3.49 6.54 0.00 0.80 -4.65 105.19 117.53 2d9f n GLY 83 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 3.69 -0.07 1.61 2.12 -0.95 -4.41 118.70 120.29 2d9f s GLU 84 Ca 0.00 -0.49 -0.26 0.00 0.36 0.00 0.00 54.97 54.59 2d9f s GLU 84 Cb 0.00 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2d9f s GLU 84 CO 0.00 0.08 0.82 0.99 -0.54 0.00 0.00 175.26 176.61 2d9f s THR 85 N 0.82 4.96 -0.00 -1.70 2.01 0.36 -3.94 115.64 118.14 2d9f s THR 85 Ca 0.01 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2d9f s THR 85 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2d9f s THR 85 CO 0.02 0.17 -0.00 0.00 -0.69 0.00 0.00 174.62 174.12 2d9f s ALA 86 N 1.17 0.04 0.30 7.40 0.00 0.03 0.02 121.76 130.72 2d9f s ALA 86 Ca 0.42 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2d9f s ALA 86 Cb -0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2d9f s ALA 86 CO 0.20 0.01 0.45 1.41 0.00 0.00 0.00 175.76 177.82 2d9f s MET 87 N 0.01 3.34 -0.09 0.00 -2.45 0.51 0.17 119.30 120.79 2d9f s MET 87 Ca -0.00 -0.72 -0.04 0.00 -1.25 0.00 0.00 55.69 53.67 2d9f s MET 87 Cb -0.00 -2.81 0.04 0.00 1.25 0.00 0.00 34.83 33.31 2d9f s MET 87 CO -0.00 0.23 0.21 0.14 1.05 0.00 0.00 175.02 176.65 2d9f s VAL 88 N -2.13 -0.05 -0.30 10.11 -7.23 0.49 -1.21 120.40 120.06 2d9f s VAL 88 Ca 0.39 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.72 2d9f s VAL 88 Cb -0.09 -0.33 0.10 0.00 0.56 0.00 0.00 36.38 36.62 2d9f s VAL 88 CO 0.31 0.07 0.08 0.42 -0.31 0.00 0.00 175.10 175.67 2d9f s THR 89 N 1.27 1.10 0.37 5.32 -4.23 -0.95 -1.85 115.64 116.67 2d9f s THR 89 Ca -0.09 -1.49 0.08 0.00 -1.18 0.00 0.00 61.69 59.02 2d9f s THR 89 Cb -0.11 -1.79 -0.07 0.00 1.34 0.00 0.00 72.50 71.87 2d9f s THR 89 CO -0.08 -0.61 -0.04 0.00 -0.54 0.00 0.00 174.62 173.35 2d9f s ALA 90 N 1.51 3.03 0.37 3.99 0.00 -1.24 -2.75 121.76 126.67 2d9f s ALA 90 Ca 0.09 -2.19 -0.25 0.00 0.00 0.00 0.00 51.96 49.61 2d9f s ALA 90 Cb -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 2d9f s ALA 90 CO -0.21 -0.03 1.06 0.34 0.00 0.00 0.00 175.76 176.92 2d9f s ASP 91 N -3.65 6.88 0.40 0.00 2.15 -1.26 -3.62 116.67 117.57 2d9f s ASP 91 Ca 0.34 2.08 0.35 0.00 0.43 0.00 0.00 52.55 55.75 2d9f s ASP 91 Cb 0.06 -2.59 1.30 0.00 -0.30 0.00 0.00 42.92 41.39 2d9f s ASP 91 CO 0.17 -0.40 1.23 -0.24 -0.17 0.00 0.00 175.17 175.76 2d9f n SER 92 N 0.23 0.06 -0.18 -0.34 2.88 -1.26 0.92 113.62 115.93 2d9f n SER 92 Ca 0.04 0.90 -0.02 0.00 -1.33 0.00 0.00 58.87 58.46 2d9f n SER 92 Cb 0.49 -0.45 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.02 0.00 -1.46 2.10 -1.89 0.27 116.57 115.61 2d9f h LYS 93 Ca 0.73 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.38 2d9f h LYS 93 Cb 2.71 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 34.04 2d9f h LYS 93 CO -0.15 0.02 -0.06 1.88 -2.00 0.00 0.00 179.45 179.14 2d9f h TYR 94 N 0.02 0.00 0.00 0.07 0.05 0.19 -3.25 116.97 114.06 2d9f h TYR 94 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2d9f h TYR 94 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2d9f h TYR 94 CO -0.44 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 176.67 2d9f n TYR 96 N -1.56 0.00 0.00 0.00 4.01 0.28 -4.53 117.16 115.36 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 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.90 3.84 0.00 2.72 0.00 0.08 -4.75 105.19 108.99 2d9f n GLY 97 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.55 0.49 -0.10 1.61 -0.04 -1.26 -2.39 135.00 131.76 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 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.89 0.75 0.00 0.54 10.64 -1.26 -4.54 117.38 122.61 2d9f n GLN 99 Ca 0.09 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2d9f n GLN 99 Cb 0.04 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 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 1.94 1.21 3.61 2.61 0.00 -1.01 -4.66 105.19 108.89 2d9f n GLY 100 Ca -0.36 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.15 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 3.33 0.24 1.61 0.15 -1.15 -4.58 113.70 113.30 2d9f s SER 101 Ca 0.00 -1.59 0.07 0.00 0.70 0.00 0.00 55.95 55.13 2d9f s SER 101 Cb 0.00 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2d9f s SER 101 CO 0.00 -0.80 0.16 -0.13 1.20 0.00 0.00 173.24 173.67 2d9f s ARG 102 N -3.80 2.84 -0.26 5.44 1.81 -1.26 -3.79 118.95 119.92 2d9f s ARG 102 Ca 0.21 -1.06 -0.23 0.00 -1.72 0.00 0.00 55.73 52.92 2d9f s ARG 102 Cb 0.04 -2.53 -0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2d9f s ARG 102 CO 0.11 0.41 1.10 0.43 -0.68 0.00 0.00 175.30 176.67 2d9f n SER 103 N -0.97 0.42 -4.70 0.23 7.64 -1.26 -3.13 113.62 111.84 2d9f n SER 103 Ca -0.08 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2d9f n SER 103 Cb 0.57 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 3.01 4.31 0.41 1.43 0.04 -1.26 -5.13 135.00 137.80 2d9f s PRO 104 Ca 0.63 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.46 2d9f s PRO 104 Cb -0.79 -3.39 -0.09 0.00 0.04 0.00 0.00 34.50 30.27 2d9f s PRO 104 CO 0.36 -0.49 1.06 -0.47 0.04 0.00 0.00 177.00 177.49 2d9f s TYR 105 N 1.66 3.21 -0.01 0.56 6.14 -1.19 -4.81 117.35 122.91 2d9f s TYR 105 Ca 0.64 1.63 -0.01 0.00 0.64 0.00 0.00 57.07 59.97 2d9f s TYR 105 Cb -0.35 -3.14 0.00 0.00 0.42 0.00 0.00 41.96 38.90 2d9f s TYR 105 CO 0.29 -0.72 0.03 0.96 0.64 0.00 0.00 175.55 176.75 2d9f s ILE 106 N -1.69 0.01 0.46 3.14 -5.25 -1.25 -4.94 121.20 111.68 2d9f s ILE 106 Ca 0.59 -0.10 -0.23 0.00 -0.99 0.00 0.00 60.65 59.92 2d9f s ILE 106 Cb -0.22 -0.08 -0.07 0.00 2.95 0.00 0.00 42.46 45.04 2d9f s ILE 106 CO 0.27 -0.05 1.17 -2.16 -1.79 0.00 0.00 174.94 172.37 2d9f s PRO 107 N -0.15 3.78 0.72 0.37 0.04 -1.26 -2.95 135.00 135.55 2d9f s PRO 107 Ca -0.02 1.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2d9f s PRO 107 Cb -0.01 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.13 2d9f s PRO 107 CO -0.00 -0.54 1.10 -1.25 0.04 0.00 0.00 177.00 176.35 2d9f s PRO 108 N -2.67 2.52 -0.82 0.56 0.04 -1.26 -3.20 135.00 130.18 2d9f s PRO 108 Ca 0.63 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2d9f s PRO 108 Cb -0.29 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 108 CO 0.35 -1.45 0.00 0.72 0.04 0.00 0.00 177.00 176.66 2d9f n HIS 109 N -2.99 -1.18 -3.59 0.56 8.25 -1.26 -4.88 115.22 110.13 2d9f n HIS 109 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 2d9f n HIS 109 Cb 0.52 -2.16 -0.08 0.00 1.12 0.00 0.00 29.99 29.39 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 -2.15 3.46 0.93 -1.41 0.00 -1.19 -4.74 121.76 116.65 2d9f s ALA 110 Ca 0.00 -2.75 -0.15 0.00 0.00 0.00 0.00 51.96 49.05 2d9f s ALA 110 Cb 0.00 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.25 2d9f s ALA 110 CO 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 175.76 173.62 2d9f n ALA 111 N 4.50 -3.89 -3.67 0.00 0.00 -1.26 -4.12 120.51 112.07 2d9f n ALA 111 Ca -0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 2d9f n ALA 111 Cb 0.41 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 3.51 0.20 -0.11 0.00 1.43 -1.24 -3.76 118.68 118.71 2d9f s LEU 112 Ca 0.50 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 2d9f s LEU 112 Cb -0.22 1.05 -0.02 0.00 0.03 0.00 0.00 46.19 47.04 2d9f s LEU 112 CO 0.74 -0.17 0.93 0.00 0.23 0.00 0.00 176.35 178.07 2d9f s LEU 114 N 1.84 2.05 -0.13 0.00 1.43 -0.77 -2.39 118.68 120.71 2d9f s LEU 114 Ca 0.45 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2d9f s LEU 114 Cb -0.18 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 2d9f s LEU 114 CO 0.17 0.16 -0.14 -0.70 0.23 0.00 0.00 176.35 176.07 2d9f s GLU 115 N -0.48 3.32 -0.18 1.70 2.56 -1.25 -0.38 118.70 124.00 2d9f s GLU 115 Ca 0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 54.97 54.26 2d9f s GLU 115 Cb -0.06 -2.60 -0.03 0.00 2.00 0.00 0.00 34.13 33.44 2d9f s GLU 115 CO -0.00 0.17 -0.01 0.08 -0.56 0.00 0.00 175.26 174.94 2d9f s VAL 116 N 0.44 4.01 -0.36 3.70 1.01 0.13 -3.76 120.40 125.56 2d9f s VAL 116 Ca -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2d9f s VAL 116 Cb -0.16 -2.78 0.11 0.00 0.00 0.00 0.00 36.38 33.55 2d9f s VAL 116 CO 0.05 0.46 0.15 -0.89 0.00 0.00 0.00 175.10 174.87 2d9f s THR 117 N 0.63 1.10 -0.41 3.92 2.01 -1.24 -0.79 115.64 120.85 2d9f s THR 117 Ca -0.01 -1.87 -0.28 0.00 0.31 0.00 0.00 61.69 59.84 2d9f s THR 117 Cb -0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 2d9f s THR 117 CO 0.02 -0.77 1.73 -0.22 -0.69 0.00 0.00 174.62 174.69 2d9f s LEU 118 N 1.10 3.47 -0.11 4.42 1.98 -1.25 -3.02 118.68 125.27 2d9f s LEU 118 Ca 0.13 0.99 -0.07 0.00 -2.89 0.00 0.00 54.13 52.29 2d9f s LEU 118 Cb -0.20 -3.30 -0.02 0.00 0.66 0.00 0.00 46.19 43.32 2d9f s LEU 118 CO -0.14 -1.80 -0.13 0.11 -1.89 0.00 0.00 176.35 172.50 2d9f h LYS 119 N 12.85 0.00 -2.88 1.98 1.79 -1.88 0.23 116.57 128.65 2d9f h LYS 119 Ca -0.31 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.05 2d9f h LYS 119 Cb 1.15 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.59 2d9f h LYS 119 CO 1.08 0.00 -0.24 0.95 -1.08 0.00 0.00 179.45 180.17 2d9f s THR 120 N -1.95 0.03 -0.17 -0.16 -4.23 -1.24 -4.49 115.64 103.43 2d9f s THR 120 Ca -0.11 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2d9f s THR 120 Cb 0.02 -0.61 0.04 0.00 1.34 0.00 0.00 72.50 73.28 2d9f s THR 120 CO 0.17 -0.15 -0.10 0.00 -0.54 0.00 0.00 174.62 174.00 2d9f s ALA 121 N -0.77 1.82 0.31 3.99 0.00 -1.26 -2.60 121.76 123.26 2d9f s ALA 121 Ca -0.08 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2d9f s ALA 121 Cb -0.04 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2d9f s ALA 121 CO 0.03 -0.68 0.17 0.14 0.00 0.00 0.00 175.76 175.42 2d9f s VAL 122 N 1.49 0.29 -0.12 0.00 -7.23 -0.53 -4.98 120.40 109.31 2d9f s VAL 122 Ca 0.01 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.36 2d9f s VAL 122 Cb -0.15 -2.49 -0.19 0.00 0.56 0.00 0.00 36.38 34.11 2d9f s VAL 122 CO -0.09 0.00 0.61 -0.67 -0.31 0.00 0.00 175.10 174.65 2d9f n ASP 123 N -1.03 0.55 -4.77 4.85 2.03 -1.26 0.11 116.55 117.03 2d9f n ASP 123 Ca 0.01 0.24 -0.40 0.00 0.52 0.00 0.00 54.79 55.17 2d9f n ASP 123 Cb 0.64 0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 41.62 2d9f n ASP 123 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2d9f s ARG 124 N -2.92 4.33 0.75 -0.67 0.52 -1.26 -4.49 118.95 115.21 2d9f s ARG 124 Ca -0.05 1.97 -0.11 0.00 -0.52 0.00 0.00 55.73 57.01 2d9f s ARG 124 Cb 0.09 -2.97 0.05 0.00 0.52 0.00 0.00 34.95 32.64 2d9f s ARG 124 CO 0.83 -0.12 1.09 -1.25 0.02 0.00 0.00 175.30 175.88 2d9f s PRO 125 N -1.87 2.35 -0.07 3.54 0.04 -1.26 -4.75 135.00 132.98 2d9f s PRO 125 Ca 0.50 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 2d9f s PRO 125 Cb -0.34 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2d9f s PRO 125 CO 0.44 -1.57 -0.08 -0.25 0.04 0.00 0.00 177.00 175.58 2d9f n ASP 126 N -3.32 1.20 -4.42 6.66 8.00 -1.26 -4.93 116.55 118.48 2d9f n ASP 126 Ca 0.09 0.06 -0.44 0.00 0.71 0.00 0.00 54.79 55.21 2d9f n ASP 126 Cb 0.53 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d9f s LEU 127 N -6.14 5.06 0.92 0.64 2.96 -1.26 -5.05 118.68 115.82 2d9f s LEU 127 Ca -0.09 -1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 52.56 2d9f s LEU 127 Cb 0.03 -2.39 0.20 0.00 0.50 0.00 0.00 46.19 44.53 2d9f s LEU 127 CO 0.13 -1.07 1.26 -1.83 -1.32 0.00 0.00 176.35 173.52 2d9f s GLU 128 N 2.86 0.70 -0.18 1.98 -1.05 -1.26 -5.11 118.70 116.64 2d9f s GLU 128 Ca 0.15 -0.74 -0.13 0.00 -0.15 0.00 0.00 54.97 54.11 2d9f s GLU 128 Cb -0.21 -1.97 0.05 0.00 -0.44 0.00 0.00 34.13 31.56 2d9f s GLU 128 CO 0.09 -2.29 0.45 1.41 0.95 0.00 0.00 175.26 175.88 2d9f s MET 129 N -5.73 0.48 1.27 -4.83 1.75 -1.26 -5.17 119.30 105.81 2d9f s MET 129 Ca 0.74 0.76 -0.20 0.00 -1.25 0.00 0.00 55.69 55.75 2d9f s MET 129 Cb -0.03 0.11 0.31 0.00 2.84 0.00 0.00 34.83 38.06 2d9f s MET 129 CO 0.51 -0.12 1.04 0.45 -0.65 0.00 0.00 175.02 176.26 2d9f s SER 130 N 0.94 0.30 0.44 1.11 0.15 -1.26 -4.79 113.70 110.60 2d9f s SER 130 Ca -0.06 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2d9f s SER 130 Cb -0.06 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2d9f s SER 130 CO -0.08 -4.52 0.00 0.61 1.20 0.00 0.00 173.24 170.45 2d9f n GLY 131 N -0.04 -0.90 3.65 9.45 0.00 -1.26 -4.55 105.19 111.55 2d9f n GLY 131 Ca 0.12 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.87 4.12 0.13 1.61 0.04 -1.26 -5.00 135.00 133.78 2d9f s PRO 132 Ca 0.00 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 2d9f s PRO 132 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2d9f s PRO 132 CO 0.00 -0.90 0.06 -1.12 0.04 0.00 0.00 177.00 175.08 2d9f s SER 133 N 3.15 0.31 -0.05 6.66 0.01 -1.26 -5.16 113.70 117.36 2d9f s SER 133 Ca 0.68 -1.22 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 2d9f s SER 133 Cb -0.29 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.27 2d9f s SER 133 CO 0.25 -0.73 -0.00 -0.94 0.41 0.00 0.00 173.24 172.23 2d9f s SER 134 N -3.06 1.09 0.00 2.44 1.04 -1.26 -5.15 113.70 108.80 2d9f s SER 134 Ca 0.25 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2d9f s SER 134 Cb 0.07 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2d9f s SER 134 CO 0.02 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.71