#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 4.11 -0.31 1.61 1.04 -1.26 -5.02 113.70 113.88 2doc s SER 2 Ca 0.00 0.99 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 2doc s SER 2 Cb 0.00 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.52 2doc s SER 2 CO 0.00 -2.17 0.51 -0.44 0.98 0.00 0.00 173.24 172.11 2doc s SER 3 N -4.19 6.36 0.00 7.02 0.01 -1.26 -4.97 113.70 116.68 2doc s SER 3 Ca 0.62 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2doc s SER 3 Cb -0.13 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2doc s SER 3 CO 0.52 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2doc n GLY 4 N 4.62 0.15 3.88 3.44 0.00 -1.26 -5.14 105.19 110.88 2doc n GLY 4 Ca -0.05 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2doc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doc s SER 5 N 0.00 6.32 0.05 1.61 0.01 -1.26 -5.01 113.70 115.42 2doc s SER 5 Ca 0.00 1.22 -0.32 0.00 1.31 0.00 0.00 55.95 58.16 2doc s SER 5 Cb 0.00 -2.38 -0.19 0.00 0.21 0.00 0.00 66.02 63.67 2doc s SER 5 CO 0.00 -0.68 1.48 0.28 0.41 0.00 0.00 173.24 174.73 2doc h SER 6 N 0.20 -0.84 0.00 2.44 0.02 -1.97 -3.47 113.55 109.93 2doc h SER 6 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2doc h SER 6 Cb 1.19 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2doc h SER 6 CO 0.62 -0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 2doc n GLY 7 N -1.27 1.92 0.12 -3.77 0.00 -1.26 -3.88 105.19 97.06 2doc n GLY 7 Ca -0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 2doc n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2doc h GLN 8 N 0.00 0.16 -1.10 1.61 4.20 -2.05 -3.35 115.11 114.58 2doc h GLN 8 Ca 0.00 -0.28 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 2doc h GLN 8 Cb 0.00 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.80 2doc h GLN 8 CO 0.00 1.13 0.19 0.39 -0.67 0.00 0.00 178.83 179.87 2doc n GLU 9 N -3.96 1.35 -0.03 1.46 4.71 -1.25 -4.09 120.64 118.82 2doc n GLU 9 Ca -0.29 -0.82 -0.16 0.00 -0.01 0.00 0.00 57.16 55.88 2doc n GLU 9 Cb 0.87 -1.32 -0.09 0.00 -1.01 0.00 0.00 31.44 29.89 2doc n GLU 9 CO 0.00 0.00 0.00 0.10 0.09 0.00 0.00 177.13 177.32 2doc h TYR 10 N 0.41 0.67 0.00 -0.32 -0.00 -1.81 -3.38 116.97 112.54 2doc h TYR 10 Ca 0.17 -0.29 0.00 0.00 -0.00 0.00 0.00 58.73 58.61 2doc h TYR 10 Cb 1.43 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 2doc h TYR 10 CO 0.45 1.06 -0.62 -0.89 -0.00 0.00 0.00 178.16 178.15 2doc n ILE 11 N -4.26 0.00 0.26 -0.90 2.08 -1.26 -4.66 119.36 110.62 2doc n ILE 11 Ca -0.08 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.34 2doc n ILE 11 Cb 0.58 -0.35 0.58 0.00 -0.75 0.00 0.00 39.64 39.70 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 0.00 1.39 3.38 -1.82 0.94 115.31 119.19 2doc h LEU 12 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2doc h LEU 12 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2doc h LEU 12 CO 0.00 0.00 -1.47 0.00 0.09 0.00 0.00 178.44 177.06 2doc n ALA 13 N -1.73 2.12 -0.64 1.53 0.00 -1.26 -4.06 120.51 116.48 2doc n ALA 13 Ca -0.01 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 52.96 2doc n ALA 13 Cb 0.39 -0.90 0.22 0.00 0.00 0.00 0.00 19.45 19.16 2doc n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2doc n LEU 14 N -2.76 3.57 -4.95 0.00 4.77 0.29 -5.01 117.00 112.90 2doc n LEU 14 Ca -0.09 -2.57 -0.29 0.00 -0.03 0.00 0.00 56.01 53.03 2doc n LEU 14 Cb 0.77 -0.42 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 2doc n LEU 14 CO 0.43 0.70 0.84 0.00 -1.33 0.00 0.00 177.39 178.03 2doc s ALA 15 N -2.03 2.41 -0.18 -1.18 0.00 0.80 -5.03 121.76 116.56 2doc s ALA 15 Ca 0.35 -1.42 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 2doc s ALA 15 Cb 0.25 -2.60 0.08 0.00 0.00 0.00 0.00 23.12 20.85 2doc s ALA 15 CO 0.13 -2.44 0.77 -0.51 0.00 0.00 0.00 175.76 173.70 2doc s ASP 16 N -4.94 -0.65 0.67 0.00 1.01 -1.22 -5.05 116.67 106.50 2doc s ASP 16 Ca 0.75 1.01 -0.17 0.00 0.71 0.00 0.00 52.55 54.85 2doc s ASP 16 Cb -0.02 0.94 -0.09 0.00 1.01 0.00 0.00 42.92 44.75 2doc s ASP 16 CO 0.52 -0.38 0.15 1.33 0.21 0.00 0.00 175.17 177.00 2doc n VAL 17 N 1.79 1.05 -2.15 -1.27 0.24 -1.26 -4.22 118.33 112.51 2doc n VAL 17 Ca -0.15 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.34 61.34 2doc n VAL 17 Cb 0.56 -0.40 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.03 3.24 0.70 7.34 0.04 -1.17 -4.66 135.00 138.46 2doc s PRO 18 Ca 0.60 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2doc s PRO 18 Cb -0.39 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.17 2doc s PRO 18 CO 0.63 -0.93 1.07 0.45 0.04 0.00 0.00 177.00 178.26 2doc s SER 19 N -1.95 5.44 0.41 6.66 0.15 -1.25 -3.97 113.70 119.19 2doc s SER 19 Ca 0.71 1.39 -0.26 0.00 0.70 0.00 0.00 55.95 58.49 2doc s SER 19 Cb -0.23 -2.26 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 2doc s SER 19 CO 0.30 -1.38 1.32 -0.94 1.20 0.00 0.00 173.24 173.75 2doc s SER 20 N -4.05 6.28 0.80 5.45 1.04 -1.25 -4.59 113.70 117.38 2doc s SER 20 Ca 0.58 2.70 -0.11 0.00 0.48 0.00 0.00 55.95 59.60 2doc s SER 20 Cb -0.13 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.42 2doc s SER 20 CO 0.54 -0.87 1.09 -2.16 0.98 0.00 0.00 173.24 172.82 2doc s PRO 21 N -2.24 2.07 0.17 4.02 0.04 -1.26 -4.59 135.00 133.21 2doc s PRO 21 Ca 0.57 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2doc s PRO 21 Cb -0.39 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2doc s PRO 21 CO 0.50 -1.76 0.04 1.52 0.04 0.00 0.00 177.00 177.34 2doc s TYR 22 N -2.91 1.14 -0.46 0.56 -0.85 -1.20 -4.72 117.35 108.91 2doc s TYR 22 Ca 0.62 -1.13 -0.03 0.00 -0.52 0.00 0.00 57.07 56.01 2doc s TYR 22 Cb -0.17 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.52 2doc s TYR 22 CO 0.56 -0.35 0.37 0.41 -1.52 0.00 0.00 175.55 175.02 2doc n GLY 23 N -0.23 0.44 3.84 5.49 0.00 -1.26 -1.72 105.19 111.76 2doc n GLY 23 Ca -0.05 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2doc n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2doc s VAL 24 N -3.07 4.80 -0.19 1.61 1.01 -1.26 -3.95 120.40 119.36 2doc s VAL 24 Ca 0.18 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.72 2doc s VAL 24 Cb -0.08 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.72 2doc s VAL 24 CO 0.23 0.15 1.13 -1.59 0.00 0.00 0.00 175.10 175.02 2doc s LYS 25 N -2.19 0.41 -1.08 2.72 0.00 0.31 -4.98 119.74 114.93 2doc s LYS 25 Ca 0.42 0.03 -0.15 0.00 0.00 0.00 0.00 55.97 56.27 2doc s LYS 25 Cb -0.14 0.19 0.17 0.00 0.00 0.00 0.00 37.83 38.05 2doc s LYS 25 CO 0.20 -0.14 1.26 0.42 0.00 0.00 0.00 175.35 177.09 2doc s ILE 26 N -1.43 5.05 0.07 3.79 -1.09 -1.26 -1.49 121.20 124.85 2doc s ILE 26 Ca 0.04 -2.34 -0.23 0.00 -2.23 0.00 0.00 60.65 55.88 2doc s ILE 26 Cb -0.01 -4.81 -0.15 0.00 -1.58 0.00 0.00 42.46 35.91 2doc s ILE 26 CO -0.03 -1.51 1.66 0.16 -1.23 0.00 0.00 174.94 173.99 2doc h ILE 27 N 4.97 1.07 -3.57 2.92 3.07 -1.92 -3.38 117.51 120.67 2doc h ILE 27 Ca 0.24 -0.20 -0.69 0.00 1.55 0.00 0.00 64.86 65.75 2doc h ILE 27 Cb 0.93 1.19 -0.33 0.00 -0.27 0.00 0.00 36.82 38.34 2doc h ILE 27 CO 1.15 0.05 -0.58 -1.61 -1.05 0.00 0.00 178.15 176.11 2doc s GLU 28 N -5.85 2.23 -0.04 0.16 2.02 -1.26 -5.05 118.70 110.91 2doc s GLU 28 Ca -0.13 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 53.30 2doc s GLU 28 Cb 0.05 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2doc s GLU 28 CO 0.66 -0.91 -0.11 -1.17 0.02 0.00 0.00 175.26 173.76 2doc s LEU 29 N 1.22 2.96 0.00 1.80 2.96 -1.26 0.21 118.68 126.57 2doc s LEU 29 Ca 0.03 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2doc s LEU 29 Cb -0.22 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 2doc s LEU 29 CO -0.02 0.33 0.04 -0.24 -1.32 0.00 0.00 176.35 175.14 2doc n SER 30 N 2.06 1.79 0.09 3.68 2.88 0.99 -4.90 113.62 120.21 2doc n SER 30 Ca -0.17 -1.99 -0.11 0.00 -1.33 0.00 0.00 58.87 55.26 2doc n SER 30 Cb 0.52 0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.18 0.00 -1.46 -0.00 -1.92 -0.49 115.11 111.42 2doc h GLN 31 Ca -0.17 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.65 58.21 2doc h GLN 31 Cb 0.56 0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 28.13 2doc h GLN 31 CO 0.27 1.07 -1.05 0.25 -0.00 0.00 0.00 178.83 179.37 2doc n THR 32 N -3.54 0.04 -4.16 1.86 -2.24 -1.26 -3.29 114.28 101.70 2doc n THR 32 Ca -0.05 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 2doc n THR 32 Cb 0.93 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.03 4.13 -0.17 4.28 -4.23 -1.26 -2.98 115.64 113.38 2doc s THR 33 Ca -0.00 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2doc s THR 33 Cb 0.00 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.72 2doc s THR 33 CO 0.04 -0.30 0.37 0.00 -0.54 0.00 0.00 174.62 174.19 2doc s ALA 34 N -2.08 -0.95 -0.06 3.99 0.00 -0.89 -0.00 121.76 121.75 2doc s ALA 34 Ca 0.32 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 2doc s ALA 34 Cb -0.08 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 2doc s ALA 34 CO 0.23 -0.58 0.53 0.21 0.00 0.00 0.00 175.76 176.15 2doc s LYS 35 N 2.19 4.30 -0.30 0.00 2.20 0.13 -0.26 119.74 128.00 2doc s LYS 35 Ca -0.03 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2doc s LYS 35 Cb -0.11 -3.39 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2doc s LYS 35 CO -0.11 0.27 0.00 0.54 -0.36 0.00 0.00 175.35 175.69 2doc s VAL 36 N 0.21 3.06 -0.12 4.02 0.11 0.55 -3.87 120.40 124.35 2doc s VAL 36 Ca 0.29 -1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 57.97 2doc s VAL 36 Cb -0.17 -2.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 2doc s VAL 36 CO 0.14 -0.09 -0.03 -0.55 -3.33 0.00 0.00 175.10 171.23 2doc s SER 37 N 1.27 4.92 0.29 3.54 0.15 -0.55 -2.81 113.70 120.51 2doc s SER 37 Ca -0.05 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.59 2doc s SER 37 Cb -0.20 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 2doc s SER 37 CO -0.01 0.26 0.34 2.22 1.20 0.00 0.00 173.24 177.26 2doc n PHE 38 N 2.91 -1.05 -5.01 3.44 -1.74 -0.87 -0.53 117.46 114.61 2doc n PHE 38 Ca -0.18 -2.12 -0.28 0.00 -0.56 0.00 0.00 57.45 54.31 2doc n PHE 38 Cb 0.53 0.38 -0.16 0.00 1.52 0.00 0.00 39.48 41.75 2doc n PHE 38 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2doc s ASN 39 N -2.87 2.47 0.66 5.98 0.01 -0.70 -4.79 114.94 115.70 2doc s ASN 39 Ca 0.28 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.87 2doc s ASN 39 Cb 0.00 -0.46 -0.14 0.00 0.41 0.00 0.00 41.25 41.06 2doc s ASN 39 CO 0.20 0.23 -0.37 0.29 -1.51 0.00 0.00 177.10 175.93 2doc n LYS 40 N 2.79 0.00 -2.25 -0.60 5.02 -1.26 -3.23 118.16 118.63 2doc n LYS 40 Ca -0.16 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.73 2doc n LYS 40 Cb 0.53 -0.95 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 2doc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2doc s PRO 41 N -1.33 4.26 0.55 1.97 0.04 -1.26 -4.47 135.00 134.77 2doc s PRO 41 Ca 0.48 1.98 0.48 0.00 0.04 0.00 0.00 61.00 63.98 2doc s PRO 41 Cb -0.36 -2.91 1.71 0.00 0.04 0.00 0.00 34.50 32.98 2doc s PRO 41 CO 0.69 -0.18 1.60 0.22 0.04 0.00 0.00 177.00 179.37 2doc h ASP 42 N 3.12 0.01 -5.30 6.66 3.58 -1.87 -3.40 116.42 119.22 2doc h ASP 42 Ca -0.48 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 56.84 2doc h ASP 42 Cb 1.23 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 42.15 2doc h ASP 42 CO 0.64 -0.02 -0.51 -0.44 -2.88 0.00 0.00 179.24 176.03 2doc s SER 43 N -4.04 0.24 -0.22 2.28 0.01 -1.26 -5.07 113.70 105.63 2doc s SER 43 Ca -0.05 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.28 2doc s SER 43 Cb 0.27 0.32 -0.17 0.00 0.21 0.00 0.00 66.02 66.66 2doc s SER 43 CO 0.88 -0.75 -0.14 0.00 0.41 0.00 0.00 173.24 173.64 2doc n HIS 44 N -0.08 0.00 0.00 2.43 1.44 -1.26 -3.86 115.22 113.89 2doc n HIS 44 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2doc n HIS 44 Cb 0.63 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.85 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 2.29 0.60 5.00 -1.39 0.00 -1.26 -3.03 105.19 107.40 2doc n GLY 45 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2doc n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2doc n GLY 46 N 0.00 1.23 3.89 -0.02 0.00 -1.26 -3.40 105.19 105.63 2doc n GLY 46 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2doc n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2doc s VAL 47 N 0.00 5.09 0.40 1.61 -7.23 -1.26 -5.07 120.40 113.94 2doc s VAL 47 Ca 0.00 0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 60.10 2doc s VAL 47 Cb 0.00 -3.62 -0.08 0.00 0.56 0.00 0.00 36.38 33.23 2doc s VAL 47 CO 0.00 0.02 1.19 -2.16 -0.31 0.00 0.00 175.10 173.83 2doc s PRO 48 N -2.67 4.02 0.40 4.82 0.04 -1.26 -4.79 135.00 135.55 2doc s PRO 48 Ca 0.43 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2doc s PRO 48 Cb -0.12 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 2doc s PRO 48 CO 0.23 -0.36 1.16 0.42 0.04 0.00 0.00 177.00 178.49 2doc s ILE 49 N -1.40 3.21 -0.24 0.56 1.01 -1.26 -4.29 121.20 118.79 2doc s ILE 49 Ca 0.57 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 62.06 2doc s ILE 49 Cb -0.32 -3.56 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 2doc s ILE 49 CO 0.40 0.08 -0.04 1.41 0.00 0.00 0.00 174.94 176.79 2doc n HIS 50 N 0.05 0.57 -3.59 3.97 8.25 -0.67 -4.99 115.22 118.81 2doc n HIS 50 Ca 0.04 0.23 -0.05 0.00 -0.26 0.00 0.00 57.72 57.69 2doc n HIS 50 Cb 0.47 -1.06 0.02 0.00 1.12 0.00 0.00 29.99 30.54 2doc n HIS 50 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2doc n HIS 51 N -4.29 -1.75 -4.83 4.41 1.44 -1.19 -4.44 115.22 104.57 2doc n HIS 51 Ca -0.42 -1.18 -0.30 0.00 -2.01 0.00 0.00 57.72 53.81 2doc n HIS 51 Cb 0.79 0.59 -0.14 0.00 0.12 0.00 0.00 29.99 31.35 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 -4.08 2.32 -0.26 -1.40 1.51 -1.26 -2.29 117.35 111.90 2doc s TYR 52 Ca 0.12 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2doc s TYR 52 Cb -0.03 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 2doc s TYR 52 CO 0.07 0.16 0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 2doc s GLN 53 N -1.36 3.22 -0.21 -0.62 0.74 -1.01 -3.96 119.66 116.47 2doc s GLN 53 Ca 0.12 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 54.75 2doc s GLN 53 Cb -0.10 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 2doc s GLN 53 CO 0.03 -0.32 -0.04 0.08 -0.55 0.00 0.00 175.29 174.49 2doc s VAL 54 N 1.48 3.49 -0.12 1.34 1.01 -1.17 -2.68 120.40 123.75 2doc s VAL 54 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2doc s VAL 54 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2doc s VAL 54 CO -0.01 0.43 -0.22 -1.81 0.00 0.00 0.00 175.10 173.50 2doc s ASP 55 N 1.23 3.21 0.04 3.32 1.01 -1.16 -0.35 116.67 123.98 2doc s ASP 55 Ca 0.03 -0.55 0.04 0.00 0.71 0.00 0.00 52.55 52.78 2doc s ASP 55 Cb -0.14 -1.45 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 2doc s ASP 55 CO -0.01 0.13 -0.12 0.54 0.21 0.00 0.00 175.17 175.91 2doc s VAL 56 N 0.55 0.95 -0.14 -1.27 0.11 -0.21 -1.94 120.40 118.44 2doc s VAL 56 Ca -0.13 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.59 2doc s VAL 56 Cb -0.17 -0.90 0.11 0.00 -1.53 0.00 0.00 36.38 33.90 2doc s VAL 56 CO 0.04 -0.12 0.92 -0.75 -3.33 0.00 0.00 175.10 171.86 2doc s LYS 57 N -1.30 0.71 0.41 1.54 2.20 -0.92 -1.59 119.74 120.78 2doc s LYS 57 Ca -0.02 0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.53 2doc s LYS 57 Cb -0.08 0.33 -0.09 0.00 -1.51 0.00 0.00 37.83 36.48 2doc s LYS 57 CO 0.01 -0.21 1.43 -1.21 -0.36 0.00 0.00 175.35 175.01 2doc s GLU 58 N -1.05 3.92 0.16 4.03 2.02 -1.26 -0.52 118.70 126.00 2doc s GLU 58 Ca -0.04 2.45 0.10 0.00 0.02 0.00 0.00 54.97 57.49 2doc s GLU 58 Cb -0.01 -2.81 0.52 0.00 0.10 0.00 0.00 34.13 31.93 2doc s GLU 58 CO 0.03 -0.64 1.25 1.55 0.02 0.00 0.00 175.26 177.47 2doc n VAL 59 N 0.15 1.32 -0.11 2.63 3.14 -1.20 -1.63 118.33 122.63 2doc n VAL 59 Ca 0.03 0.62 -0.15 0.00 -2.96 0.00 0.00 64.34 61.88 2doc n VAL 59 Cb 0.41 -1.62 -0.10 0.00 -1.06 0.00 0.00 33.84 31.47 2doc n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2doc n ALA 60 N -1.58 1.55 -0.59 1.55 0.00 -1.26 -5.02 120.51 115.16 2doc n ALA 60 Ca -0.01 -0.89 -0.28 0.00 0.00 0.00 0.00 53.44 52.26 2doc n ALA 60 Cb 0.09 0.03 0.18 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.15 -2.66 0.00 0.00 2.88 -0.65 -4.98 113.62 105.06 2doc n SER 61 Ca -0.37 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2doc n SER 61 Cb 0.89 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2doc n SER 61 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doc n GLU 62 N -2.33 1.25 -3.44 -1.46 -0.58 -1.26 -4.85 120.64 107.97 2doc n GLU 62 Ca 0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.39 2doc n GLU 62 Cb 0.55 -0.91 -0.06 0.00 -0.57 0.00 0.00 31.44 30.45 2doc n GLU 62 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2doc s ILE 63 N -1.66 5.01 -0.18 -3.67 -1.09 -1.26 -5.08 121.20 113.28 2doc s ILE 63 Ca 0.00 0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 59.24 2doc s ILE 63 Cb 0.00 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 2doc s ILE 63 CO 0.00 0.54 0.13 0.26 -1.23 0.00 0.00 174.94 174.64 2doc s TRP 64 N -0.81 3.46 -0.31 3.97 0.52 -1.26 -4.75 118.94 119.76 2doc s TRP 64 Ca 0.25 0.38 -0.11 0.00 0.02 0.00 0.00 56.10 56.64 2doc s TRP 64 Cb -0.17 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 2doc s TRP 64 CO 0.14 0.42 0.20 0.15 0.02 0.00 0.00 176.95 177.87 2doc s LYS 65 N -0.05 3.65 0.14 4.98 1.02 -0.62 -4.95 119.74 123.92 2doc s LYS 65 Ca 0.10 -0.52 -0.08 0.00 0.02 0.00 0.00 55.97 55.48 2doc s LYS 65 Cb -0.11 -3.68 -0.06 0.00 -0.52 0.00 0.00 37.83 33.46 2doc s LYS 65 CO -0.00 -0.32 0.44 0.42 -0.92 0.00 0.00 175.35 174.96 2doc s ILE 66 N 1.71 5.06 -0.15 2.17 -1.09 -1.26 -1.04 121.20 126.60 2doc s ILE 66 Ca 0.06 0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 58.79 2doc s ILE 66 Cb -0.17 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 2doc s ILE 66 CO 0.10 0.12 0.12 -0.69 -1.23 0.00 0.00 174.94 173.35 2doc s VAL 67 N -1.59 -0.16 0.07 2.92 1.01 0.53 -4.99 120.40 118.20 2doc s VAL 67 Ca 0.39 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 2doc s VAL 67 Cb -0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 2doc s VAL 67 CO 0.21 -0.15 0.67 -0.13 0.00 0.00 0.00 175.10 175.70 2doc s ARG 68 N 2.20 4.38 0.78 2.72 3.00 -1.26 -3.03 118.95 127.74 2doc s ARG 68 Ca 0.04 0.91 -0.10 0.00 0.00 0.00 0.00 55.73 56.57 2doc s ARG 68 Cb -0.15 -3.29 0.08 0.00 0.00 0.00 0.00 34.95 31.59 2doc s ARG 68 CO -0.08 0.49 1.13 -1.54 0.00 0.00 0.00 175.30 175.29 2doc s SER 69 N -0.70 4.51 -0.06 0.23 1.04 -1.25 -5.03 113.70 112.43 2doc s SER 69 Ca 0.33 0.61 -0.14 0.00 0.48 0.00 0.00 55.95 57.24 2doc s SER 69 Cb -0.20 -1.12 -0.09 0.00 0.10 0.00 0.00 66.02 64.70 2doc s SER 69 CO 0.21 -1.86 0.54 -0.74 0.98 0.00 0.00 173.24 172.37 2doc h HIS 70 N -0.93 -0.25 -0.99 5.02 2.76 -1.95 -3.48 115.15 115.33 2doc h HIS 70 Ca -0.45 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2doc h HIS 70 Cb 1.32 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.36 2doc h HIS 70 CO 0.21 0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.25 2doc n GLY 71 N 0.90 5.03 1.80 5.26 0.00 -1.26 -5.00 105.19 111.92 2doc n GLY 71 Ca -0.05 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 2.52 -2.51 1.61 0.24 -1.26 -4.60 118.33 114.33 2doc n VAL 72 Ca 0.00 -1.40 -0.31 0.00 -2.04 0.00 0.00 64.34 60.59 2doc n VAL 72 Cb 0.00 -0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 31.36 2doc n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doc s GLN 73 N -1.94 3.81 -0.21 7.34 -2.07 -1.26 -4.99 119.66 120.34 2doc s GLN 73 Ca 0.33 0.69 0.15 0.00 -1.82 0.00 0.00 55.36 54.72 2doc s GLN 73 Cb 0.27 -2.24 0.61 0.00 -1.09 0.00 0.00 33.01 30.57 2doc s GLN 73 CO 0.03 -0.22 1.53 0.25 -1.32 0.00 0.00 175.29 175.56 2doc n THR 74 N -1.69 2.47 -4.35 3.63 -2.24 -1.26 -4.77 114.28 106.06 2doc n THR 74 Ca 0.05 -1.81 -0.21 0.00 -2.27 0.00 0.00 64.05 59.81 2doc n THR 74 Cb 0.54 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.86 1.14 0.02 -0.78 -2.45 -1.26 -2.06 119.30 111.06 2doc s MET 75 Ca 0.46 -0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.48 2doc s MET 75 Cb 0.37 -1.03 0.03 0.00 1.25 0.00 0.00 34.83 35.45 2doc s MET 75 CO 0.10 -0.01 0.39 0.08 1.05 0.00 0.00 175.02 176.64 2doc s VAL 76 N 0.68 0.05 -0.15 10.11 1.01 -1.12 -4.99 120.40 125.99 2doc s VAL 76 Ca -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2doc s VAL 76 Cb -0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2doc s VAL 76 CO 0.02 -0.25 -0.10 0.54 0.00 0.00 0.00 175.10 175.30 2doc s VAL 77 N -2.05 3.22 0.22 2.92 0.11 -1.26 -0.33 120.40 123.24 2doc s VAL 77 Ca -0.08 -0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 2doc s VAL 77 Cb -0.02 -2.38 -0.07 0.00 -1.53 0.00 0.00 36.38 32.38 2doc s VAL 77 CO 0.01 0.51 0.55 -0.76 -3.33 0.00 0.00 175.10 172.07 2doc s LEU 78 N 0.52 4.18 0.39 2.54 1.43 0.63 -4.89 118.68 123.49 2doc s LEU 78 Ca -0.07 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.00 2doc s LEU 78 Cb -0.15 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 2doc s LEU 78 CO 0.04 -0.06 0.16 0.20 0.23 0.00 0.00 176.35 176.92 2doc s ASN 79 N -2.32 2.50 -0.96 2.29 0.01 -1.26 -2.10 114.94 113.09 2doc s ASN 79 Ca 0.47 -1.69 -0.01 0.00 -0.71 0.00 0.00 52.86 50.91 2doc s ASN 79 Cb -0.11 0.53 -0.02 0.00 0.41 0.00 0.00 41.25 42.06 2doc s ASN 79 CO 0.21 -0.97 0.81 0.59 -1.51 0.00 0.00 177.10 176.23 2doc n ASN 80 N -1.35 -3.13 -4.14 -1.22 4.13 -1.26 -5.00 115.26 103.28 2doc n ASN 80 Ca -0.03 -0.54 -0.23 0.00 1.68 0.00 0.00 54.58 55.47 2doc n ASN 80 Cb 0.64 -4.36 -0.15 0.00 -1.54 0.00 0.00 39.78 34.38 2doc n ASN 80 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2doc s LEU 81 N -5.43 2.08 0.30 3.41 1.43 -1.16 -5.11 118.68 114.21 2doc s LEU 81 Ca 0.11 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.60 2doc s LEU 81 Cb -0.01 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.35 2doc s LEU 81 CO 0.61 0.14 0.92 -1.61 0.23 0.00 0.00 176.35 176.64 2doc s GLU 82 N -0.65 4.57 0.60 1.70 2.02 -1.26 -4.36 118.70 121.32 2doc s GLU 82 Ca 0.05 1.29 -0.17 0.00 0.02 0.00 0.00 54.97 56.16 2doc s GLU 82 Cb -0.07 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 2doc s GLU 82 CO 0.00 0.31 1.12 -1.25 0.02 0.00 0.00 175.26 175.46 2doc s PRO 83 N -1.97 3.08 -1.48 0.39 0.04 -1.21 -3.50 135.00 130.36 2doc s PRO 83 Ca 0.49 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 2doc s PRO 83 Cb -0.19 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.43 2doc s PRO 83 CO 0.24 -1.04 1.00 -1.71 0.04 0.00 0.00 177.00 175.53 2doc n ASN 84 N -1.85 -5.28 -4.24 6.66 2.85 -1.21 -4.91 115.26 107.28 2doc n ASN 84 Ca 0.11 -0.68 -0.17 0.00 -0.11 0.00 0.00 54.58 53.74 2doc n ASN 84 Cb 0.51 -4.20 -0.11 0.00 1.24 0.00 0.00 39.78 37.23 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 -3.28 1.29 -0.10 -0.44 2.01 -1.23 -4.96 115.64 108.93 2doc s THR 85 Ca 0.62 -1.81 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 2doc s THR 85 Cb -0.30 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2doc s THR 85 CO 0.77 -0.51 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.27 2doc s THR 86 N -2.47 4.08 0.01 -0.82 2.01 -1.26 -0.87 115.64 116.33 2doc s THR 86 Ca 0.11 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2doc s THR 86 Cb -0.03 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2doc s THR 86 CO 0.02 0.57 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.15 2doc s TYR 87 N -0.55 0.63 -0.27 4.92 1.51 -0.49 -3.27 117.35 119.84 2doc s TYR 87 Ca 0.09 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 2doc s TYR 87 Cb -0.12 -0.39 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 2doc s TYR 87 CO 0.02 -0.03 0.23 -1.21 -1.11 0.00 0.00 175.55 173.45 2doc s GLU 88 N -0.71 4.00 0.07 -0.62 2.02 0.32 -1.87 118.70 121.91 2doc s GLU 88 Ca -0.02 -0.21 0.09 0.00 0.02 0.00 0.00 54.97 54.86 2doc s GLU 88 Cb -0.05 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2doc s GLU 88 CO 0.00 -0.14 -0.25 -1.50 0.02 0.00 0.00 175.26 173.39 2doc s ILE 89 N 1.66 2.29 -0.02 -1.63 2.07 0.14 -2.17 121.20 123.54 2doc s ILE 89 Ca 0.09 -1.46 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 2doc s ILE 89 Cb -0.15 -1.94 0.01 0.00 0.13 0.00 0.00 42.46 40.51 2doc s ILE 89 CO 0.09 0.29 -0.02 0.00 -1.91 0.00 0.00 174.94 173.39 2doc s ARG 90 N -1.50 0.36 -0.14 3.50 1.70 -0.82 0.01 118.95 122.06 2doc s ARG 90 Ca 0.13 -0.04 -0.06 0.00 -0.47 0.00 0.00 55.73 55.29 2doc s ARG 90 Cb -0.10 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 2doc s ARG 90 CO 0.04 -0.03 0.09 0.08 -1.08 0.00 0.00 175.30 174.40 2doc s VAL 91 N 0.51 5.10 0.05 4.99 1.01 -1.26 -2.97 120.40 127.83 2doc s VAL 91 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2doc s VAL 91 Cb -0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2doc s VAL 91 CO -0.01 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 2doc s ALA 92 N -0.51 0.53 -0.14 5.51 0.00 -1.09 -0.50 121.76 125.56 2doc s ALA 92 Ca 0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2doc s ALA 92 Cb -0.12 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2doc s ALA 92 CO 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 175.76 175.38 2doc s ALA 93 N -3.65 2.91 -0.07 0.00 0.00 -1.26 -2.41 121.76 117.27 2doc s ALA 93 Ca 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2doc s ALA 93 Cb 0.06 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 2doc s ALA 93 CO -0.09 0.27 -0.23 0.08 0.00 0.00 0.00 175.76 175.80 2doc s VAL 94 N 0.20 2.23 0.33 0.00 1.01 -0.97 -2.62 120.40 120.58 2doc s VAL 94 Ca -0.04 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2doc s VAL 94 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2doc s VAL 94 CO 0.03 0.57 0.28 0.54 0.00 0.00 0.00 175.10 176.52 2doc s ASN 95 N -0.09 1.58 0.51 3.32 2.20 -0.20 -1.67 114.94 120.59 2doc s ASN 95 Ca -0.05 -1.73 0.42 0.00 -0.94 0.00 0.00 52.86 50.56 2doc s ASN 95 Cb -0.14 0.56 1.63 0.00 -2.00 0.00 0.00 41.25 41.29 2doc s ASN 95 CO 0.04 -1.07 1.59 1.23 -2.94 0.00 0.00 177.10 175.96 2doc h GLY 96 N 2.15 0.57 0.28 0.45 0.00 -1.91 0.21 103.07 104.82 2doc h GLY 96 Ca -0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2doc h GLY 96 CO 0.37 -0.19 -0.07 0.50 0.00 0.00 0.00 176.54 177.15 2doc h LYS 97 N 0.01 -0.19 0.00 4.80 1.79 -1.94 -3.51 116.57 117.53 2doc h LYS 97 Ca 0.90 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.38 2doc h LYS 97 Cb 3.30 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 34.00 2doc h LYS 97 CO -0.20 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 178.81 2doc n GLY 98 N 0.85 -0.52 3.34 3.86 0.00 0.73 -5.00 105.19 108.45 2doc n GLY 98 Ca -0.07 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.81 2.79 0.00 1.61 0.74 -1.26 -1.03 119.66 120.70 2doc s GLN 99 Ca 0.00 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.33 2doc s GLN 99 Cb 0.00 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.53 2doc s GLN 99 CO 0.00 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 2doc n GLY 100 N 4.91 -2.62 3.77 2.59 0.00 -1.08 -4.94 105.19 107.81 2doc n GLY 100 Ca -0.12 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.73 6.82 0.36 1.61 1.01 -1.26 -4.85 116.67 118.64 2doc s ASP 101 Ca 0.00 2.31 -0.26 0.00 0.71 0.00 0.00 52.55 55.31 2doc s ASP 101 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 2doc s ASP 101 CO 0.00 -0.47 1.06 -0.31 0.21 0.00 0.00 175.17 175.66 2doc s TYR 102 N -1.35 3.37 1.00 4.23 2.02 -1.26 -3.78 117.35 121.58 2doc s TYR 102 Ca 0.52 1.67 -0.12 0.00 -0.37 0.00 0.00 57.07 58.77 2doc s TYR 102 Cb -0.31 -3.16 0.19 0.00 -0.40 0.00 0.00 41.96 38.28 2doc s TYR 102 CO 0.39 -0.58 1.08 0.45 -1.57 0.00 0.00 175.55 175.32 2doc s SER 103 N -1.37 2.44 -0.12 2.29 0.15 0.35 -4.86 113.70 112.58 2doc s SER 103 Ca 0.54 1.54 -0.38 0.00 0.70 0.00 0.00 55.95 58.35 2doc s SER 103 Cb -0.25 -2.21 -0.16 0.00 -1.71 0.00 0.00 66.02 61.69 2doc s SER 103 CO 0.31 -3.29 1.62 0.29 1.20 0.00 0.00 173.24 173.37 2doc n LYS 104 N -4.32 1.30 -1.70 5.44 4.01 -1.26 -4.61 118.16 117.03 2doc n LYS 104 Ca 0.06 0.48 -0.58 0.00 -0.51 0.00 0.00 58.31 57.76 2doc n LYS 104 Cb 0.55 -2.17 -0.07 0.00 -0.51 0.00 0.00 35.03 32.83 2doc n LYS 104 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2doc n ILE 105 N 3.92 0.25 -3.90 -0.18 2.08 -1.26 -4.81 119.36 115.45 2doc n ILE 105 Ca 0.23 -0.05 -0.36 0.00 0.56 0.00 0.00 62.75 63.13 2doc n ILE 105 Cb 0.17 -1.13 -0.06 0.00 -0.75 0.00 0.00 39.64 37.88 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 3.16 3.42 -0.21 0.38 0.41 0.10 -4.96 118.70 121.00 2doc s GLU 106 Ca 0.97 -0.17 0.01 0.00 -0.41 0.00 0.00 54.97 55.37 2doc s GLU 106 Cb -1.09 -3.16 0.05 0.00 -1.78 0.00 0.00 34.13 28.15 2doc s GLU 106 CO 0.65 0.76 -0.09 0.42 -0.49 0.00 0.00 175.26 176.51 2doc s ILE 107 N -1.07 1.62 -0.03 -1.63 1.01 -1.26 0.24 121.20 120.07 2doc s ILE 107 Ca 0.17 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2doc s ILE 107 Cb -0.12 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2doc s ILE 107 CO 0.06 0.09 -0.17 0.72 0.00 0.00 0.00 174.94 175.64 2doc s PHE 108 N 1.39 1.68 -0.26 3.97 -0.12 -0.78 -4.98 117.98 118.88 2doc s PHE 108 Ca -0.03 -0.44 -0.06 0.00 -0.05 0.00 0.00 56.93 56.36 2doc s PHE 108 Cb -0.17 -1.12 -0.00 0.00 -0.63 0.00 0.00 43.02 41.10 2doc s PHE 108 CO -0.08 -0.13 0.03 -1.14 -0.05 0.00 0.00 175.22 173.86 2doc s GLN 109 N -0.09 3.30 1.11 1.99 0.74 -1.26 -1.39 119.66 124.05 2doc s GLN 109 Ca -0.01 -0.70 -0.20 0.00 0.05 0.00 0.00 55.36 54.50 2doc s GLN 109 Cb -0.10 -3.23 0.08 0.00 1.10 0.00 0.00 33.01 30.85 2doc s GLN 109 CO 0.01 -0.31 -0.16 0.25 -0.55 0.00 0.00 175.29 174.53 2doc n THR 110 N 4.85 0.00 -3.33 -0.34 -2.24 -0.05 -4.88 114.28 108.29 2doc n THR 110 Ca -0.16 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 2doc n THR 110 Cb 0.50 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.35 4.37 -0.14 3.22 1.43 -0.19 -4.04 118.68 122.99 2doc s LEU 111 Ca 0.54 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.47 2doc s LEU 111 Cb -0.09 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2doc s LEU 111 CO 0.66 0.13 1.55 -2.16 0.23 0.00 0.00 176.35 176.77 2doc s PRO 112 N -1.80 4.06 0.36 1.29 0.04 -1.26 -3.32 135.00 134.36 2doc s PRO 112 Ca 0.36 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 2doc s PRO 112 Cb -0.16 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.29 2doc s PRO 112 CO 0.19 -0.97 0.09 0.28 0.04 0.00 0.00 177.00 176.63 2doc n VAL 113 N 5.78 0.61 -3.74 -0.36 0.31 -1.26 -4.91 118.33 114.75 2doc n VAL 113 Ca 0.17 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.68 2doc n VAL 113 Cb 0.44 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.90 5.20 0.17 4.52 0.15 -1.26 -5.09 113.70 116.49 2doc s SER 114 Ca 0.53 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 2doc s SER 114 Cb -0.58 -1.94 -0.07 0.00 -1.71 0.00 0.00 66.02 61.73 2doc s SER 114 CO 0.56 -0.06 0.54 -0.83 1.20 0.00 0.00 173.24 174.66 2doc s GLY 115 N 1.61 2.41 0.00 9.45 0.00 -1.26 -4.96 107.32 114.57 2doc s GLY 115 Ca 0.06 -0.18 0.16 0.00 0.00 0.00 0.00 44.72 44.76 2doc s GLY 115 CO 0.04 0.07 1.35 -1.55 0.00 0.00 0.00 173.10 173.01 2doc n PRO 116 N 0.56 0.48 -1.03 2.90 -0.04 -1.26 -4.89 135.00 131.73 2doc n PRO 116 Ca -0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 2doc n PRO 116 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2doc n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2doc n SER 117 N -1.01 -1.40 0.00 3.54 2.88 -1.26 -4.88 113.62 111.50 2doc n SER 117 Ca 0.12 0.77 -0.17 0.00 -1.33 0.00 0.00 58.87 58.25 2doc n SER 117 Cb 0.06 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 62.70 2doc n SER 117 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2doc h SER 118 N 0.57 0.45 0.00 -3.46 4.64 -2.07 -3.55 113.55 110.13 2doc h SER 118 Ca -0.24 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 2doc h SER 118 Cb 1.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2doc h SER 118 CO 0.40 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.17