#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c2t n SER 2 N 0.00 6.00 0.00 6.12 3.41 -1.26 -4.92 113.62 122.98 3c2t n SER 2 Ca 0.00 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 3c2t n SER 2 Cb 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 3c2t n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3c2t n SER 3 N 1.85 1.57 -4.43 4.04 7.64 -1.26 -4.80 113.62 118.24 3c2t n SER 3 Ca 0.25 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.69 3c2t n SER 3 Cb 0.36 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3c2t n SER 3 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3c2t s LEU 4 N 0.00 5.04 -0.35 -3.43 2.96 -1.26 -3.84 118.68 117.80 3c2t s LEU 4 Ca 0.00 -1.07 -0.28 0.00 -0.22 0.00 0.00 54.13 52.56 3c2t s LEU 4 Cb 0.00 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.30 3c2t s LEU 4 CO 0.00 -1.01 1.06 -0.76 -1.32 0.00 0.00 176.35 174.31 3c2t s LEU 5 N 2.79 3.90 -0.07 -0.68 1.02 -1.22 -4.95 118.68 119.47 3c2t s LEU 5 Ca 0.15 0.90 0.02 0.00 0.02 0.00 0.00 54.13 55.22 3c2t s LEU 5 Cb -0.20 -3.49 -0.03 0.00 0.02 0.00 0.00 46.19 42.49 3c2t s LEU 5 CO 0.10 -0.92 -0.12 -0.69 0.02 0.00 0.00 176.35 174.74 3c2t s VAL 6 N 3.72 3.23 -0.31 -1.59 1.01 -1.26 -1.55 120.40 123.65 3c2t s VAL 6 Ca 0.44 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3c2t s VAL 6 Cb -0.11 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.07 3c2t s VAL 6 CO 0.18 0.58 0.08 -0.75 0.00 0.00 0.00 175.10 175.19 3c2t s LYS 7 N -0.57 0.91 0.29 2.72 2.20 0.22 -4.98 119.74 120.54 3c2t s LYS 7 Ca 0.08 -1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 3c2t s LYS 7 Cb -0.12 -2.28 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 3c2t s LYS 7 CO 0.01 -0.96 1.45 0.15 -0.36 0.00 0.00 175.35 175.65 3c2t s LYS 8 N 1.46 4.23 -0.00 4.03 1.02 -1.26 -1.93 119.74 127.28 3c2t s LYS 8 Ca 0.09 2.38 0.05 0.00 0.02 0.00 0.00 55.97 58.51 3c2t s LYS 8 Cb -0.18 -3.06 0.13 0.00 -0.52 0.00 0.00 37.83 34.20 3c2t s LYS 8 CO -0.20 -0.44 1.11 1.28 -0.92 0.00 0.00 175.35 176.18 3c2t n LEU 9 N 1.71 2.39 -3.63 3.17 4.77 0.17 -4.95 117.00 120.64 3c2t n LEU 9 Ca 0.05 -2.01 -0.11 0.00 -0.03 0.00 0.00 56.01 53.91 3c2t n LEU 9 Cb 0.40 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3c2t n LEU 9 CO 0.61 0.60 0.49 -0.69 -1.33 0.00 0.00 177.39 177.07 3c2t s VAL 10 N -1.01 0.00 0.43 4.08 1.01 -1.24 -5.01 120.40 118.66 3c2t s VAL 10 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.18 3c2t s VAL 10 Cb 0.05 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.66 3c2t s VAL 10 CO 0.07 0.00 2.04 -0.08 0.00 0.00 0.00 175.10 177.12 3c2t h GLU 11 N 5.29 0.30 -0.77 2.72 4.81 -1.94 -1.82 114.58 123.17 3c2t h GLU 11 Ca -0.29 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3c2t h GLU 11 Cb 1.18 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3c2t h GLU 11 CO 0.09 0.27 0.51 1.03 -0.73 0.00 0.00 179.01 180.18 3c2t h SER 12 N 0.30 0.40 -3.23 1.04 0.87 -1.96 -3.43 113.55 107.54 3c2t h SER 12 Ca 0.08 0.02 -0.57 0.00 -1.23 0.00 0.00 61.79 60.08 3c2t h SER 12 Cb 0.10 -0.06 0.12 0.00 -0.44 0.00 0.00 62.40 62.12 3c2t h SER 12 CO -0.01 0.21 0.36 0.00 -0.53 0.00 0.00 176.83 176.86 3c2t n ALA 13 N -2.52 0.80 -2.82 6.23 0.00 -0.69 -4.87 120.51 116.65 3c2t n ALA 13 Ca 0.15 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 3c2t n ALA 13 Cb 0.53 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3c2t n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3c2t s THR 14 N -1.18 4.99 -0.05 0.00 2.01 -1.26 -5.01 115.64 115.13 3c2t s THR 14 Ca 0.60 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3c2t s THR 14 Cb -0.56 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 3c2t s THR 14 CO 0.59 0.37 1.06 -0.89 -0.69 0.00 0.00 174.62 175.05 3c2t s THR 15 N -1.22 4.63 0.46 -0.82 2.01 -1.26 -4.85 115.64 114.59 3c2t s THR 15 Ca 0.23 1.90 -0.23 0.00 0.31 0.00 0.00 61.69 63.91 3c2t s THR 15 Cb -0.12 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 3c2t s THR 15 CO 0.14 0.05 1.04 -0.81 -0.69 0.00 0.00 174.62 174.36 3c2t n PRO 16 N 4.66 1.36 -3.68 4.92 -0.04 -1.26 -4.96 135.00 136.00 3c2t n PRO 16 Ca 0.08 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3c2t n PRO 16 Cb 0.49 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 3c2t n PRO 16 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3c2t s MET 17 N -2.19 0.66 0.25 0.54 1.75 -1.23 -4.86 119.30 114.23 3c2t s MET 17 Ca 0.65 0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 55.62 3c2t s MET 17 Cb -0.52 0.30 -0.09 0.00 2.84 0.00 0.00 34.83 37.36 3c2t s MET 17 CO 0.55 -0.09 1.03 1.03 -0.65 0.00 0.00 175.02 176.89 3c2t s ARG 18 N 0.44 4.73 0.00 4.11 0.52 -1.26 -0.46 118.95 127.03 3c2t s ARG 18 Ca -0.01 1.65 0.30 0.00 -0.52 0.00 0.00 55.73 57.15 3c2t s ARG 18 Cb -0.04 -3.24 1.44 0.00 0.52 0.00 0.00 34.95 33.62 3c2t s ARG 18 CO -0.01 0.32 1.97 0.41 0.02 0.00 0.00 175.30 178.01 3c2t n GLY 19 N 1.44 -0.71 3.70 -3.53 0.00 -1.26 -4.94 105.19 99.89 3c2t n GLY 19 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 3c2t n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c2t s SER 20 N -2.17 -0.23 0.16 1.61 1.04 -1.26 -4.97 113.70 107.88 3c2t s SER 20 Ca 0.39 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 3c2t s SER 20 Cb 0.21 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.90 3c2t s SER 20 CO 0.40 -0.86 1.71 -0.08 0.98 0.00 0.00 173.24 175.39 3c2t h GLU 21 N 2.00 0.14 -0.01 4.02 4.57 -2.03 -2.72 114.58 120.55 3c2t h GLU 21 Ca -0.24 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3c2t h GLU 21 Cb 1.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3c2t h GLU 21 CO 0.27 0.09 -0.23 0.41 -1.18 0.00 0.00 179.01 178.37 3c2t n GLY 22 N -1.25 -0.23 3.50 1.92 0.00 -1.26 -4.97 105.19 102.89 3c2t n GLY 22 Ca 0.02 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3c2t n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c2t n ALA 23 N -0.20 -1.25 0.05 4.61 0.00 -1.03 -4.90 120.51 117.79 3c2t n ALA 23 Ca 0.13 0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.97 3c2t n ALA 23 Cb 0.39 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 3c2t n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c2t n ALA 24 N -0.20 2.43 -2.38 0.00 0.00 -1.26 -4.92 120.51 114.18 3c2t n ALA 24 Ca 0.12 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 3c2t n ALA 24 Cb 0.33 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 3c2t n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3c2t s GLY 25 N -4.56 1.66 -0.23 0.00 0.00 -1.26 -4.61 107.32 98.32 3c2t s GLY 25 Ca -0.04 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 42.77 3c2t s GLY 25 CO 0.83 -1.76 0.15 -0.19 0.00 0.00 0.00 173.10 172.13 3c2t s TYR 26 N -3.17 3.33 0.44 1.90 1.51 0.11 -4.19 117.35 117.28 3c2t s TYR 26 Ca 0.28 0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 56.32 3c2t s TYR 26 Cb 0.04 -2.25 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 3c2t s TYR 26 CO 0.10 0.10 1.38 -0.25 -1.11 0.00 0.00 175.55 175.77 3c2t n ASP 27 N 4.15 3.09 -4.05 2.29 8.00 0.40 -0.31 116.55 130.11 3c2t n ASP 27 Ca -0.15 1.12 -0.31 0.00 0.71 0.00 0.00 54.79 56.15 3c2t n ASP 27 Cb 0.52 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.89 3c2t n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3c2t s ILE 28 N -1.19 1.78 0.23 0.53 -1.09 -0.80 -3.47 121.20 117.18 3c2t s ILE 28 Ca 0.61 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3c2t s ILE 28 Cb -0.47 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3c2t s ILE 28 CO 0.58 0.41 0.32 -0.44 -1.23 0.00 0.00 174.94 174.58 3c2t s SER 29 N 1.39 6.19 0.42 3.58 0.01 -1.26 -0.74 113.70 123.29 3c2t s SER 29 Ca 0.03 0.03 -0.21 0.00 1.31 0.00 0.00 55.95 57.11 3c2t s SER 29 Cb -0.14 -1.79 -0.11 0.00 0.21 0.00 0.00 66.02 64.19 3c2t s SER 29 CO -0.11 -0.05 0.96 -0.55 0.41 0.00 0.00 173.24 173.91 3c2t s SER 30 N -3.84 6.92 -0.02 2.44 0.15 0.11 -4.54 113.70 114.92 3c2t s SER 30 Ca 0.34 1.73 0.04 0.00 0.70 0.00 0.00 55.95 58.76 3c2t s SER 30 Cb -0.09 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 3c2t s SER 30 CO 0.28 -0.37 1.05 0.55 1.20 0.00 0.00 173.24 175.95 3c2t n VAL 31 N -0.55 1.14 -3.73 4.45 3.14 -0.85 0.34 118.33 122.27 3c2t n VAL 31 Ca 0.07 -1.19 -0.14 0.00 -2.96 0.00 0.00 64.34 60.12 3c2t n VAL 31 Cb 0.53 0.38 -0.08 0.00 -1.06 0.00 0.00 33.84 33.62 3c2t n VAL 31 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3c2t s GLU 32 N -1.29 0.72 -0.43 1.45 -1.05 -1.26 -4.81 118.70 112.03 3c2t s GLU 32 Ca 0.07 -0.19 -0.25 0.00 -0.15 0.00 0.00 54.97 54.46 3c2t s GLU 32 Cb 0.06 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.09 3c2t s GLU 32 CO 0.02 -0.21 0.88 -0.51 0.95 0.00 0.00 175.26 176.40 3c2t s ASP 33 N -1.41 6.53 0.21 0.83 -0.00 -1.26 -3.44 116.67 118.13 3c2t s ASP 33 Ca -0.12 0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.66 3c2t s ASP 33 Cb -0.04 -2.44 -0.05 0.00 -0.00 0.00 0.00 42.92 40.39 3c2t s ASP 33 CO 0.04 -0.95 0.02 0.54 -0.00 0.00 0.00 175.17 174.82 3c2t s VAL 34 N 3.54 0.77 -0.17 -1.27 0.11 0.09 -4.97 120.40 118.49 3c2t s VAL 34 Ca 0.35 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.41 3c2t s VAL 34 Cb -0.11 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.48 3c2t s VAL 34 CO 0.23 -0.35 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.77 3c2t s VAL 35 N -3.60 2.01 -0.47 2.04 1.01 -1.26 -0.69 120.40 119.44 3c2t s VAL 35 Ca 0.28 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 3c2t s VAL 35 Cb 0.06 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3c2t s VAL 35 CO 0.07 0.53 0.56 0.54 0.00 0.00 0.00 175.10 176.80 3c2t s VAL 36 N 1.29 4.95 0.50 2.92 0.11 -0.84 -4.93 120.40 124.40 3c2t s VAL 36 Ca 0.04 -0.42 -0.21 0.00 -2.93 0.00 0.00 61.98 58.47 3c2t s VAL 36 Cb -0.13 -4.21 -0.09 0.00 -1.53 0.00 0.00 36.38 30.42 3c2t s VAL 36 CO -0.12 -0.66 0.72 -2.65 -3.33 0.00 0.00 175.10 169.06 3c2t n PRO 37 N 5.96 0.80 -1.81 1.54 -0.02 -1.26 -2.08 135.00 138.12 3c2t n PRO 37 Ca -0.06 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 3c2t n PRO 37 Cb 0.46 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3c2t n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3c2t s ALA 38 N -1.51 3.50 -0.87 3.55 0.00 -1.26 -0.96 121.76 124.21 3c2t s ALA 38 Ca 0.67 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3c2t s ALA 38 Cb -0.51 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3c2t s ALA 38 CO 0.55 -1.07 0.00 -1.33 0.00 0.00 0.00 175.76 173.90 3c2t n MET 39 N 0.33 -1.24 -4.61 0.00 2.81 -0.13 -4.87 117.12 109.40 3c2t n MET 39 Ca 0.02 0.48 -0.28 0.00 -1.81 0.00 0.00 57.70 56.11 3c2t n MET 39 Cb 0.40 -4.66 -0.09 0.00 -0.71 0.00 0.00 33.22 28.16 3c2t n MET 39 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3c2t s GLY 40 N -1.72 2.65 0.20 3.03 0.00 -0.14 -4.89 107.32 106.46 3c2t s GLY 40 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.53 3c2t s GLY 40 CO 0.00 -2.01 -0.13 1.09 0.00 0.00 0.00 173.10 172.05 3c2t s ARG 41 N -3.80 1.30 0.11 2.90 1.70 -1.26 0.11 118.95 120.00 3c2t s ARG 41 Ca 0.21 -1.58 -0.11 0.00 -0.47 0.00 0.00 55.73 53.79 3c2t s ARG 41 Cb 0.05 -1.03 0.01 0.00 -0.57 0.00 0.00 34.95 33.40 3c2t s ARG 41 CO 0.11 0.16 0.27 -1.50 -1.08 0.00 0.00 175.30 173.26 3c2t s ILE 42 N -3.04 0.11 -0.45 4.99 1.10 -0.52 -4.76 121.20 118.63 3c2t s ILE 42 Ca 0.22 -1.01 -0.03 0.00 -0.51 0.00 0.00 60.65 59.32 3c2t s ILE 42 Cb 0.00 -1.34 0.12 0.00 0.15 0.00 0.00 42.46 41.39 3c2t s ILE 42 CO 0.06 -0.51 0.25 0.00 -2.11 0.00 0.00 174.94 172.64 3c2t s ALA 43 N -3.85 3.25 0.29 1.50 0.00 -1.26 -1.68 121.76 120.00 3c2t s ALA 43 Ca 0.06 -2.67 -0.28 0.00 0.00 0.00 0.00 51.96 49.06 3c2t s ALA 43 Cb 0.04 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 3c2t s ALA 43 CO -0.10 -1.86 0.99 0.08 0.00 0.00 0.00 175.76 174.87 3c2t s VAL 44 N 0.93 3.93 -0.16 0.00 1.01 -0.16 -4.86 120.40 121.10 3c2t s VAL 44 Ca 0.10 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 3c2t s VAL 44 Cb -0.23 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3c2t s VAL 44 CO -0.04 0.31 0.26 -0.44 0.00 0.00 0.00 175.10 175.19 3c2t s SER 45 N -1.28 6.41 0.06 3.32 0.01 -1.26 -0.81 113.70 120.14 3c2t s SER 45 Ca 0.46 0.47 0.12 0.00 1.31 0.00 0.00 55.95 58.32 3c2t s SER 45 Cb -0.25 -2.16 -0.17 0.00 0.21 0.00 0.00 66.02 63.65 3c2t s SER 45 CO 0.31 0.14 0.95 0.71 0.41 0.00 0.00 173.24 175.76 3c2t h THR 46 N 4.62 1.00 0.00 1.44 1.35 -1.71 -2.25 112.91 117.35 3c2t h THR 46 Ca -0.42 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 3c2t h THR 46 Cb 1.17 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 3c2t h THR 46 CO 0.74 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 177.19 3c2t n GLY 47 N 1.43 0.82 3.53 5.82 0.00 -1.26 -4.50 105.19 111.02 3c2t n GLY 47 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3c2t n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3c2t s ILE 48 N -3.15 1.84 -0.03 -0.61 -4.36 -1.26 0.44 121.20 114.07 3c2t s ILE 48 Ca 0.00 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3c2t s ILE 48 Cb 0.00 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.98 3c2t s ILE 48 CO 0.00 -0.12 -0.03 -0.55 0.24 0.00 0.00 174.94 174.48 3c2t s SER 49 N -3.58 0.62 0.16 4.36 0.15 -0.81 -0.58 113.70 114.01 3c2t s SER 49 Ca 0.33 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.95 3c2t s SER 49 Cb 0.06 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 3c2t s SER 49 CO 0.16 -0.04 -0.10 0.27 1.20 0.00 0.00 173.24 174.73 3c2t s ILE 50 N 0.65 1.19 -0.34 6.45 -0.00 -1.26 -0.61 121.20 127.28 3c2t s ILE 50 Ca -0.07 -2.07 0.03 0.00 -0.00 0.00 0.00 60.65 58.53 3c2t s ILE 50 Cb -0.11 -1.90 0.10 0.00 -0.00 0.00 0.00 42.46 40.56 3c2t s ILE 50 CO -0.01 -0.71 0.07 -0.60 -0.00 0.00 0.00 174.94 173.70 3c2t s ARG 51 N -3.75 1.26 0.75 0.37 3.52 -0.60 -4.81 118.95 115.69 3c2t s ARG 51 Ca 0.18 -1.66 -0.15 0.00 -0.13 0.00 0.00 55.73 53.97 3c2t s ARG 51 Cb 0.03 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3c2t s ARG 51 CO 0.01 -0.96 0.92 0.28 -0.81 0.00 0.00 175.30 174.74 3c2t n VAL 52 N 4.39 2.35 -0.42 7.11 0.31 -1.26 -3.41 118.33 127.39 3c2t n VAL 52 Ca 0.02 -0.33 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 3c2t n VAL 52 Cb 0.42 -1.04 0.27 0.00 -0.91 0.00 0.00 33.84 32.58 3c2t n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3c2t n PRO 53 N -1.97 -2.99 -2.30 5.55 -0.02 -1.25 -4.95 135.00 127.08 3c2t n PRO 53 Ca 0.12 -0.85 -0.34 0.00 -2.02 0.00 0.00 63.50 60.41 3c2t n PRO 53 Cb 0.50 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 3c2t n PRO 53 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3c2t s ASP 54 N -2.46 6.00 -1.39 2.55 2.15 -1.26 -3.71 116.67 118.55 3c2t s ASP 54 Ca 0.69 1.95 -0.10 0.00 0.43 0.00 0.00 52.55 55.52 3c2t s ASP 54 Cb -0.24 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 3c2t s ASP 54 CO 0.65 -1.02 1.15 0.61 -0.17 0.00 0.00 175.17 176.39 3c2t n GLY 55 N -0.40 -0.54 3.51 2.66 0.00 -1.26 -4.97 105.19 104.18 3c2t n GLY 55 Ca 0.10 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.37 3c2t n GLY 55 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3c2t s THR 56 N -3.31 -0.15 0.59 2.61 -1.32 -1.24 -3.14 115.64 109.68 3c2t s THR 56 Ca 0.59 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.13 3c2t s THR 56 Cb -0.27 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.81 3c2t s THR 56 CO 0.73 0.00 0.82 -0.72 -2.21 0.00 0.00 174.62 173.24 3c2t s TYR 57 N 1.69 1.73 -0.18 9.09 1.13 -0.62 -4.36 117.35 125.83 3c2t s TYR 57 Ca -0.06 -0.51 -0.02 0.00 -1.41 0.00 0.00 57.07 55.07 3c2t s TYR 57 Cb -0.03 -2.48 -0.01 0.00 -1.10 0.00 0.00 41.96 38.33 3c2t s TYR 57 CO -0.15 -1.20 -0.08 0.20 -2.51 0.00 0.00 175.55 171.82 3c2t s GLY 58 N -4.63 1.58 -0.22 5.49 0.00 -0.95 -0.95 107.32 107.64 3c2t s GLY 58 Ca 0.62 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 3c2t s GLY 58 CO 0.40 0.18 0.01 -1.60 0.00 0.00 0.00 173.10 172.09 3c2t s ARG 59 N 1.01 3.56 -0.59 2.90 3.52 -0.63 -1.04 118.95 127.68 3c2t s ARG 59 Ca -0.00 -0.54 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 3c2t s ARG 59 Cb -0.15 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 3c2t s ARG 59 CO -0.01 -0.12 1.31 0.42 -0.81 0.00 0.00 175.30 176.10 3c2t s ILE 60 N 1.35 3.87 0.12 4.11 -1.09 0.47 -1.84 121.20 128.19 3c2t s ILE 60 Ca 0.04 0.73 0.02 0.00 -2.23 0.00 0.00 60.65 59.21 3c2t s ILE 60 Cb -0.15 -4.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.08 3c2t s ILE 60 CO 0.01 -1.33 0.24 0.00 -1.23 0.00 0.00 174.94 172.63 3c2t s ALA 61 N 5.60 3.91 0.65 9.38 0.00 -0.06 -4.74 121.76 136.50 3c2t s ALA 61 Ca 0.46 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3c2t s ALA 61 Cb -0.09 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3c2t s ALA 61 CO 0.24 0.62 1.07 -1.25 0.00 0.00 0.00 175.76 176.44 3c2t s PRO 62 N -2.98 3.00 -0.11 0.00 0.04 -1.26 -2.14 135.00 131.56 3c2t s PRO 62 Ca 0.34 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 3c2t s PRO 62 Cb -0.12 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3c2t s PRO 62 CO 0.27 -1.06 0.39 1.03 0.04 0.00 0.00 177.00 177.68 3c2t s ARG 63 N -4.46 4.20 0.28 4.56 0.52 -1.26 -4.82 118.95 117.98 3c2t s ARG 63 Ca 0.62 0.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 3c2t s ARG 63 Cb -0.16 -3.38 0.69 0.00 0.52 0.00 0.00 34.95 32.62 3c2t s ARG 63 CO 0.45 0.32 1.68 0.77 0.02 0.00 0.00 175.30 178.54 3c2t h SER 64 N 6.21 0.20 0.00 0.23 0.02 -1.98 -1.95 113.55 116.27 3c2t h SER 64 Ca -0.44 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3c2t h SER 64 Cb 1.18 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3c2t h SER 64 CO 0.72 -0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 3c2t n GLY 65 N -1.35 -2.98 0.35 -3.77 0.00 -1.26 -1.96 105.19 94.22 3c2t n GLY 65 Ca 0.21 0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.65 3c2t n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3c2t h LEU 66 N 0.00 0.00 0.43 0.99 4.07 -1.89 -1.39 115.31 117.53 3c2t h LEU 66 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3c2t h LEU 66 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3c2t h LEU 66 CO 0.00 0.00 -0.21 0.00 -1.08 0.00 0.00 178.44 177.15 3c2t h ALA 67 N 1.63 -0.58 0.68 1.53 0.00 -1.28 -1.47 119.26 119.77 3c2t h ALA 67 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3c2t h ALA 67 Cb 0.65 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3c2t h ALA 67 CO -0.00 -0.58 -0.36 -0.92 0.00 0.00 0.00 179.25 177.39 3c2t h TYR 68 N -1.07 -0.94 -0.82 0.00 3.20 -0.86 -0.26 116.97 116.22 3c2t h TYR 68 Ca -0.06 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 3c2t h TYR 68 Cb 0.53 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 3c2t h TYR 68 CO 0.02 -0.56 0.38 -0.22 -1.64 0.00 0.00 178.16 176.13 3c2t h LYS 69 N -0.95 1.20 0.00 1.82 1.63 -1.42 -3.34 116.57 115.50 3c2t h LYS 69 Ca -0.09 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 3c2t h LYS 69 Cb 0.74 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3c2t h LYS 69 CO 0.13 0.94 0.00 0.66 -3.45 0.00 0.00 179.45 177.73 3c2t n TYR 70 N -4.31 0.00 -2.90 1.91 4.02 -0.73 -5.00 117.16 110.15 3c2t n TYR 70 Ca 0.08 -0.23 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 3c2t n TYR 70 Cb 0.15 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.48 3c2t n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3c2t n GLY 71 N -0.23 -0.38 3.67 2.72 0.00 -0.11 -4.40 105.19 106.47 3c2t n GLY 71 Ca 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3c2t n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c2t s ILE 72 N -3.10 5.03 0.29 -0.61 -1.09 -0.63 -1.12 121.20 119.97 3c2t s ILE 72 Ca 0.25 1.25 0.11 0.00 -2.23 0.00 0.00 60.65 60.03 3c2t s ILE 72 Cb -0.11 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 3c2t s ILE 72 CO 0.32 0.14 -0.14 -0.62 -1.23 0.00 0.00 174.94 173.41 3c2t s ASP 73 N 1.08 3.80 -0.28 3.58 3.68 -0.49 -3.88 116.67 124.15 3c2t s ASP 73 Ca 0.31 -1.00 -0.04 0.00 2.13 0.00 0.00 52.55 53.94 3c2t s ASP 73 Cb -0.16 -0.40 0.02 0.00 -1.45 0.00 0.00 42.92 40.93 3c2t s ASP 73 CO 0.12 -0.03 0.02 -0.69 0.13 0.00 0.00 175.17 174.72 3c2t s VAL 74 N -2.50 3.45 0.52 1.11 1.01 -1.26 -0.36 120.40 122.36 3c2t s VAL 74 Ca 0.31 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 3c2t s VAL 74 Cb -0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3c2t s VAL 74 CO 0.16 0.07 0.84 -0.76 0.00 0.00 0.00 175.10 175.42 3c2t s LEU 75 N 1.40 3.51 0.00 3.92 1.43 -0.02 -4.82 118.68 124.10 3c2t s LEU 75 Ca 0.00 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 3c2t s LEU 75 Cb -0.17 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3c2t s LEU 75 CO -0.00 -0.69 0.00 0.00 0.23 0.00 0.00 176.35 175.89 3c2t n ALA 76 N -2.39 0.00 -0.83 4.21 0.00 -1.26 -4.45 120.51 115.80 3c2t n ALA 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3c2t n ALA 76 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3c2t n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c2t n GLY 77 N 0.00 0.75 3.50 0.00 0.00 -1.26 -4.90 105.19 103.28 3c2t n GLY 77 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3c2t n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c2t s VAL 78 N -2.85 5.04 -0.32 1.61 1.01 -1.26 -0.40 120.40 123.24 3c2t s VAL 78 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3c2t s VAL 78 Cb 0.00 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.36 3c2t s VAL 78 CO 0.00 -0.39 0.11 -0.63 0.00 0.00 0.00 175.10 174.18 3c2t s ILE 79 N 2.27 4.04 0.56 2.22 1.01 -0.20 -5.03 121.20 126.07 3c2t s ILE 79 Ca 0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3c2t s ILE 79 Cb -0.16 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 3c2t s ILE 79 CO 0.14 -0.03 1.08 -1.81 0.00 0.00 0.00 174.94 174.32 3c2t s ASP 80 N 1.49 5.81 0.15 3.58 1.11 -1.26 -2.23 116.67 125.31 3c2t s ASP 80 Ca 0.01 1.99 0.14 0.00 0.18 0.00 0.00 52.55 54.87 3c2t s ASP 80 Cb -0.18 -2.56 0.67 0.00 1.07 0.00 0.00 42.92 41.92 3c2t s ASP 80 CO 0.03 -1.15 1.43 1.21 1.18 0.00 0.00 175.17 177.87 3c2t n GLU 81 N -1.57 0.08 -0.32 8.23 0.00 -1.26 -1.32 120.64 124.47 3c2t n GLU 81 Ca 0.10 0.48 0.10 0.00 0.00 0.00 0.00 57.16 57.84 3c2t n GLU 81 Cb 0.52 -1.72 0.27 0.00 0.00 0.00 0.00 31.44 30.52 3c2t n GLU 81 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3c2t n ASP 82 N -1.88 3.68 -4.61 4.31 5.75 -1.26 -4.70 116.55 117.84 3c2t n ASP 82 Ca 0.01 -2.03 -0.43 0.00 -0.01 0.00 0.00 54.79 52.32 3c2t n ASP 82 Cb 0.09 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 3c2t n ASP 82 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3c2t s TYR 83 N -1.06 2.76 -0.63 2.11 5.04 -0.43 -4.88 117.35 120.26 3c2t s TYR 83 Ca 0.41 0.81 0.22 0.00 -2.44 0.00 0.00 57.07 56.07 3c2t s TYR 83 Cb 0.22 -4.20 -0.14 0.00 0.35 0.00 0.00 41.96 38.19 3c2t s TYR 83 CO 0.27 -1.42 0.85 -2.37 -1.34 0.00 0.00 175.55 171.54 3c2t n THR 84 N 6.63 0.06 -0.61 4.34 5.66 -1.26 -4.64 114.28 124.45 3c2t n THR 84 Ca 0.13 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 3c2t n THR 84 Cb 0.48 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 3c2t n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3c2t n GLY 85 N 1.40 -1.77 3.80 1.09 0.00 -1.26 -4.88 105.19 103.56 3c2t n GLY 85 Ca 0.01 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 3c2t n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c2t s GLU 86 N -2.52 4.34 -0.08 1.61 2.12 -1.26 -4.48 118.70 118.43 3c2t s GLU 86 Ca 0.00 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 3c2t s GLU 86 Cb 0.00 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 3c2t s GLU 86 CO 0.00 0.49 1.30 0.08 -0.54 0.00 0.00 175.26 176.59 3c2t s VAL 87 N -1.34 4.09 -0.11 3.70 1.01 0.25 -4.98 120.40 123.02 3c2t s VAL 87 Ca 0.38 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 3c2t s VAL 87 Cb -0.19 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3c2t s VAL 87 CO 0.22 -0.05 -0.05 -0.75 0.00 0.00 0.00 175.10 174.48 3c2t s LYS 88 N 2.80 3.19 -0.34 2.72 2.47 -1.26 -2.38 119.74 126.94 3c2t s LYS 88 Ca 0.59 -0.52 -0.06 0.00 -1.56 0.00 0.00 55.97 54.41 3c2t s LYS 88 Cb -0.26 -2.75 0.04 0.00 -1.46 0.00 0.00 37.83 33.40 3c2t s LYS 88 CO 0.21 0.48 0.10 0.08 0.16 0.00 0.00 175.35 176.38 3c2t s VAL 89 N -0.30 3.75 -0.48 4.02 1.01 0.01 -4.92 120.40 123.48 3c2t s VAL 89 Ca 0.05 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 3c2t s VAL 89 Cb -0.13 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.17 3c2t s VAL 89 CO 0.02 -0.18 0.71 -0.63 0.00 0.00 0.00 175.10 175.02 3c2t s ILE 90 N 1.39 4.74 0.06 2.22 1.01 -1.26 -0.99 121.20 128.38 3c2t s ILE 90 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3c2t s ILE 90 Cb -0.20 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 3c2t s ILE 90 CO 0.03 -0.78 0.16 -0.76 0.00 0.00 0.00 174.94 173.59 3c2t s LEU 91 N 3.02 4.18 -0.14 2.97 1.43 -0.68 -0.84 118.68 128.62 3c2t s LEU 91 Ca 0.22 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3c2t s LEU 91 Cb -0.15 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.32 3c2t s LEU 91 CO 0.17 0.18 -0.13 -0.47 0.23 0.00 0.00 176.35 176.33 3c2t s TYR 92 N -1.45 1.98 -0.48 0.29 6.14 0.51 -1.44 117.35 122.91 3c2t s TYR 92 Ca 0.32 -1.08 -0.26 0.00 0.64 0.00 0.00 57.07 56.69 3c2t s TYR 92 Cb -0.13 -1.49 0.03 0.00 0.42 0.00 0.00 41.96 40.79 3c2t s TYR 92 CO 0.25 -0.62 0.99 1.21 0.64 0.00 0.00 175.55 178.03 3c2t s ASN 93 N 1.50 6.52 0.26 4.32 3.84 0.12 -1.40 114.94 130.10 3c2t s ASN 93 Ca 0.04 0.17 0.25 0.00 0.21 0.00 0.00 52.86 53.53 3c2t s ASN 93 Cb -0.13 -2.48 0.92 0.00 -0.55 0.00 0.00 41.25 39.01 3c2t s ASN 93 CO -0.09 -1.14 1.75 0.74 -2.79 0.00 0.00 177.10 175.57 3c2t h THR 94 N 6.12 0.00 -4.01 -5.21 2.02 -1.37 -1.32 112.91 109.14 3c2t h THR 94 Ca -0.24 -0.37 -0.48 0.00 0.77 0.00 0.00 66.41 66.09 3c2t h THR 94 Cb 1.07 1.23 0.07 0.00 -1.74 0.00 0.00 68.15 68.78 3c2t h THR 94 CO 1.07 0.00 0.28 -0.89 0.37 0.00 0.00 175.52 176.34 3c2t s THR 95 N -3.25 3.21 -2.46 3.16 2.01 -1.26 -4.72 115.64 112.33 3c2t s THR 95 Ca 0.07 0.10 0.26 0.00 0.31 0.00 0.00 61.69 62.43 3c2t s THR 95 Cb 0.10 -3.34 0.34 0.00 0.01 0.00 0.00 72.50 69.62 3c2t s THR 95 CO 0.49 -0.39 1.51 -0.62 -0.69 0.00 0.00 174.62 174.92 3c2t n GLU 96 N -2.84 1.66 -5.15 4.92 1.02 -1.26 -0.96 120.64 118.04 3c2t n GLU 96 Ca 0.06 -1.16 -0.30 0.00 -0.02 0.00 0.00 57.16 55.75 3c2t n GLU 96 Cb 0.58 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.36 3c2t n GLU 96 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3c2t s ARG 97 N -2.14 2.18 0.93 3.49 1.70 -1.26 -4.84 118.95 119.02 3c2t s ARG 97 Ca 0.31 -0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 54.64 3c2t s ARG 97 Cb 0.20 -1.93 0.11 0.00 -0.57 0.00 0.00 34.95 32.76 3c2t s ARG 97 CO 0.38 0.39 0.88 -0.25 -1.08 0.00 0.00 175.30 175.62 3c2t n ASP 98 N 2.84 -0.56 -4.21 -2.89 10.43 -1.26 -4.54 116.55 116.36 3c2t n ASP 98 Ca -0.17 0.38 -0.27 0.00 2.57 0.00 0.00 54.79 57.31 3c2t n ASP 98 Cb 0.52 -1.38 -0.15 0.00 1.84 0.00 0.00 41.12 41.95 3c2t n ASP 98 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3c2t s TYR 99 N -2.55 1.82 -0.14 1.24 6.04 -0.89 -4.95 117.35 117.91 3c2t s TYR 99 Ca 0.63 -0.34 -0.05 0.00 0.04 0.00 0.00 57.07 57.35 3c2t s TYR 99 Cb -0.22 -1.16 -0.03 0.00 -1.04 0.00 0.00 41.96 39.50 3c2t s TYR 99 CO 0.62 -0.03 0.02 0.42 -1.54 0.00 0.00 175.55 175.04 3c2t s ILE 100 N -0.49 4.45 -0.04 3.14 1.09 -1.26 -1.99 121.20 126.09 3c2t s ILE 100 Ca 0.08 -0.17 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 3c2t s ILE 100 Cb -0.08 -2.95 -0.01 0.00 -1.06 0.00 0.00 42.46 38.37 3c2t s ILE 100 CO -0.01 0.52 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.54 3c2t s ILE 101 N -0.07 1.56 0.01 2.92 1.01 0.14 -5.01 121.20 121.76 3c2t s ILE 101 Ca 0.05 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3c2t s ILE 101 Cb -0.13 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3c2t s ILE 101 CO 0.02 0.44 -0.22 -0.54 0.00 0.00 0.00 174.94 174.64 3c2t s LYS 102 N -0.03 1.63 -0.03 2.79 1.02 -1.26 -0.73 119.74 123.12 3c2t s LYS 102 Ca -0.03 -0.86 -0.34 0.00 0.02 0.00 0.00 55.97 54.77 3c2t s LYS 102 Cb -0.12 -1.65 -0.17 0.00 -0.52 0.00 0.00 37.83 35.38 3c2t s LYS 102 CO 0.02 0.44 0.92 1.63 -0.92 0.00 0.00 175.35 177.44 3c2t n LYS 103 N 2.25 0.00 0.00 1.68 5.02 -1.22 -0.40 118.16 125.48 3c2t n LYS 103 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3c2t n LYS 103 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3c2t n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c2t n GLY 104 N 1.41 2.83 3.66 0.72 0.00 0.15 -4.95 105.19 109.01 3c2t n GLY 104 Ca 0.17 -0.48 -0.46 0.00 0.00 0.00 0.00 46.02 45.25 3c2t n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3c2t n ASP 105 N 0.43 2.86 -4.61 1.61 8.00 0.46 -4.43 116.55 120.87 3c2t n ASP 105 Ca 0.00 1.10 -0.43 0.00 0.71 0.00 0.00 54.79 56.17 3c2t n ASP 105 Cb 0.00 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 39.68 3c2t n ASP 105 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3c2t s ARG 106 N 0.64 3.69 0.00 -1.24 0.52 -1.26 0.10 118.95 121.39 3c2t s ARG 106 Ca 0.78 1.02 0.20 0.00 -0.52 0.00 0.00 55.73 57.21 3c2t s ARG 106 Cb -0.71 -3.98 -0.09 0.00 0.52 0.00 0.00 34.95 30.69 3c2t s ARG 106 CO 0.41 -1.42 0.94 0.44 0.02 0.00 0.00 175.30 175.69 3c2t n ILE 107 N 6.80 0.00 -2.79 1.52 -5.35 0.08 -4.94 119.36 114.69 3c2t n ILE 107 Ca 0.16 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3c2t n ILE 107 Cb 0.48 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 3c2t n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3c2t n ALA 108 N -0.62 0.00 -3.55 -1.28 0.00 -1.06 -4.74 120.51 109.27 3c2t n ALA 108 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 3c2t n ALA 108 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 3c2t n ALA 108 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3c2t s GLN 109 N 0.10 0.67 0.10 0.00 -2.07 -0.91 -1.89 119.66 115.65 3c2t s GLN 109 Ca 0.00 0.89 -0.16 0.00 -1.82 0.00 0.00 55.36 54.27 3c2t s GLN 109 Cb 0.00 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 32.12 3c2t s GLN 109 CO 0.00 -0.10 0.54 -1.17 -1.32 0.00 0.00 175.29 173.24 3c2t s LEU 110 N 0.66 4.43 -0.16 2.60 2.96 0.58 -0.89 118.68 128.86 3c2t s LEU 110 Ca -0.03 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.99 3c2t s LEU 110 Cb -0.05 -3.05 0.05 0.00 0.50 0.00 0.00 46.19 43.65 3c2t s LEU 110 CO -0.04 0.19 0.04 -0.63 -1.32 0.00 0.00 176.35 174.59 3c2t s ILE 111 N -1.29 0.36 -0.86 6.68 1.01 -0.76 -0.71 121.20 125.63 3c2t s ILE 111 Ca 0.33 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3c2t s ILE 111 Cb -0.17 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 3c2t s ILE 111 CO 0.18 -0.12 1.71 -0.76 0.00 0.00 0.00 174.94 175.96 3c2t s LEU 112 N 1.94 3.28 -0.11 2.97 1.43 -1.26 -1.61 118.68 125.33 3c2t s LEU 112 Ca 0.01 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 3c2t s LEU 112 Cb -0.16 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3c2t s LEU 112 CO -0.07 -2.22 0.46 -1.61 0.23 0.00 0.00 176.35 173.13 3c2t s GLU 113 N 6.29 4.30 0.02 1.70 2.02 -0.12 -4.91 118.70 128.00 3c2t s GLU 113 Ca 0.59 0.42 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 3c2t s GLU 113 Cb -0.06 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 3c2t s GLU 113 CO 0.02 0.22 1.28 -0.65 0.02 0.00 0.00 175.26 176.15 3c2t s GLN 114 N 0.44 4.35 0.18 1.61 -0.21 -1.26 -1.58 119.66 123.19 3c2t s GLN 114 Ca 0.25 1.84 0.05 0.00 0.02 0.00 0.00 55.36 57.51 3c2t s GLN 114 Cb -0.15 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 3c2t s GLN 114 CO 0.10 -0.42 -0.08 0.96 -2.12 0.00 0.00 175.29 173.73 3c2t s ILE 115 N 1.76 1.22 -0.16 1.08 -4.36 -1.19 -4.94 121.20 114.61 3c2t s ILE 115 Ca 0.60 -2.07 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 3c2t s ILE 115 Cb -0.30 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 3c2t s ILE 115 CO 0.27 -0.60 -0.05 -0.69 0.24 0.00 0.00 174.94 174.10 3c2t s VAL 116 N -3.30 3.72 -0.70 8.37 1.01 -1.26 -4.45 120.40 123.80 3c2t s VAL 116 Ca 0.21 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3c2t s VAL 116 Cb 0.03 -2.63 0.23 0.00 0.00 0.00 0.00 36.38 34.02 3c2t s VAL 116 CO 0.04 0.49 0.74 1.07 0.00 0.00 0.00 175.10 177.43 3c2t n THR 117 N 3.66 2.42 -1.95 3.92 5.66 -1.26 -5.07 114.28 121.65 3c2t n THR 117 Ca -0.18 -5.18 -0.17 0.00 -3.05 0.00 0.00 64.05 55.47 3c2t n THR 117 Cb 0.52 -2.13 0.11 0.00 -1.55 0.00 0.00 70.33 67.28 3c2t n THR 117 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3c2t n PRO 118 N 1.20 -0.41 -2.48 1.09 -0.04 -1.26 -5.09 135.00 128.00 3c2t n PRO 118 Ca 0.27 -1.46 -0.23 0.00 -0.04 0.00 0.00 63.50 62.04 3c2t n PRO 118 Cb 0.39 -0.67 0.05 0.00 -0.04 0.00 0.00 33.50 33.23 3c2t n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3c2t s GLY 119 N -4.52 1.78 -0.10 0.55 0.00 -1.26 -5.07 107.32 98.70 3c2t s GLY 119 Ca 0.45 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.82 3c2t s GLY 119 CO 0.31 -0.88 0.28 0.14 0.00 0.00 0.00 173.10 172.96 3c2t s VAL 120 N -2.96 5.28 -0.27 1.40 1.01 -1.26 -5.06 120.40 118.53 3c2t s VAL 120 Ca 0.59 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 3c2t s VAL 120 Cb -0.10 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3c2t s VAL 120 CO 0.41 0.51 -0.02 0.00 0.00 0.00 0.00 175.10 176.00 3c2t s ALA 121 N -0.44 2.80 -0.22 5.51 0.00 -1.26 -5.09 121.76 123.06 3c2t s ALA 121 Ca 0.18 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 3c2t s ALA 121 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3c2t s ALA 121 CO 0.07 -0.94 0.41 0.08 0.00 0.00 0.00 175.76 175.38 3c2t s VAL 122 N 1.34 5.18 0.44 0.00 1.01 -1.26 -5.08 120.40 122.03 3c2t s VAL 122 Ca -0.01 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3c2t s VAL 122 Cb -0.17 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3c2t s VAL 122 CO -0.02 0.22 0.59 0.54 0.00 0.00 0.00 175.10 176.42 3c2t s VAL 123 N 1.52 2.88 0.00 2.92 0.11 -1.26 -4.54 120.40 122.03 3c2t s VAL 123 Ca 0.19 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3c2t s VAL 123 Cb -0.15 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 3c2t s VAL 123 CO 0.08 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.74 3c2t n LEU 124 N -1.88 -0.47 0.00 2.54 7.94 -1.26 -5.35 117.00 118.52 3c2t n LEU 124 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3c2t n LEU 124 Cb 0.59 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3c2t n LEU 124 CO 0.39 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 176.00