#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doc s SER 2 N 0.00 -0.33 -0.05 1.61 0.15 -1.26 -5.17 113.70 108.65 2doc s SER 2 Ca 0.00 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.27 2doc s SER 2 Cb 0.00 0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2doc s SER 2 CO 0.00 -1.20 -0.21 -0.44 1.20 0.00 0.00 173.24 172.58 2doc s SER 3 N -2.87 3.42 -0.12 5.45 0.01 -1.26 -4.93 113.70 113.40 2doc s SER 3 Ca 0.09 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 2doc s SER 3 Cb -0.04 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.49 2doc s SER 3 CO 0.02 0.29 0.17 0.61 0.41 0.00 0.00 173.24 174.74 2doc n GLY 4 N 2.63 -4.86 0.30 3.44 0.00 -1.26 -4.94 105.19 100.51 2doc n GLY 4 Ca -0.17 1.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.99 2doc n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2doc h SER 5 N 4.26 -0.63 -3.55 1.61 0.87 -2.06 -3.42 113.55 110.63 2doc h SER 5 Ca -0.39 0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.58 2doc h SER 5 Cb 0.87 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.85 2doc h SER 5 CO 0.01 -0.32 -0.51 -0.44 -0.53 0.00 0.00 176.83 175.04 2doc s SER 6 N -4.06 6.08 0.02 6.23 0.01 -1.26 -5.09 113.70 115.64 2doc s SER 6 Ca -0.11 0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.31 2doc s SER 6 Cb 0.01 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 2doc s SER 6 CO 0.32 0.08 -0.13 -0.83 0.41 0.00 0.00 173.24 173.09 2doc s GLY 7 N 0.98 0.70 0.00 3.44 0.00 -1.26 -5.02 107.32 106.16 2doc s GLY 7 Ca 0.07 -0.71 0.23 0.00 0.00 0.00 0.00 44.72 44.31 2doc s GLY 7 CO 0.04 -0.67 1.46 -0.18 0.00 0.00 0.00 173.10 173.75 2doc n GLN 8 N 2.19 2.14 0.00 2.90 7.27 -1.26 -3.94 117.38 126.68 2doc n GLN 8 Ca -0.17 -1.70 0.00 0.00 0.07 0.00 0.00 57.00 55.20 2doc n GLN 8 Cb 0.55 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.74 2doc n GLN 8 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2doc n GLU 9 N 0.95 0.05 -0.40 3.69 1.02 -1.26 -4.50 120.64 120.19 2doc n GLU 9 Ca 0.17 -0.60 0.36 0.00 -0.02 0.00 0.00 57.16 57.08 2doc n GLU 9 Cb 0.49 -0.86 0.64 0.00 -0.02 0.00 0.00 31.44 31.68 2doc n GLU 9 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2doc h TYR 10 N 0.00 0.66 0.00 -0.32 -0.00 -1.99 -2.62 116.97 112.69 2doc h TYR 10 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2doc h TYR 10 Cb 0.27 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 2doc h TYR 10 CO 0.00 -0.37 -0.39 -0.89 -0.00 0.00 0.00 178.16 176.51 2doc n ILE 11 N -4.97 0.00 0.21 -0.90 2.08 -1.26 -4.70 119.36 109.82 2doc n ILE 11 Ca 0.39 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.88 2doc n ILE 11 Cb 1.43 -0.30 0.75 0.00 -0.75 0.00 0.00 39.64 40.77 2doc n ILE 11 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2doc h LEU 12 N 0.00 0.00 0.05 1.39 3.38 -1.78 0.63 115.31 118.97 2doc h LEU 12 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2doc h LEU 12 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2doc h LEU 12 CO 0.00 0.00 -1.54 0.00 0.09 0.00 0.00 178.44 176.99 2doc h ALA 13 N 1.34 0.51 -0.59 1.53 0.00 -1.76 -3.32 119.26 116.96 2doc h ALA 13 Ca 0.10 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2doc h ALA 13 Cb 0.97 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2doc h ALA 13 CO -0.00 1.37 0.00 1.28 0.00 0.00 0.00 179.25 181.89 2doc n LEU 14 N -3.27 4.60 0.00 0.00 4.77 0.12 -4.97 117.00 118.25 2doc n LEU 14 Ca -0.15 -2.48 -0.19 0.00 -0.03 0.00 0.00 56.01 53.17 2doc n LEU 14 Cb 1.03 -0.55 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 2doc n LEU 14 CO 0.47 0.79 0.52 0.00 -1.33 0.00 0.00 177.39 177.84 2doc n ALA 15 N 0.93 -0.59 -3.54 -1.18 0.00 0.18 -4.93 120.51 111.38 2doc n ALA 15 Ca 0.24 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 2doc n ALA 15 Cb 0.87 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 2doc n ALA 15 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2doc s ASP 16 N -4.15 -0.31 0.71 0.00 -1.08 -1.26 -4.96 116.67 105.62 2doc s ASP 16 Ca 0.50 0.06 -0.16 0.00 -0.52 0.00 0.00 52.55 52.43 2doc s ASP 16 Cb -0.02 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.76 2doc s ASP 16 CO 0.34 -0.48 1.09 1.33 0.52 0.00 0.00 175.17 177.98 2doc n VAL 17 N -0.04 3.34 -1.87 1.11 0.24 -1.26 -4.26 118.33 115.58 2doc n VAL 17 Ca -0.07 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.51 2doc n VAL 17 Cb 0.60 -1.22 0.04 0.00 -1.47 0.00 0.00 33.84 31.79 2doc n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2doc s PRO 18 N -3.42 2.93 0.70 7.34 0.04 -1.23 -4.73 135.00 136.64 2doc s PRO 18 Ca 0.76 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 2doc s PRO 18 Cb -0.35 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.26 2doc s PRO 18 CO 0.47 -1.16 1.06 -1.54 0.04 0.00 0.00 177.00 175.88 2doc s SER 19 N -2.40 5.18 0.36 6.66 1.04 -0.01 -3.77 113.70 120.77 2doc s SER 19 Ca 0.68 0.88 -0.28 0.00 0.48 0.00 0.00 55.95 57.71 2doc s SER 19 Cb -0.21 -1.63 -0.10 0.00 0.10 0.00 0.00 66.02 64.18 2doc s SER 19 CO 0.38 -1.44 1.37 -0.94 0.98 0.00 0.00 173.24 173.59 2doc s SER 20 N -4.42 6.52 1.20 7.02 1.04 -1.25 -4.60 113.70 119.20 2doc s SER 20 Ca 0.58 2.82 -0.16 0.00 0.48 0.00 0.00 55.95 59.67 2doc s SER 20 Cb -0.11 -2.65 0.24 0.00 0.10 0.00 0.00 66.02 63.60 2doc s SER 20 CO 0.49 -0.73 0.87 -0.81 0.98 0.00 0.00 173.24 174.04 2doc n PRO 21 N 0.54 -2.72 -3.97 4.02 -0.04 -1.26 -4.36 135.00 127.21 2doc n PRO 21 Ca 0.01 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.99 2doc n PRO 21 Cb 0.41 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2doc n PRO 21 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2doc s TYR 22 N -2.57 0.35 0.00 0.54 1.13 -1.22 -4.79 117.35 110.79 2doc s TYR 22 Ca 0.56 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 55.52 2doc s TYR 22 Cb -0.06 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 2doc s TYR 22 CO 0.43 -0.93 0.00 0.41 -2.51 0.00 0.00 175.55 172.95 2doc n GLY 23 N -0.35 3.02 2.41 5.49 0.00 -1.26 -1.32 105.19 113.19 2doc n GLY 23 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2doc n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2doc n VAL 24 N -1.96 0.00 -3.88 1.61 3.14 -1.26 -4.71 118.33 111.27 2doc n VAL 24 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 2doc n VAL 24 Cb 0.00 -0.36 -0.12 0.00 -1.06 0.00 0.00 33.84 32.30 2doc n VAL 24 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2doc s LYS 25 N 5.15 0.18 -0.41 1.45 0.00 0.55 -4.95 119.74 121.71 2doc s LYS 25 Ca 0.91 -0.13 -0.28 0.00 0.00 0.00 0.00 55.97 56.47 2doc s LYS 25 Cb -1.02 0.07 0.02 0.00 0.00 0.00 0.00 37.83 36.91 2doc s LYS 25 CO 0.43 -0.03 1.05 0.42 0.00 0.00 0.00 175.35 177.22 2doc s ILE 26 N -0.49 4.40 -0.16 3.79 -1.09 -1.26 -1.31 121.20 125.07 2doc s ILE 26 Ca -0.06 1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 59.56 2doc s ILE 26 Cb -0.04 -4.48 -0.23 0.00 -1.58 0.00 0.00 42.46 36.14 2doc s ILE 26 CO 0.00 -0.75 0.24 2.30 -1.23 0.00 0.00 174.94 175.51 2doc n ILE 27 N 6.35 1.68 -3.98 2.92 -5.35 -1.19 -4.79 119.36 114.99 2doc n ILE 27 Ca 0.10 -0.44 -0.31 0.00 -0.27 0.00 0.00 62.75 61.84 2doc n ILE 27 Cb 0.48 -1.82 -0.15 0.00 -1.74 0.00 0.00 39.64 36.41 2doc n ILE 27 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2doc s GLU 28 N -2.49 1.44 -0.16 6.28 2.02 -1.25 -5.05 118.70 119.49 2doc s GLU 28 Ca -0.26 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 52.99 2doc s GLU 28 Cb 0.07 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 2doc s GLU 28 CO 0.69 -0.91 -0.04 -1.17 0.02 0.00 0.00 175.26 173.85 2doc s LEU 29 N 1.03 3.23 0.00 1.80 2.96 -1.26 -0.12 118.68 126.32 2doc s LEU 29 Ca 0.09 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2doc s LEU 29 Cb -0.19 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2doc s LEU 29 CO -0.10 0.17 0.08 -0.24 -1.32 0.00 0.00 176.35 174.94 2doc n SER 30 N 3.55 2.24 0.09 3.68 2.88 0.17 -4.83 113.62 121.41 2doc n SER 30 Ca -0.17 -1.92 -0.14 0.00 -1.33 0.00 0.00 58.87 55.30 2doc n SER 30 Cb 0.52 0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 2doc n SER 30 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2doc h GLN 31 N 0.00 0.31 0.00 -1.46 -0.00 -1.92 -2.62 115.11 109.42 2doc h GLN 31 Ca -0.17 -0.42 -0.01 0.00 -0.00 0.00 0.00 58.65 58.05 2doc h GLN 31 Cb 0.57 0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 28.19 2doc h GLN 31 CO 0.28 1.14 -1.15 0.25 -0.00 0.00 0.00 178.83 179.35 2doc n THR 32 N -3.63 0.03 -4.31 1.86 -2.24 -1.26 -2.75 114.28 101.98 2doc n THR 32 Ca -0.07 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 2doc n THR 32 Cb 0.92 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 2doc n THR 32 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2doc s THR 33 N -2.20 3.28 -0.23 4.28 -4.23 -1.26 -2.48 115.64 112.81 2doc s THR 33 Ca -0.01 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 2doc s THR 33 Cb 0.02 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.25 2doc s THR 33 CO 0.13 -0.32 0.45 0.00 -0.54 0.00 0.00 174.62 174.34 2doc s ALA 34 N -2.21 -1.33 -0.21 3.99 0.00 -0.78 0.46 121.76 121.68 2doc s ALA 34 Ca 0.30 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.58 2doc s ALA 34 Cb -0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2doc s ALA 34 CO 0.18 -0.95 0.34 0.21 0.00 0.00 0.00 175.76 175.54 2doc s LYS 35 N 2.65 4.15 -0.20 0.00 2.20 0.83 -0.18 119.74 129.19 2doc s LYS 35 Ca 0.03 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2doc s LYS 35 Cb -0.13 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2doc s LYS 35 CO -0.15 -0.01 -0.07 0.54 -0.36 0.00 0.00 175.35 175.29 2doc s VAL 36 N 1.25 3.19 -0.22 4.02 0.11 -0.22 -3.14 120.40 125.39 2doc s VAL 36 Ca 0.16 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2doc s VAL 36 Cb -0.14 -2.43 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 2doc s VAL 36 CO 0.07 0.45 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.70 2doc s SER 37 N 1.30 4.37 0.47 3.54 0.15 -0.43 -2.28 113.70 120.82 2doc s SER 37 Ca 0.04 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2doc s SER 37 Cb -0.14 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 2doc s SER 37 CO -0.03 -0.01 0.09 0.72 1.20 0.00 0.00 173.24 175.21 2doc s PHE 38 N 1.40 1.77 0.26 3.44 -0.12 -0.80 -0.33 117.98 123.60 2doc s PHE 38 Ca 0.05 -1.21 0.09 0.00 -0.05 0.00 0.00 56.93 55.81 2doc s PHE 38 Cb -0.14 -1.32 -0.05 0.00 -0.63 0.00 0.00 43.02 40.87 2doc s PHE 38 CO -0.02 -0.13 -0.14 -0.80 -0.05 0.00 0.00 175.22 174.08 2doc s ASN 39 N -3.75 3.09 0.65 1.98 0.01 -0.43 -4.74 114.94 111.74 2doc s ASN 39 Ca 0.13 -1.08 -0.17 0.00 -0.71 0.00 0.00 52.86 51.03 2doc s ASN 39 Cb 0.01 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.42 2doc s ASN 39 CO 0.09 -0.14 1.01 0.29 -1.51 0.00 0.00 177.10 176.84 2doc n LYS 40 N -0.55 0.79 -2.25 -0.60 4.76 -1.26 -3.42 118.16 115.63 2doc n LYS 40 Ca -0.06 0.32 -0.38 0.00 -2.87 0.00 0.00 58.31 55.32 2doc n LYS 40 Cb 0.61 -2.24 -0.02 0.00 -1.84 0.00 0.00 35.03 31.55 2doc n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2doc s PRO 41 N -3.04 4.01 0.60 1.97 0.04 -1.26 -4.38 135.00 132.94 2doc s PRO 41 Ca 0.77 1.88 0.28 0.00 0.04 0.00 0.00 61.00 63.96 2doc s PRO 41 Cb -0.39 -2.66 1.33 0.00 0.04 0.00 0.00 34.50 32.82 2doc s PRO 41 CO 0.46 -0.37 1.74 0.22 0.04 0.00 0.00 177.00 179.09 2doc h ASP 42 N 2.58 0.00 -3.26 6.66 3.58 -1.87 -3.38 116.42 120.73 2doc h ASP 42 Ca -0.49 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.75 2doc h ASP 42 Cb 1.24 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.98 2doc h ASP 42 CO 0.62 0.00 -0.52 -0.55 -2.88 0.00 0.00 179.24 175.92 2doc s SER 43 N -4.65 -0.08 -0.09 2.28 0.15 -1.26 -5.02 113.70 105.02 2doc s SER 43 Ca -0.04 0.50 0.20 0.00 0.70 0.00 0.00 55.95 57.32 2doc s SER 43 Cb 0.14 0.42 -0.30 0.00 -1.71 0.00 0.00 66.02 64.58 2doc s SER 43 CO 0.49 -0.18 0.34 0.00 1.20 0.00 0.00 173.24 175.08 2doc n HIS 44 N 4.49 0.03 0.00 3.44 1.44 -1.26 -0.83 115.22 122.53 2doc n HIS 44 Ca -0.21 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 2doc n HIS 44 Cb 0.52 -0.70 0.00 0.00 0.12 0.00 0.00 29.99 29.93 2doc n HIS 44 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2doc n GLY 45 N 1.45 0.50 0.08 -1.39 0.00 -1.26 -3.47 105.19 101.10 2doc n GLY 45 Ca -0.15 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 2doc n GLY 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2doc h GLY 46 N 0.00 0.02 -4.56 -0.02 0.00 -1.92 -3.47 103.07 93.12 2doc h GLY 46 Ca 0.00 -0.06 -0.66 0.00 0.00 0.00 0.00 47.33 46.61 2doc h GLY 46 CO 0.00 0.05 -0.69 -1.34 0.00 0.00 0.00 176.54 174.56 2doc s VAL 47 N -2.60 3.74 0.39 4.60 -7.23 -1.26 -5.03 120.40 113.01 2doc s VAL 47 Ca -0.05 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 2doc s VAL 47 Cb 0.08 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 2doc s VAL 47 CO 0.82 0.23 1.19 -2.16 -0.31 0.00 0.00 175.10 174.87 2doc s PRO 48 N -1.93 4.08 0.27 4.82 0.04 -1.26 -4.91 135.00 136.11 2doc s PRO 48 Ca 0.21 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2doc s PRO 48 Cb -0.11 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.59 2doc s PRO 48 CO 0.13 -0.31 1.49 0.42 0.04 0.00 0.00 177.00 178.77 2doc s ILE 49 N -1.36 2.45 -0.16 0.56 1.01 -1.26 -4.58 121.20 117.85 2doc s ILE 49 Ca 0.56 0.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 2doc s ILE 49 Cb -0.32 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 2doc s ILE 49 CO 0.41 0.06 0.04 0.45 0.00 0.00 0.00 174.94 175.90 2doc h HIS 50 N 4.92 0.00 -3.89 3.97 3.86 -1.81 -3.48 115.15 118.72 2doc h HIS 50 Ca -0.46 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.48 2doc h HIS 50 Cb 1.22 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.63 2doc h HIS 50 CO 0.59 0.62 -0.14 -2.39 0.86 0.00 0.00 177.93 177.47 2doc n HIS 51 N -4.56 -1.37 -5.01 2.45 1.44 -1.06 -4.10 115.22 103.00 2doc n HIS 51 Ca -0.16 -2.19 -0.28 0.00 -2.01 0.00 0.00 57.72 53.08 2doc n HIS 51 Cb 0.41 0.51 -0.15 0.00 0.12 0.00 0.00 29.99 30.87 2doc n HIS 51 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2doc s TYR 52 N -3.07 2.00 -0.30 -1.40 2.02 -1.26 -1.99 117.35 113.35 2doc s TYR 52 Ca 0.27 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.52 2doc s TYR 52 Cb -0.01 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 2doc s TYR 52 CO 0.19 0.00 0.09 -1.14 -1.57 0.00 0.00 175.55 173.13 2doc s GLN 53 N -0.70 3.12 -0.14 -0.62 0.74 -0.44 -3.83 119.66 117.79 2doc s GLN 53 Ca 0.09 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.62 2doc s GLN 53 Cb -0.09 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2doc s GLN 53 CO -0.00 -0.44 -0.01 0.08 -0.55 0.00 0.00 175.29 174.36 2doc s VAL 54 N 1.52 4.13 -0.11 1.34 1.01 -1.18 -2.36 120.40 124.74 2doc s VAL 54 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2doc s VAL 54 Cb -0.17 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2doc s VAL 54 CO 0.03 0.52 -0.11 -0.62 0.00 0.00 0.00 175.10 174.92 2doc s ASP 55 N 0.00 2.30 0.07 3.32 2.15 -1.10 -0.65 116.67 122.77 2doc s ASP 55 Ca 0.02 -0.37 0.06 0.00 0.43 0.00 0.00 52.55 52.69 2doc s ASP 55 Cb -0.13 -0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 41.49 2doc s ASP 55 CO 0.02 -0.06 -0.17 0.54 -0.17 0.00 0.00 175.17 175.34 2doc s VAL 56 N 1.37 1.33 -0.11 1.11 0.11 -0.55 -2.11 120.40 121.54 2doc s VAL 56 Ca 0.00 -1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 57.48 2doc s VAL 56 Cb -0.13 -1.22 0.12 0.00 -1.53 0.00 0.00 36.38 33.61 2doc s VAL 56 CO -0.06 -0.07 0.95 -0.75 -3.33 0.00 0.00 175.10 171.84 2doc s LYS 57 N -1.56 0.68 0.29 1.54 2.20 -0.99 -1.54 119.74 120.36 2doc s LYS 57 Ca 0.02 0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 2doc s LYS 57 Cb -0.09 0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.44 2doc s LYS 57 CO 0.02 -0.24 1.42 -1.21 -0.36 0.00 0.00 175.35 174.98 2doc s GLU 58 N -1.62 4.26 0.58 4.03 2.02 -1.26 -0.75 118.70 125.97 2doc s GLU 58 Ca -0.01 2.32 0.25 0.00 0.02 0.00 0.00 54.97 57.56 2doc s GLU 58 Cb -0.01 -3.08 1.35 0.00 0.10 0.00 0.00 34.13 32.50 2doc s GLU 58 CO -0.00 -0.38 1.74 -0.24 0.02 0.00 0.00 175.26 176.39 2doc h VAL 59 N 3.33 0.00 0.02 2.63 3.04 -1.92 -0.20 116.25 123.15 2doc h VAL 59 Ca -0.47 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 64.83 2doc h VAL 59 Cb 1.22 0.55 -0.06 0.00 -2.01 0.00 0.00 31.29 30.99 2doc h VAL 59 CO 0.73 0.00 -2.39 0.00 -1.01 0.00 0.00 177.57 174.90 2doc n ALA 60 N -1.80 1.35 -0.51 3.17 0.00 -1.26 -4.99 120.51 116.47 2doc n ALA 60 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 2doc n ALA 60 Cb 0.38 -0.21 0.22 0.00 0.00 0.00 0.00 19.45 19.85 2doc n ALA 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2doc n SER 61 N -3.27 -2.55 0.00 0.00 2.88 -0.09 -4.98 113.62 105.61 2doc n SER 61 Ca -0.43 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 2doc n SER 61 Cb 1.01 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2doc n SER 61 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2doc n GLU 62 N -3.63 1.32 -3.23 -1.46 0.00 -1.26 -4.81 120.64 107.56 2doc n GLU 62 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.81 2doc n GLU 62 Cb 0.56 -0.90 -0.06 0.00 0.00 0.00 0.00 31.44 31.04 2doc n GLU 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2doc s ILE 63 N -1.63 4.99 -0.09 6.31 1.01 -1.26 -5.07 121.20 125.47 2doc s ILE 63 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.73 2doc s ILE 63 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2doc s ILE 63 CO 0.00 0.39 0.21 0.26 0.00 0.00 0.00 174.94 175.81 2doc s TRP 64 N 0.02 3.63 -0.24 3.97 0.52 -1.26 -4.73 118.94 120.85 2doc s TRP 64 Ca 0.30 0.65 -0.07 0.00 0.02 0.00 0.00 56.10 57.01 2doc s TRP 64 Cb -0.17 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2doc s TRP 64 CO 0.16 0.71 0.05 0.15 0.02 0.00 0.00 176.95 178.04 2doc s LYS 65 N -1.04 3.62 -0.10 4.98 1.02 -0.59 -4.96 119.74 122.67 2doc s LYS 65 Ca 0.17 -0.49 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 2doc s LYS 65 Cb -0.13 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2doc s LYS 65 CO 0.06 -0.18 0.27 0.42 -0.92 0.00 0.00 175.35 175.01 2doc s ILE 66 N 1.56 5.29 -0.20 2.17 -1.09 -1.26 -1.48 121.20 126.18 2doc s ILE 66 Ca 0.06 0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 58.96 2doc s ILE 66 Cb -0.15 -3.58 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 2doc s ILE 66 CO 0.03 0.51 0.07 -0.69 -1.23 0.00 0.00 174.94 173.63 2doc s VAL 67 N -0.42 0.22 0.30 2.92 1.01 0.18 -5.01 120.40 119.61 2doc s VAL 67 Ca 0.18 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2doc s VAL 67 Cb -0.14 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 2doc s VAL 67 CO 0.06 -0.32 0.67 -0.13 0.00 0.00 0.00 175.10 175.39 2doc s ARG 68 N 1.99 3.89 0.66 2.72 3.00 -1.26 -3.13 118.95 126.82 2doc s ARG 68 Ca 0.02 0.48 -0.03 0.00 0.00 0.00 0.00 55.73 56.20 2doc s ARG 68 Cb -0.17 -2.50 0.07 0.00 0.00 0.00 0.00 34.95 32.35 2doc s ARG 68 CO -0.12 0.18 0.94 -1.54 0.00 0.00 0.00 175.30 174.75 2doc s SER 69 N -2.48 4.82 -0.02 0.23 1.04 -1.25 -5.05 113.70 110.99 2doc s SER 69 Ca 0.51 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 2doc s SER 69 Cb -0.11 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 2doc s SER 69 CO 0.21 -1.53 0.44 -0.74 0.98 0.00 0.00 173.24 172.60 2doc h HIS 70 N -0.39 -0.23 -0.02 5.02 2.76 -1.96 -3.47 115.15 116.86 2doc h HIS 70 Ca -0.42 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2doc h HIS 70 Cb 1.30 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.33 2doc h HIS 70 CO 0.18 -0.14 0.00 0.41 -1.30 0.00 0.00 177.93 177.08 2doc n GLY 71 N 0.80 2.82 1.30 5.26 0.00 -1.26 -4.99 105.19 109.12 2doc n GLY 71 Ca -0.03 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.38 2doc n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2doc n VAL 72 N 0.00 1.10 -0.88 1.61 0.24 -1.26 -4.62 118.33 114.52 2doc n VAL 72 Ca 0.00 -0.94 -0.35 0.00 -2.04 0.00 0.00 64.34 61.01 2doc n VAL 72 Cb 0.00 0.35 0.08 0.00 -1.47 0.00 0.00 33.84 32.80 2doc n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doc n GLN 73 N 1.33 -0.35 -0.07 7.34 10.64 -1.26 -4.92 117.38 130.09 2doc n GLN 73 Ca 0.23 -0.09 0.02 0.00 -1.83 0.00 0.00 57.00 55.33 2doc n GLN 73 Cb 0.63 -1.37 0.06 0.00 -0.86 0.00 0.00 30.24 28.70 2doc n GLN 73 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2doc n THR 74 N -3.33 0.98 -4.40 -0.39 -2.24 -1.26 -4.79 114.28 98.85 2doc n THR 74 Ca 0.01 -0.99 -0.22 0.00 -2.27 0.00 0.00 64.05 60.59 2doc n THR 74 Cb 0.60 0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 69.18 2doc n THR 74 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2doc s MET 75 N -0.98 1.15 0.03 -0.78 -2.45 -1.26 -1.91 119.30 113.10 2doc s MET 75 Ca 0.09 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 2doc s MET 75 Cb 0.05 -1.04 -0.02 0.00 1.25 0.00 0.00 34.83 35.07 2doc s MET 75 CO 0.06 0.05 -0.06 0.08 1.05 0.00 0.00 175.02 176.20 2doc s VAL 76 N 0.49 0.43 -0.13 10.11 1.01 -0.96 -5.00 120.40 126.34 2doc s VAL 76 Ca -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2doc s VAL 76 Cb -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2doc s VAL 76 CO 0.01 -0.33 -0.06 0.54 0.00 0.00 0.00 175.10 175.27 2doc s VAL 77 N -1.19 3.75 0.16 2.92 0.11 -1.26 -1.06 120.40 123.83 2doc s VAL 77 Ca -0.09 -0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2doc s VAL 77 Cb -0.09 -2.61 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 2doc s VAL 77 CO 0.00 0.52 0.37 -0.76 -3.33 0.00 0.00 175.10 171.90 2doc s LEU 78 N 0.12 4.26 0.00 2.54 1.43 0.75 -4.91 118.68 122.86 2doc s LEU 78 Ca -0.02 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2doc s LEU 78 Cb -0.14 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2doc s LEU 78 CO 0.03 0.03 0.26 -0.46 0.23 0.00 0.00 176.35 176.43 2doc n ASN 79 N -0.18 -0.66 -3.61 2.29 0.23 -1.26 -1.87 115.26 110.19 2doc n ASN 79 Ca -0.03 -2.81 -0.23 0.00 -0.53 0.00 0.00 54.58 50.98 2doc n ASN 79 Cb 0.52 1.49 0.07 0.00 -2.08 0.00 0.00 39.78 39.79 2doc n ASN 79 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2doc n ASN 80 N -1.88 -5.17 -4.43 0.53 3.02 -1.25 -4.97 115.26 101.12 2doc n ASN 80 Ca 0.06 -0.60 -0.31 0.00 -0.03 0.00 0.00 54.58 53.70 2doc n ASN 80 Cb 0.50 -4.88 -0.13 0.00 -0.61 0.00 0.00 39.78 34.67 2doc n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2doc s LEU 81 N -7.11 2.50 0.18 3.41 1.43 -1.03 -5.10 118.68 112.95 2doc s LEU 81 Ca 0.46 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 2doc s LEU 81 Cb -0.21 -1.47 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 2doc s LEU 81 CO 0.75 0.27 0.75 -1.61 0.23 0.00 0.00 176.35 176.74 2doc s GLU 82 N -1.27 4.45 0.77 1.70 2.02 -1.26 -4.15 118.70 120.96 2doc s GLU 82 Ca 0.13 1.05 -0.11 0.00 0.02 0.00 0.00 54.97 56.07 2doc s GLU 82 Cb -0.10 -3.13 0.06 0.00 0.10 0.00 0.00 34.13 31.05 2doc s GLU 82 CO 0.04 0.52 1.09 -1.25 0.02 0.00 0.00 175.26 175.67 2doc s PRO 83 N -1.42 2.25 -1.41 0.39 0.04 -1.11 -3.58 135.00 130.18 2doc s PRO 83 Ca 0.38 1.17 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2doc s PRO 83 Cb -0.21 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.48 2doc s PRO 83 CO 0.24 -1.65 0.58 -1.71 0.04 0.00 0.00 177.00 174.50 2doc n ASN 84 N -3.51 -4.77 -4.19 6.66 2.85 -1.22 -4.93 115.26 106.15 2doc n ASN 84 Ca 0.09 -0.37 -0.16 0.00 -0.11 0.00 0.00 54.58 54.03 2doc n ASN 84 Cb 0.53 -3.89 -0.11 0.00 1.24 0.00 0.00 39.78 37.55 2doc n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2doc s THR 85 N -3.05 1.07 -0.10 -0.44 2.01 -1.23 -4.97 115.64 108.93 2doc s THR 85 Ca 0.38 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 2doc s THR 85 Cb -0.19 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2doc s THR 85 CO 0.47 -0.43 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.07 2doc s THR 86 N -2.03 4.25 -0.00 -0.82 2.01 -1.26 -1.14 115.64 116.64 2doc s THR 86 Ca 0.04 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.79 2doc s THR 86 Cb -0.05 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 2doc s THR 86 CO 0.01 0.58 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.17 2doc s TYR 87 N -0.63 0.40 -0.26 4.92 1.51 -0.26 -3.33 117.35 119.69 2doc s TYR 87 Ca 0.10 -0.08 -0.15 0.00 -1.01 0.00 0.00 57.07 55.94 2doc s TYR 87 Cb -0.12 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 2doc s TYR 87 CO 0.02 -0.01 0.36 -1.21 -1.11 0.00 0.00 175.55 173.60 2doc s GLU 88 N -0.10 4.04 0.13 -0.62 2.02 0.07 -2.06 118.70 122.19 2doc s GLU 88 Ca 0.02 0.03 0.10 0.00 0.02 0.00 0.00 54.97 55.13 2doc s GLU 88 Cb -0.02 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2doc s GLU 88 CO -0.00 -0.22 -0.21 -1.50 0.02 0.00 0.00 175.26 173.35 2doc s ILE 89 N 1.90 2.65 -0.07 -1.63 2.07 0.74 -2.34 121.20 124.52 2doc s ILE 89 Ca 0.15 -1.64 -0.05 0.00 -1.41 0.00 0.00 60.65 57.70 2doc s ILE 89 Cb -0.16 -2.22 0.03 0.00 0.13 0.00 0.00 42.46 40.25 2doc s ILE 89 CO 0.09 0.06 0.18 0.00 -1.91 0.00 0.00 174.94 173.36 2doc s ARG 90 N -2.21 0.16 -0.11 3.50 1.70 -0.90 0.12 118.95 121.21 2doc s ARG 90 Ca 0.17 0.35 -0.06 0.00 -0.47 0.00 0.00 55.73 55.72 2doc s ARG 90 Cb -0.10 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.18 2doc s ARG 90 CO 0.09 -0.11 0.15 0.08 -1.08 0.00 0.00 175.30 174.43 2doc s VAL 91 N 0.77 5.50 -0.00 4.99 1.01 -1.26 -2.71 120.40 128.70 2doc s VAL 91 Ca -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2doc s VAL 91 Cb -0.07 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2doc s VAL 91 CO -0.04 0.58 0.06 0.00 0.00 0.00 0.00 175.10 175.70 2doc s ALA 92 N -1.07 -0.12 -0.18 5.51 0.00 -0.99 -1.29 121.76 123.61 2doc s ALA 92 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2doc s ALA 92 Cb -0.12 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2doc s ALA 92 CO 0.06 -0.13 0.26 0.00 0.00 0.00 0.00 175.76 175.95 2doc s ALA 93 N -0.87 3.61 -0.12 0.00 0.00 -1.26 -1.33 121.76 121.79 2doc s ALA 93 Ca -0.10 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2doc s ALA 93 Cb -0.06 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2doc s ALA 93 CO 0.00 0.03 -0.20 0.08 0.00 0.00 0.00 175.76 175.67 2doc s VAL 94 N 0.60 1.85 0.30 0.00 1.01 -0.84 -1.51 120.40 121.81 2doc s VAL 94 Ca 0.14 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2doc s VAL 94 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2doc s VAL 94 CO 0.03 0.51 0.12 0.54 0.00 0.00 0.00 175.10 176.30 2doc s ASN 95 N 0.72 1.64 0.60 3.32 4.22 -0.43 -2.22 114.94 122.79 2doc s ASN 95 Ca -0.11 -1.48 0.30 0.00 -2.14 0.00 0.00 52.86 49.44 2doc s ASN 95 Cb -0.16 0.26 1.11 0.00 1.28 0.00 0.00 41.25 43.74 2doc s ASN 95 CO 0.01 -0.80 1.42 1.23 -2.04 0.00 0.00 177.10 176.93 2doc h GLY 96 N 2.22 0.00 0.46 0.45 0.00 -1.93 0.46 103.07 104.72 2doc h GLY 96 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2doc h GLY 96 CO 0.58 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 178.79 2doc h LYS 97 N 0.00 -0.09 0.00 4.80 1.63 -1.94 -3.50 116.57 117.47 2doc h LYS 97 Ca 0.52 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 2doc h LYS 97 Cb 2.82 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 34.47 2doc h LYS 97 CO -0.01 0.41 0.00 0.41 -3.45 0.00 0.00 179.45 176.82 2doc n GLY 98 N 0.36 -0.62 3.15 5.01 0.00 0.16 -4.91 105.19 108.34 2doc n GLY 98 Ca -0.09 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2doc n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2doc s GLN 99 N -1.39 2.18 0.52 1.61 0.74 -1.26 -1.31 119.66 120.74 2doc s GLN 99 Ca 0.00 -1.85 -0.08 0.00 0.05 0.00 0.00 55.36 53.48 2doc s GLN 99 Cb 0.00 -3.70 0.12 0.00 1.10 0.00 0.00 33.01 30.54 2doc s GLN 99 CO 0.00 -1.12 0.27 0.41 -0.55 0.00 0.00 175.29 174.31 2doc n GLY 100 N 4.62 -2.92 3.81 2.59 0.00 -0.57 -4.96 105.19 107.77 2doc n GLY 100 Ca -0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2doc n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2doc s ASP 101 N -2.11 5.27 0.41 1.61 1.11 -1.25 -4.75 116.67 116.97 2doc s ASP 101 Ca 0.21 1.67 -0.08 0.00 0.18 0.00 0.00 52.55 54.53 2doc s ASP 101 Cb -0.04 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2doc s ASP 101 CO 0.18 -1.52 0.74 -0.31 1.18 0.00 0.00 175.17 175.44 2doc s TYR 102 N -2.97 3.50 0.40 4.23 2.02 -1.26 -3.88 117.35 119.39 2doc s TYR 102 Ca 0.59 0.91 -0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2doc s TYR 102 Cb -0.15 -2.34 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 2doc s TYR 102 CO 0.54 -0.12 0.70 -1.54 -1.57 0.00 0.00 175.55 173.56 2doc s SER 103 N -3.47 6.39 -0.38 2.29 1.04 -0.42 -4.77 113.70 114.39 2doc s SER 103 Ca 0.49 0.89 -0.34 0.00 0.48 0.00 0.00 55.95 57.46 2doc s SER 103 Cb -0.10 -2.22 -0.15 0.00 0.10 0.00 0.00 66.02 63.65 2doc s SER 103 CO 0.35 -0.40 1.39 1.17 0.98 0.00 0.00 173.24 176.73 2doc n LYS 104 N -1.60 0.00 -1.64 4.02 4.81 -1.26 -4.56 118.16 117.92 2doc n LYS 104 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.88 2doc n LYS 104 Cb 0.55 -1.13 -0.07 0.00 0.02 0.00 0.00 35.03 34.39 2doc n LYS 104 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2doc n ILE 105 N 3.88 0.12 -3.91 3.15 2.08 -1.26 -4.88 119.36 118.54 2doc n ILE 105 Ca 0.32 -0.02 -0.33 0.00 0.56 0.00 0.00 62.75 63.27 2doc n ILE 105 Cb -0.04 -0.87 -0.05 0.00 -0.75 0.00 0.00 39.64 37.93 2doc n ILE 105 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2doc s GLU 106 N 1.88 3.44 -0.18 0.38 0.41 0.12 -4.96 118.70 119.79 2doc s GLU 106 Ca 0.92 -0.34 -0.00 0.00 -0.41 0.00 0.00 54.97 55.14 2doc s GLU 106 Cb -1.08 -3.09 0.05 0.00 -1.78 0.00 0.00 34.13 28.23 2doc s GLU 106 CO 0.58 0.67 -0.05 0.42 -0.49 0.00 0.00 175.26 176.39 2doc s ILE 107 N -1.35 1.20 0.01 -1.63 1.01 -1.26 -0.18 121.20 119.00 2doc s ILE 107 Ca 0.28 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.23 2doc s ILE 107 Cb -0.13 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2doc s ILE 107 CO 0.20 0.08 -0.18 0.72 0.00 0.00 0.00 174.94 175.76 2doc s PHE 108 N 1.58 1.59 -0.22 3.97 -0.12 -0.87 -4.98 117.98 118.92 2doc s PHE 108 Ca -0.01 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 2doc s PHE 108 Cb -0.16 -0.99 0.02 0.00 -0.63 0.00 0.00 43.02 41.26 2doc s PHE 108 CO -0.08 0.02 -0.11 -1.14 -0.05 0.00 0.00 175.22 173.86 2doc s GLN 109 N -0.75 2.97 1.10 1.99 0.74 -1.26 -1.10 119.66 123.35 2doc s GLN 109 Ca 0.06 -0.87 -0.20 0.00 0.05 0.00 0.00 55.36 54.40 2doc s GLN 109 Cb -0.07 -2.84 0.06 0.00 1.10 0.00 0.00 33.01 31.26 2doc s GLN 109 CO 0.00 -0.30 -0.24 0.25 -0.55 0.00 0.00 175.29 174.46 2doc n THR 110 N 4.67 0.00 -3.46 -0.34 -2.24 -0.29 -4.88 114.28 107.73 2doc n THR 110 Ca -0.18 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 2doc n THR 110 Cb 0.49 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 2doc n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2doc s LEU 111 N 0.37 4.41 -0.13 3.22 1.43 -0.99 -3.97 118.68 123.02 2doc s LEU 111 Ca 0.51 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.29 2doc s LEU 111 Cb -0.07 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2doc s LEU 111 CO 0.63 0.21 1.55 -2.16 0.23 0.00 0.00 176.35 176.81 2doc s PRO 112 N -1.57 4.07 0.15 1.29 0.04 -1.26 -3.43 135.00 134.29 2doc s PRO 112 Ca 0.31 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 2doc s PRO 112 Cb -0.16 -3.95 -0.16 0.00 0.04 0.00 0.00 34.50 30.27 2doc s PRO 112 CO 0.17 -0.95 0.55 0.28 0.04 0.00 0.00 177.00 177.08 2doc n VAL 113 N 5.74 1.54 -3.87 -0.36 0.31 -1.26 -4.92 118.33 115.51 2doc n VAL 113 Ca 0.17 -0.39 -0.35 0.00 -0.01 0.00 0.00 64.34 63.76 2doc n VAL 113 Cb 0.44 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.24 2doc n VAL 113 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2doc s SER 114 N -0.77 4.99 0.00 4.52 0.15 -1.26 -5.08 113.70 116.25 2doc s SER 114 Ca 0.62 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2doc s SER 114 Cb -0.89 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2doc s SER 114 CO 0.51 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2doc n GLY 115 N 4.63 5.37 3.60 9.45 0.00 -1.26 -5.09 105.19 121.89 2doc n GLY 115 Ca -0.11 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2doc n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doc s PRO 116 N -0.48 3.45 -1.08 1.61 0.04 -1.26 -4.93 135.00 132.34 2doc s PRO 116 Ca 0.00 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 2doc s PRO 116 Cb 0.00 -4.14 0.05 0.00 0.04 0.00 0.00 34.50 30.45 2doc s PRO 116 CO 0.00 -1.72 1.52 -1.12 0.04 0.00 0.00 177.00 175.72 2doc s SER 117 N 5.37 6.57 0.23 6.66 0.01 -1.26 -4.98 113.70 126.30 2doc s SER 117 Ca 0.75 -1.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2doc s SER 117 Cb -0.21 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 2doc s SER 117 CO 0.33 -1.44 0.96 -0.44 0.41 0.00 0.00 173.24 173.06 2doc s SER 118 N 4.83 7.60 0.00 2.44 0.01 -1.26 -5.34 113.70 121.97 2doc s SER 118 Ca 0.48 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.71 2doc s SER 118 Cb 0.01 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2doc s SER 118 CO -0.06 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.31