#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1t s SER 3 N 0.00 6.62 0.67 0.00 1.04 -1.26 -5.07 113.70 115.69 2r1t s SER 3 Ca 0.00 0.88 -0.14 0.00 0.48 0.00 0.00 55.95 57.17 2r1t s SER 3 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2r1t s SER 3 CO 0.00 -0.04 1.09 -0.54 0.98 0.00 0.00 173.24 174.73 2r1t s LYS 4 N -2.72 2.83 -0.00 4.02 -0.14 -1.26 -4.85 119.74 117.62 2r1t s LYS 4 Ca 0.46 1.29 0.08 0.00 -1.36 0.00 0.00 55.97 56.43 2r1t s LYS 4 Cb -0.12 -1.96 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2r1t s LYS 4 CO 0.21 -1.21 -0.25 1.03 -0.76 0.00 0.00 175.35 174.38 2r1t s ARG 5 N -4.28 1.91 -0.02 1.68 0.52 -1.26 -1.35 118.95 116.15 2r1t s ARG 5 Ca 0.65 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2r1t s ARG 5 Cb -0.19 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 2r1t s ARG 5 CO 0.44 0.52 -0.15 0.00 0.02 0.00 0.00 175.30 176.13 2r1t s ALA 6 N -0.64 1.25 -0.20 2.13 0.00 -0.35 -0.73 121.76 123.22 2r1t s ALA 6 Ca 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2r1t s ALA 6 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2r1t s ALA 6 CO -0.00 0.27 -0.06 -1.17 0.00 0.00 0.00 175.76 174.80 2r1t s LEU 7 N -0.17 2.86 -0.28 0.00 2.96 -0.38 -0.78 118.68 122.89 2r1t s LEU 7 Ca 0.02 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2r1t s LEU 7 Cb -0.08 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.94 2r1t s LEU 7 CO 0.00 0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.35 2r1t s VAL 8 N 1.20 3.04 -0.40 1.68 1.01 -0.39 0.63 120.40 127.18 2r1t s VAL 8 Ca 0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 2r1t s VAL 8 Cb -0.14 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2r1t s VAL 8 CO -0.02 0.02 0.84 -0.63 0.00 0.00 0.00 175.10 175.32 2r1t s ILE 9 N 1.30 4.64 -0.33 2.22 1.01 -1.02 -0.64 121.20 128.39 2r1t s ILE 9 Ca -0.02 0.85 -0.11 0.00 0.00 0.00 0.00 60.65 61.36 2r1t s ILE 9 Cb -0.18 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 2r1t s ILE 9 CO -0.02 -0.58 0.20 -0.22 0.00 0.00 0.00 174.94 174.32 2r1t s LEU 10 N 3.34 4.38 0.23 2.97 2.96 0.10 -4.41 118.68 128.25 2r1t s LEU 10 Ca 0.34 -0.53 0.11 0.00 -0.22 0.00 0.00 54.13 53.82 2r1t s LEU 10 Cb -0.12 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2r1t s LEU 10 CO 0.20 -0.24 -0.17 0.00 -1.32 0.00 0.00 176.35 174.82 2r1t s ALA 11 N 1.66 2.76 0.24 5.97 0.00 -1.26 -1.21 121.76 129.91 2r1t s ALA 11 Ca 0.05 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.01 2r1t s ALA 11 Cb -0.17 -0.44 -0.13 0.00 0.00 0.00 0.00 23.12 22.37 2r1t s ALA 11 CO 0.08 0.37 1.45 1.17 0.00 0.00 0.00 175.76 178.83 2r1t n LYS 12 N -0.20 2.14 -0.42 0.00 4.81 -1.26 -1.57 118.16 121.65 2r1t n LYS 12 Ca -0.09 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2r1t n LYS 12 Cb 0.57 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2r1t n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r1t n GLY 13 N 2.26 0.72 3.76 3.14 0.00 -0.89 -3.47 105.19 110.72 2r1t n GLY 13 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2r1t n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r1t s ALA 14 N -2.71 2.84 -0.34 4.61 0.00 -0.61 -2.65 121.76 122.91 2r1t s ALA 14 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 2r1t s ALA 14 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2r1t s ALA 14 CO 0.00 -0.90 1.34 -2.00 0.00 0.00 0.00 175.76 174.20 2r1t s GLU 15 N -2.90 3.80 0.43 0.00 -6.30 -0.68 -0.65 118.70 112.41 2r1t s GLU 15 Ca 0.68 1.14 0.14 0.00 -2.50 0.00 0.00 54.97 54.44 2r1t s GLU 15 Cb -0.31 -3.93 1.03 0.00 0.00 0.00 0.00 34.13 30.92 2r1t s GLU 15 CO 0.36 -1.27 1.97 1.05 0.02 0.00 0.00 175.26 177.40 2r1t h GLU 16 N 9.75 0.40 -0.25 4.30 9.09 -1.91 -2.08 114.58 133.89 2r1t h GLU 16 Ca -0.27 -0.02 -0.17 0.00 0.05 0.00 0.00 59.36 58.95 2r1t h GLU 16 Cb 1.10 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2r1t h GLU 16 CO 1.05 0.27 -0.54 0.52 0.05 0.00 0.00 179.01 180.36 2r1t h MET 17 N 0.41 0.74 0.00 1.06 2.86 -1.99 -0.26 114.93 117.76 2r1t h MET 17 Ca 0.29 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2r1t h MET 17 Cb 0.58 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2r1t h MET 17 CO -0.08 1.09 0.00 0.39 1.06 0.00 0.00 176.91 179.37 2r1t n GLU 18 N -3.99 0.15 -0.12 1.72 1.02 -0.83 -1.98 120.64 116.61 2r1t n GLU 18 Ca -0.04 0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 2r1t n GLU 18 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 2r1t n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2r1t n THR 19 N -1.40 1.52 -0.18 2.62 -1.04 -0.92 -4.43 114.28 110.46 2r1t n THR 19 Ca 0.08 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 61.76 2r1t n THR 19 Cb 0.22 -2.02 0.02 0.00 -1.82 0.00 0.00 70.33 66.73 2r1t n THR 19 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2r1t h VAL 20 N -1.00 1.27 -0.16 12.58 2.07 -1.08 -2.74 116.25 127.19 2r1t h VAL 20 Ca -0.50 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 2r1t h VAL 20 Cb 1.42 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2r1t h VAL 20 CO -0.30 0.45 0.08 0.40 0.02 0.00 0.00 177.57 178.23 2r1t h ILE 21 N 0.90 1.11 -0.52 4.57 2.04 -1.63 0.37 117.51 124.35 2r1t h ILE 21 Ca 0.14 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2r1t h ILE 21 Cb 0.70 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2r1t h ILE 21 CO 0.05 0.10 0.07 -0.65 0.00 0.00 0.00 178.15 177.72 2r1t h PRO 22 N 0.15 0.88 -0.34 2.37 0.11 -1.77 -0.68 132.00 132.71 2r1t h PRO 22 Ca 0.06 -0.24 0.02 0.00 0.11 0.00 0.00 66.00 65.94 2r1t h PRO 22 Cb 0.09 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2r1t h PRO 22 CO -0.01 0.87 0.18 0.28 -0.21 0.00 0.00 178.00 179.11 2r1t h VAL 23 N 0.76 1.01 0.53 3.15 2.07 -1.36 -0.01 116.25 122.40 2r1t h VAL 23 Ca 0.16 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2r1t h VAL 23 Cb 0.43 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2r1t h VAL 23 CO 0.01 0.07 -0.25 -0.78 0.02 0.00 0.00 177.57 176.64 2r1t h ASP 24 N 0.38 -0.60 -0.88 0.57 1.82 -0.79 -2.11 116.42 114.80 2r1t h ASP 24 Ca 0.14 -0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2r1t h ASP 24 Cb 0.03 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 2r1t h ASP 24 CO -0.08 -0.37 0.57 0.58 -1.61 0.00 0.00 179.24 178.33 2r1t h VAL 25 N -0.79 1.13 -0.60 2.25 2.07 -1.03 -1.23 116.25 118.05 2r1t h VAL 25 Ca -0.07 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2r1t h VAL 25 Cb 0.58 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2r1t h VAL 25 CO 0.12 0.20 0.04 0.24 0.02 0.00 0.00 177.57 178.19 2r1t h MET 26 N 1.10 1.01 -0.13 1.57 2.86 -0.96 -2.09 114.93 118.29 2r1t h MET 26 Ca 0.36 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 2r1t h MET 26 Cb 0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2r1t h MET 26 CO -0.12 0.97 -0.30 0.00 1.06 0.00 0.00 176.91 178.51 2r1t h ARG 27 N 0.94 0.24 0.00 1.72 3.08 -0.84 -0.44 114.38 119.08 2r1t h ARG 27 Ca 0.18 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2r1t h ARG 27 Cb 0.49 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2r1t h ARG 27 CO 0.02 0.53 -0.18 0.00 -1.07 0.00 0.00 179.97 179.27 2r1t h ARG 28 N 0.21 0.00 -0.06 0.04 3.08 -0.79 -1.79 114.38 115.08 2r1t h ARG 28 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2r1t h ARG 28 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2r1t h ARG 28 CO 0.05 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 2r1t n ALA 29 N -2.27 2.59 -0.96 0.04 0.00 -0.26 -4.89 120.51 114.77 2r1t n ALA 29 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2r1t n ALA 29 Cb 0.32 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2r1t n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1t n GLY 30 N 1.02 0.49 3.75 0.00 0.00 -0.67 -5.02 105.19 104.77 2r1t n GLY 30 Ca 0.18 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2r1t n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r1t s ILE 31 N -2.00 4.59 -0.59 -0.61 1.01 -0.72 -4.64 121.20 118.24 2r1t s ILE 31 Ca 0.00 1.69 -0.26 0.00 0.00 0.00 0.00 60.65 62.08 2r1t s ILE 31 Cb 0.00 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.37 2r1t s ILE 31 CO 0.00 0.41 1.09 -0.75 0.00 0.00 0.00 174.94 175.69 2r1t s LYS 32 N -0.41 3.39 -0.16 2.79 2.20 -0.46 -4.21 119.74 122.89 2r1t s LYS 32 Ca 0.38 -0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.84 2r1t s LYS 32 Cb -0.22 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 2r1t s LYS 32 CO 0.25 -1.65 0.18 0.08 -0.36 0.00 0.00 175.35 173.84 2r1t s VAL 33 N 4.59 5.40 -0.24 4.02 1.01 -1.26 -1.21 120.40 132.71 2r1t s VAL 33 Ca 0.36 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 2r1t s VAL 33 Cb -0.10 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2r1t s VAL 33 CO 0.21 0.49 -0.10 -0.89 0.00 0.00 0.00 175.10 174.82 2r1t s THR 34 N -0.13 2.56 -0.49 3.92 2.01 0.04 -4.96 115.64 118.59 2r1t s THR 34 Ca 0.12 -1.13 -0.21 0.00 0.31 0.00 0.00 61.69 60.78 2r1t s THR 34 Cb -0.12 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.13 2r1t s THR 34 CO 0.02 0.23 0.72 -0.69 -0.69 0.00 0.00 174.62 174.21 2r1t s VAL 35 N 1.27 4.72 -0.19 3.82 1.01 -1.26 -1.26 120.40 128.51 2r1t s VAL 35 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2r1t s VAL 35 Cb -0.17 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2r1t s VAL 35 CO -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 175.10 174.28 2r1t s ALA 36 N 3.07 3.28 -0.12 5.51 0.00 0.19 -0.20 121.76 133.49 2r1t s ALA 36 Ca 0.23 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 2r1t s ALA 36 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2r1t s ALA 36 CO 0.17 0.08 0.95 0.20 0.00 0.00 0.00 175.76 177.16 2r1t s GLY 37 N 0.57 2.28 0.12 0.00 0.00 0.04 0.03 107.32 110.36 2r1t s GLY 37 Ca 0.02 0.28 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 2r1t s GLY 37 CO 0.02 1.84 1.68 -2.00 0.00 0.00 0.00 173.10 174.63 2r1t h LEU 38 N 8.09 -0.39 -0.00 0.66 5.85 -1.51 -0.09 115.31 127.91 2r1t h LEU 38 Ca -0.31 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2r1t h LEU 38 Cb 1.14 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2r1t h LEU 38 CO 0.85 -0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.77 2r1t n ALA 39 N -2.46 2.22 0.00 1.25 0.00 -1.26 -4.63 120.51 115.63 2r1t n ALA 39 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2r1t n ALA 39 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2r1t n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1t n GLY 40 N 1.24 0.50 0.51 0.00 0.00 -0.96 -4.89 105.19 101.58 2r1t n GLY 40 Ca 0.06 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.63 2r1t n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2r1t n LYS 41 N 0.00 1.59 -1.96 1.61 2.85 -1.26 -3.67 118.16 117.32 2r1t n LYS 41 Ca 0.00 -1.02 -0.33 0.00 -1.05 0.00 0.00 58.31 55.92 2r1t n LYS 41 Cb 0.00 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 32.92 2r1t n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2r1t s ASP 42 N -2.11 5.58 0.43 -5.58 1.01 -1.26 -4.56 116.67 110.18 2r1t s ASP 42 Ca 0.33 1.87 -0.25 0.00 0.71 0.00 0.00 52.55 55.21 2r1t s ASP 42 Cb 0.20 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.50 2r1t s ASP 42 CO 0.37 -1.30 1.30 -0.81 0.21 0.00 0.00 175.17 174.94 2r1t n PRO 43 N -2.14 1.99 -4.24 8.23 -0.04 -1.26 -4.56 135.00 132.98 2r1t n PRO 43 Ca 0.09 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 63.92 2r1t n PRO 43 Cb 0.53 -2.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.44 2r1t n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2r1t s VAL 44 N -1.20 4.28 -0.53 0.52 1.01 0.80 -4.93 120.40 120.36 2r1t s VAL 44 Ca 0.61 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 2r1t s VAL 44 Cb -0.50 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.03 2r1t s VAL 44 CO 0.58 0.49 0.81 -1.58 0.00 0.00 0.00 175.10 175.40 2r1t s GLN 45 N 0.29 3.26 1.04 2.72 0.74 -1.26 -1.36 119.66 125.09 2r1t s GLN 45 Ca -0.00 -0.48 -0.15 0.00 0.05 0.00 0.00 55.36 54.78 2r1t s GLN 45 Cb -0.13 -4.06 0.21 0.00 1.10 0.00 0.00 33.01 30.13 2r1t s GLN 45 CO 0.02 -1.36 1.14 0.00 -0.55 0.00 0.00 175.29 174.54 2r1t h SER 47 N -2.00 0.59 -0.80 0.00 4.64 -0.99 -1.23 113.55 113.77 2r1t h SER 47 Ca -0.49 0.05 -0.50 0.00 -0.47 0.00 0.00 61.79 60.38 2r1t h SER 47 Cb 1.31 -0.06 -0.28 0.00 -0.31 0.00 0.00 62.40 63.06 2r1t h SER 47 CO 0.48 0.25 0.27 0.54 -0.87 0.00 0.00 176.83 177.51 2r1t n ARG 48 N -4.59 2.57 -0.93 4.77 3.00 -1.26 -4.93 116.66 115.29 2r1t n ARG 48 Ca 0.20 -3.38 0.00 0.00 -0.01 0.00 0.00 57.85 54.66 2r1t n ARG 48 Cb 0.59 -2.15 0.00 0.00 0.00 0.00 0.00 32.46 30.89 2r1t n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2r1t n ASP 49 N -0.98 -4.69 -4.70 0.55 8.00 -0.46 -4.97 116.55 109.30 2r1t n ASP 49 Ca 0.52 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.59 2r1t n ASP 49 Cb 1.02 -2.92 -0.03 0.00 -0.02 0.00 0.00 41.12 39.18 2r1t n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r1t s VAL 50 N -1.19 4.08 -0.30 2.53 1.01 -1.26 -4.72 120.40 120.54 2r1t s VAL 50 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 2r1t s VAL 50 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2r1t s VAL 50 CO 0.00 0.05 0.30 -0.69 0.00 0.00 0.00 175.10 174.76 2r1t s VAL 51 N 1.71 5.22 0.00 2.92 1.01 -1.26 -1.34 120.40 128.66 2r1t s VAL 51 Ca 0.58 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2r1t s VAL 51 Cb -0.28 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2r1t s VAL 51 CO 0.26 0.08 0.00 -0.38 0.00 0.00 0.00 175.10 175.06 2r1t n ILE 52 N 5.14 0.00 -4.12 2.22 5.41 -0.47 -4.91 119.36 122.63 2r1t n ILE 52 Ca -0.11 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.51 2r1t n ILE 52 Cb 0.51 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.33 2r1t n ILE 52 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2r1t s PRO 54 N 2.96 0.70 0.44 0.38 0.04 -1.26 -0.14 135.00 138.12 2r1t s PRO 54 Ca 0.00 -1.01 0.24 0.00 0.04 0.00 0.00 61.00 60.27 2r1t s PRO 54 Cb 0.00 -0.37 0.86 0.00 0.04 0.00 0.00 34.50 35.03 2r1t s PRO 54 CO 0.00 0.05 1.80 -0.44 0.04 0.00 0.00 177.00 178.45 2r1t h ASP 55 N 3.88 0.00 -5.56 6.66 3.32 -0.96 -3.47 116.42 120.30 2r1t h ASP 55 Ca -0.36 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.94 2r1t h ASP 55 Cb 1.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 2r1t h ASP 55 CO 0.49 0.20 0.66 0.00 -1.72 0.00 0.00 179.24 178.88 2r1t s ALA 56 N -3.55 -1.94 0.49 3.45 0.00 -1.11 -5.00 121.76 114.09 2r1t s ALA 56 Ca 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 2r1t s ALA 56 Cb 0.09 0.51 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 2r1t s ALA 56 CO 0.64 -1.05 0.97 -1.54 0.00 0.00 0.00 175.76 174.77 2r1t s SER 57 N -2.99 6.69 0.26 0.00 1.04 -1.26 -0.78 113.70 116.65 2r1t s SER 57 Ca 0.14 1.58 -0.04 0.00 0.48 0.00 0.00 55.95 58.11 2r1t s SER 57 Cb 0.02 -2.51 0.32 0.00 0.10 0.00 0.00 66.02 63.95 2r1t s SER 57 CO -0.01 -0.53 1.84 0.25 0.98 0.00 0.00 173.24 175.77 2r1t h LEU 58 N 1.15 0.93 -0.74 2.42 5.85 -1.26 -0.67 115.31 123.00 2r1t h LEU 58 Ca -0.47 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.24 2r1t h LEU 58 Cb 1.18 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2r1t h LEU 58 CO 0.61 0.83 0.35 -0.08 -0.34 0.00 0.00 178.44 179.81 2r1t h GLU 59 N 1.00 0.53 0.23 1.25 4.81 -1.88 0.25 114.58 120.77 2r1t h GLU 59 Ca 0.23 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 59.10 2r1t h GLU 59 Cb 0.18 -0.12 0.04 0.00 0.63 0.00 0.00 28.75 29.48 2r1t h GLU 59 CO -0.02 0.35 -1.43 -0.44 -0.73 0.00 0.00 179.01 176.74 2r1t h ASP 60 N 0.55 0.86 -0.38 1.04 3.32 -1.86 -3.29 116.42 116.65 2r1t h ASP 60 Ca 0.39 -0.89 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2r1t h ASP 60 Cb 0.50 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2r1t h ASP 60 CO -0.33 1.69 0.22 0.00 -1.72 0.00 0.00 179.24 179.10 2r1t h ALA 61 N 0.19 1.62 0.00 3.45 0.00 -0.64 -0.80 119.26 123.08 2r1t h ALA 61 Ca -0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2r1t h ALA 61 Cb 2.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 2r1t h ALA 61 CO 0.27 0.32 -0.06 -0.22 0.00 0.00 0.00 179.25 179.56 2r1t h LYS 62 N 0.56 0.00 0.00 0.00 3.64 -0.59 -1.43 116.57 118.75 2r1t h LYS 62 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2r1t h LYS 62 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2r1t h LYS 62 CO -0.02 0.06 -0.29 0.87 -2.27 0.00 0.00 179.45 177.79 2r1t h LYS 63 N 0.00 0.00 -0.50 1.90 1.57 -1.24 -3.23 116.57 115.07 2r1t h LYS 63 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r1t h LYS 63 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2r1t h LYS 63 CO 0.01 0.14 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 2r1t n GLU 64 N -3.08 2.23 -1.08 3.15 -0.58 -0.54 -4.94 120.64 115.80 2r1t n GLU 64 Ca 0.03 -1.69 -0.27 0.00 -0.42 0.00 0.00 57.16 54.80 2r1t n GLU 64 Cb 0.60 -1.43 0.22 0.00 -0.57 0.00 0.00 31.44 30.25 2r1t n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r1t n GLY 65 N 1.13 -2.51 3.92 0.62 0.00 -1.21 -4.86 105.19 102.27 2r1t n GLY 65 Ca 0.16 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 2r1t n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2r1t s PRO 66 N -5.31 2.46 0.14 1.61 0.04 -1.26 -5.13 135.00 127.55 2r1t s PRO 66 Ca 0.65 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.75 2r1t s PRO 66 Cb -0.05 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2r1t s PRO 66 CO 0.49 -1.11 -0.16 0.71 0.04 0.00 0.00 177.00 176.97 2r1t s TYR 67 N -3.24 2.54 -0.30 0.56 1.51 -1.26 -4.95 117.35 112.21 2r1t s TYR 67 Ca 0.58 -0.26 0.28 0.00 -1.01 0.00 0.00 57.07 56.66 2r1t s TYR 67 Cb -0.11 -1.30 0.98 0.00 -0.11 0.00 0.00 41.96 41.42 2r1t s TYR 67 CO 0.46 0.44 1.80 -0.44 -1.11 0.00 0.00 175.55 176.71 2r1t h ASP 68 N 3.42 0.00 -3.96 2.29 5.19 -1.30 -3.44 116.42 118.61 2r1t h ASP 68 Ca -0.48 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.88 2r1t h ASP 68 Cb 1.18 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.48 2r1t h ASP 68 CO 0.49 0.00 0.09 0.54 -3.12 0.00 0.00 179.24 177.24 2r1t s VAL 69 N -3.39 -0.00 -0.16 -1.35 0.11 -1.17 -3.11 120.40 111.33 2r1t s VAL 69 Ca 0.05 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2r1t s VAL 69 Cb 0.09 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2r1t s VAL 69 CO 0.53 0.00 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.50 2r1t s VAL 70 N 0.40 3.12 -0.15 2.04 1.01 -0.92 -1.25 120.40 124.65 2r1t s VAL 70 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2r1t s VAL 70 Cb -0.05 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2r1t s VAL 70 CO 0.00 0.50 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 2r1t s VAL 71 N 0.72 3.60 -0.35 2.92 1.01 0.21 -0.91 120.40 127.59 2r1t s VAL 71 Ca -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2r1t s VAL 71 Cb -0.15 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.74 2r1t s VAL 71 CO 0.02 0.50 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 2r1t s LEU 72 N 0.42 4.49 0.99 3.92 1.43 0.87 -2.42 118.68 128.39 2r1t s LEU 72 Ca -0.06 -1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 51.38 2r1t s LEU 72 Cb -0.15 -1.79 0.18 0.00 0.03 0.00 0.00 46.19 44.47 2r1t s LEU 72 CO 0.04 -0.38 1.08 -2.84 0.23 0.00 0.00 176.35 174.48 2r1t s PRO 73 N 1.24 0.50 0.00 1.29 0.02 -1.26 -2.11 135.00 134.67 2r1t s PRO 73 Ca 0.01 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.75 2r1t s PRO 73 Cb -0.21 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2r1t s PRO 73 CO -0.02 -2.74 0.00 0.41 -0.33 0.00 0.00 177.00 174.33 2r1t n GLY 74 N -0.71 1.40 0.00 0.52 0.00 -1.09 -4.03 105.19 101.28 2r1t n GLY 74 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2r1t n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1t n GLY 75 N 5.00 1.47 0.45 -0.02 0.00 -1.26 -1.69 105.19 109.14 2r1t n GLY 75 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 2r1t n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2r1t h ASN 76 N 0.00 -1.82 0.33 1.61 2.35 -1.96 0.31 115.58 116.41 2r1t h ASN 76 Ca 0.00 0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 2r1t h ASN 76 Cb 0.00 0.74 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2r1t h ASN 76 CO 0.00 -0.41 -0.46 -0.07 -1.65 0.00 0.00 177.43 174.84 2r1t h LEU 77 N -0.41 0.17 -0.23 1.61 3.38 -1.90 -2.28 115.31 115.64 2r1t h LEU 77 Ca 0.07 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2r1t h LEU 77 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2r1t h LEU 77 CO -0.57 0.61 -0.07 1.23 0.09 0.00 0.00 178.44 179.73 2r1t h GLY 78 N 1.33 0.49 1.65 0.83 0.00 -1.18 -2.02 103.07 104.18 2r1t h GLY 78 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2r1t h GLY 78 CO 0.07 0.38 0.07 0.00 0.00 0.00 0.00 176.54 177.06 2r1t h ALA 79 N 0.74 1.55 -0.54 3.60 0.00 -0.29 -1.41 119.26 122.91 2r1t h ALA 79 Ca 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2r1t h ALA 79 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2r1t h ALA 79 CO 0.03 0.34 0.04 0.37 0.00 0.00 0.00 179.25 180.03 2r1t h GLN 80 N 0.45 0.93 -0.68 0.00 4.15 -1.22 0.32 115.11 119.07 2r1t h GLN 80 Ca 0.11 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 2r1t h GLN 80 Cb 0.18 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2r1t h GLN 80 CO -0.00 0.92 0.11 -0.91 -1.93 0.00 0.00 178.83 177.02 2r1t h ASN 81 N 0.81 1.07 -0.57 -0.69 2.35 -0.59 -1.90 115.58 116.06 2r1t h ASN 81 Ca 0.16 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 2r1t h ASN 81 Cb 0.48 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2r1t h ASN 81 CO 0.02 1.06 0.05 -0.07 -1.65 0.00 0.00 177.43 176.83 2r1t h LEU 82 N 1.04 0.95 -1.62 1.61 3.38 -1.02 -2.72 115.31 116.93 2r1t h LEU 82 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2r1t h LEU 82 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2r1t h LEU 82 CO 0.01 1.00 -0.15 0.28 0.09 0.00 0.00 178.44 179.67 2r1t h SER 83 N 0.87 0.05 0.11 -0.43 0.02 -0.64 -2.67 113.55 110.86 2r1t h SER 83 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2r1t h SER 83 Cb 0.48 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2r1t h SER 83 CO 0.02 0.21 -0.16 -0.62 -1.14 0.00 0.00 176.83 175.13 2r1t n GLU 84 N -4.33 1.26 -3.00 3.45 1.02 -0.74 -4.78 120.64 113.52 2r1t n GLU 84 Ca -0.02 -0.80 -0.41 0.00 -0.02 0.00 0.00 57.16 55.92 2r1t n GLU 84 Cb 0.23 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 2r1t n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2r1t s SER 85 N -2.28 6.78 0.31 1.62 0.15 -1.01 -4.93 113.70 114.33 2r1t s SER 85 Ca 0.29 0.96 0.10 0.00 0.70 0.00 0.00 55.95 58.00 2r1t s SER 85 Cb 0.20 -2.40 0.49 0.00 -1.71 0.00 0.00 66.02 62.60 2r1t s SER 85 CO 0.44 -0.38 1.70 0.00 1.20 0.00 0.00 173.24 176.20 2r1t h ALA 86 N 7.54 1.13 -0.37 5.45 0.00 -1.90 -2.15 119.26 128.97 2r1t h ALA 86 Ca -0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 2r1t h ALA 86 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2r1t h ALA 86 CO 0.81 0.63 0.08 0.00 0.00 0.00 0.00 179.25 180.78 2r1t h ALA 87 N 1.45 0.49 -0.73 0.00 0.00 -1.95 -2.25 119.26 116.27 2r1t h ALA 87 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2r1t h ALA 87 Cb 0.90 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2r1t h ALA 87 CO 0.07 0.17 0.34 0.28 0.00 0.00 0.00 179.25 180.10 2r1t h VAL 88 N 0.45 1.24 -0.34 0.00 2.07 -1.81 -1.88 116.25 115.98 2r1t h VAL 88 Ca 0.12 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2r1t h VAL 88 Cb 0.32 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2r1t h VAL 88 CO 0.00 0.29 0.07 0.50 0.02 0.00 0.00 177.57 178.45 2r1t h LYS 89 N 1.03 0.19 -0.55 1.57 3.64 -1.13 -0.96 116.57 120.35 2r1t h LYS 89 Ca 0.25 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2r1t h LYS 89 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2r1t h LYS 89 CO -0.03 0.13 0.20 1.49 -2.27 0.00 0.00 179.45 178.96 2r1t h GLU 90 N 0.20 0.84 -0.52 1.90 4.57 -1.16 -0.78 114.58 119.63 2r1t h GLU 90 Ca 0.16 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2r1t h GLU 90 Cb 0.17 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2r1t h GLU 90 CO -0.21 0.75 0.32 0.82 -1.18 0.00 0.00 179.01 179.51 2r1t h ILE 91 N 0.76 1.15 -0.36 2.32 2.04 -0.96 -0.41 117.51 122.05 2r1t h ILE 91 Ca 0.18 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 2r1t h ILE 91 Cb 0.24 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2r1t h ILE 91 CO -0.01 0.16 -0.28 -0.07 0.00 0.00 0.00 178.15 177.94 2r1t h LEU 92 N 0.69 0.88 -0.47 1.44 3.38 -1.04 -0.51 115.31 119.67 2r1t h LEU 92 Ca 0.19 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2r1t h LEU 92 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2r1t h LEU 92 CO -0.04 1.14 0.29 0.11 0.09 0.00 0.00 178.44 180.03 2r1t h LYS 93 N 0.62 0.63 -0.48 1.13 1.57 -0.96 0.19 116.57 119.29 2r1t h LYS 93 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2r1t h LYS 93 Cb 0.86 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2r1t h LYS 93 CO 0.07 0.45 0.23 0.93 -0.57 0.00 0.00 179.45 180.57 2r1t h GLU 94 N 0.63 0.69 -0.68 3.15 5.08 -0.97 0.84 114.58 123.32 2r1t h GLU 94 Ca 0.17 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2r1t h GLU 94 Cb -0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2r1t h GLU 94 CO -0.03 0.59 0.28 0.37 -1.00 0.00 0.00 179.01 179.21 2r1t h GLN 95 N 0.63 1.01 -0.42 2.33 5.75 -0.68 -0.76 115.11 122.97 2r1t h GLN 95 Ca 0.16 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2r1t h GLN 95 Cb 0.12 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 2r1t h GLN 95 CO -0.02 0.83 0.11 1.49 -2.65 0.00 0.00 178.83 178.59 2r1t h GLU 96 N 0.96 0.68 -0.15 1.69 4.81 -0.33 0.19 114.58 122.42 2r1t h GLU 96 Ca 0.23 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2r1t h GLU 96 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2r1t h GLU 96 CO -0.02 0.69 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.85 2r1t h ASN 97 N 0.55 0.25 0.22 1.04 -0.26 -0.53 -2.02 115.58 114.82 2r1t h ASN 97 Ca 0.13 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2r1t h ASN 97 Cb 0.31 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2r1t h ASN 97 CO 0.00 0.45 -0.09 0.54 -1.06 0.00 0.00 177.43 177.27 2r1t n ARG 98 N -4.22 0.94 -3.16 0.81 1.74 -0.32 -4.93 116.66 107.53 2r1t n ARG 98 Ca -0.01 -0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 56.55 2r1t n ARG 98 Cb 0.31 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.31 2r1t n ARG 98 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2r1t n LYS 99 N -0.70 -4.84 -3.75 5.56 4.01 -0.76 -5.03 118.16 112.65 2r1t n LYS 99 Ca 0.16 0.50 -0.26 0.00 -0.51 0.00 0.00 58.31 58.21 2r1t n LYS 99 Cb 0.28 -4.56 -0.03 0.00 -0.51 0.00 0.00 35.03 30.21 2r1t n LYS 99 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2r1t s GLY 100 N -3.22 1.61 0.37 0.72 0.00 0.59 -5.03 107.32 102.37 2r1t s GLY 100 Ca 0.35 -0.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 2r1t s GLY 100 CO 0.44 -0.93 1.23 -2.27 0.00 0.00 0.00 173.10 171.58 2r1t s LEU 101 N -3.55 4.29 -0.07 0.66 2.96 -1.18 -4.57 118.68 117.21 2r1t s LEU 101 Ca 0.37 2.50 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 2r1t s LEU 101 Cb -0.10 -3.87 0.02 0.00 0.50 0.00 0.00 46.19 42.74 2r1t s LEU 101 CO 0.30 -0.64 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.95 2r1t s ILE 102 N -1.28 1.03 -0.09 6.68 1.01 -0.34 -2.16 121.20 126.04 2r1t s ILE 102 Ca 0.54 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2r1t s ILE 102 Cb -0.35 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.16 2r1t s ILE 102 CO 0.45 0.34 -0.13 0.00 0.00 0.00 0.00 174.94 175.60 2r1t s ALA 103 N 0.96 1.46 -0.01 9.38 0.00 -0.09 -0.98 121.76 132.49 2r1t s ALA 103 Ca -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2r1t s ALA 103 Cb -0.15 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 2r1t s ALA 103 CO 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 175.76 175.69 2r1t s ALA 104 N 0.90 0.50 0.08 0.00 0.00 0.06 -0.09 121.76 123.21 2r1t s ALA 104 Ca -0.09 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2r1t s ALA 104 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2r1t s ALA 104 CO 0.01 0.11 -0.22 -1.50 0.00 0.00 0.00 175.76 174.15 2r1t s ILE 105 N -0.05 1.81 0.00 0.00 2.07 -0.90 -1.98 121.20 122.15 2r1t s ILE 105 Ca 0.01 -1.43 0.00 0.00 -1.41 0.00 0.00 60.65 57.83 2r1t s ILE 105 Cb -0.03 -1.60 0.00 0.00 0.13 0.00 0.00 42.46 40.96 2r1t s ILE 105 CO -0.00 0.10 0.00 0.00 -1.91 0.00 0.00 174.94 173.13 2r1t n ALA 106 N 1.42 0.00 0.62 1.50 0.00 -0.29 -0.86 120.51 122.90 2r1t n ALA 106 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2r1t n ALA 106 Cb 0.53 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.22 2r1t n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r1t n ALA 107 N 9.68 2.79 -0.34 0.00 0.00 -1.26 -1.68 120.51 129.70 2r1t n ALA 107 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.40 2r1t n ALA 107 Cb 0.00 -1.25 0.35 0.00 0.00 0.00 0.00 19.45 18.56 2r1t n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2r1t h GLY 108 N 4.55 1.81 1.85 0.00 0.00 -1.14 -1.14 103.07 109.00 2r1t h GLY 108 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2r1t h GLY 108 CO 0.00 -0.20 0.06 -2.55 0.00 0.00 0.00 176.54 173.86 2r1t h PRO 109 N 0.60 0.00 0.00 4.80 0.11 -1.76 -1.19 132.00 134.56 2r1t h PRO 109 Ca 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.72 2r1t h PRO 109 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2r1t h PRO 109 CO -0.46 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 179.12 2r1t h THR 110 N 0.00 0.05 0.00 -1.15 1.35 -1.51 0.24 112.91 111.89 2r1t h THR 110 Ca 0.02 -0.13 -0.05 0.00 -0.55 0.00 0.00 66.41 65.70 2r1t h THR 110 Cb 0.15 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 2r1t h THR 110 CO -0.00 0.01 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 2r1t h ALA 111 N 1.99 0.97 -0.26 6.62 0.00 -1.38 -2.11 119.26 125.09 2r1t h ALA 111 Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2r1t h ALA 111 Cb 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2r1t h ALA 111 CO 0.00 0.30 -0.52 -0.07 0.00 0.00 0.00 179.25 178.97 2r1t h LEU 112 N 0.00 0.84 -0.18 0.00 3.38 -0.66 -2.58 115.31 116.10 2r1t h LEU 112 Ca -0.00 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2r1t h LEU 112 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2r1t h LEU 112 CO 0.03 1.20 0.00 0.25 0.09 0.00 0.00 178.44 180.01 2r1t h LEU 113 N 0.59 0.31 -1.62 1.67 5.85 -1.38 0.26 115.31 120.99 2r1t h LEU 113 Ca 0.02 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.53 2r1t h LEU 113 Cb 1.10 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2r1t h LEU 113 CO 0.11 0.55 0.42 0.00 -0.34 0.00 0.00 178.44 179.17 2r1t h ALA 114 N 0.78 2.01 -0.56 1.25 0.00 -1.34 -1.47 119.26 119.93 2r1t h ALA 114 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2r1t h ALA 114 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2r1t h ALA 114 CO 0.01 -0.15 0.00 0.72 0.00 0.00 0.00 179.25 179.83 2r1t n HIS 115 N -4.47 1.23 -3.86 0.00 8.25 -0.98 -4.98 115.22 110.41 2r1t n HIS 115 Ca 0.10 -0.62 -0.25 0.00 -0.26 0.00 0.00 57.72 56.69 2r1t n HIS 115 Cb 0.38 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 2r1t n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2r1t n GLU 116 N 0.85 -3.39 -3.91 -0.41 1.02 -0.55 -4.93 120.64 109.32 2r1t n GLU 116 Ca 0.23 0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 57.48 2r1t n GLU 116 Cb 0.81 -4.62 -0.09 0.00 -0.02 0.00 0.00 31.44 27.52 2r1t n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2r1t s ILE 117 N -3.83 5.08 -1.50 -3.67 -1.09 0.83 -4.61 121.20 112.40 2r1t s ILE 117 Ca 0.06 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2r1t s ILE 117 Cb -0.02 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2r1t s ILE 117 CO 0.87 0.48 0.43 0.61 -1.23 0.00 0.00 174.94 176.10 2r1t n GLY 118 N 3.23 -0.51 3.67 6.18 0.00 -1.26 -4.67 105.19 111.82 2r1t n GLY 118 Ca -0.17 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2r1t n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2r1t n PHE 119 N -4.22 2.02 0.00 1.61 0.99 -1.26 -1.76 117.46 114.83 2r1t n PHE 119 Ca -0.12 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 2r1t n PHE 119 Cb 0.62 -2.38 0.00 0.00 -1.00 0.00 0.00 39.48 36.72 2r1t n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2r1t n GLY 120 N 1.03 2.79 3.77 1.37 0.00 0.99 -5.02 105.19 110.11 2r1t n GLY 120 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2r1t n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r1t s SER 121 N -1.25 5.41 -0.15 1.61 0.01 -0.72 -4.63 113.70 113.97 2r1t s SER 121 Ca 0.00 2.17 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 2r1t s SER 121 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2r1t s SER 121 CO 0.00 -1.43 0.65 -0.75 0.41 0.00 0.00 173.24 172.12 2r1t s LYS 122 N -3.54 4.30 0.19 12.44 2.20 -1.26 -2.12 119.74 131.96 2r1t s LYS 122 Ca 0.72 0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2r1t s LYS 122 Cb -0.24 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2r1t s LYS 122 CO 0.33 -0.11 0.08 0.14 -0.36 0.00 0.00 175.35 175.43 2r1t s VAL 123 N 1.46 0.26 0.20 4.02 -7.23 -0.15 -4.41 120.40 114.55 2r1t s VAL 123 Ca 0.32 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2r1t s VAL 123 Cb -0.16 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2r1t s VAL 123 CO 0.13 -0.19 0.02 0.28 -0.31 0.00 0.00 175.10 175.03 2r1t s THR 124 N -3.96 0.69 0.36 5.32 -1.32 -1.26 -0.10 115.64 115.37 2r1t s THR 124 Ca 0.33 -1.99 -0.09 0.00 -1.21 0.00 0.00 61.69 58.72 2r1t s THR 124 Cb 0.07 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.82 2r1t s THR 124 CO 0.09 -0.34 0.64 0.35 -2.21 0.00 0.00 174.62 173.15 2r1t n THR 125 N -0.32 0.00 -2.18 5.08 -2.24 -1.26 -4.37 114.28 108.99 2r1t n THR 125 Ca -0.05 -1.24 -0.37 0.00 -2.27 0.00 0.00 64.05 60.12 2r1t n THR 125 Cb 0.64 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2r1t n THR 125 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2r1t s HIS 126 N -2.72 2.79 0.39 4.78 2.46 -0.68 -4.50 115.29 117.81 2r1t s HIS 126 Ca 0.20 1.51 0.16 0.00 0.47 0.00 0.00 55.06 57.40 2r1t s HIS 126 Cb -0.03 -3.45 1.03 0.00 -0.13 0.00 0.00 32.58 29.99 2r1t s HIS 126 CO 0.15 -1.72 1.80 -1.35 -2.47 0.00 0.00 174.74 171.14 2r1t h PRO 127 N 1.99 0.46 0.00 2.88 0.11 -1.93 0.88 132.00 136.39 2r1t h PRO 127 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2r1t h PRO 127 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2r1t h PRO 127 CO 0.60 0.30 0.00 1.28 -0.21 0.00 0.00 178.00 179.97 2r1t n LEU 128 N -4.61 0.00 -0.36 2.35 4.77 -1.26 -2.89 117.00 115.00 2r1t n LEU 128 Ca 0.23 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2r1t n LEU 128 Cb 0.76 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2r1t n LEU 128 CO 0.27 -0.03 0.30 0.00 -1.33 0.00 0.00 177.39 176.60 2r1t n ALA 129 N -1.20 2.83 -0.04 -1.18 0.00 0.29 -4.68 120.51 116.53 2r1t n ALA 129 Ca 0.15 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 2r1t n ALA 129 Cb 0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 2r1t n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2r1t h LYS 130 N 1.75 -0.05 -0.38 0.00 3.64 -1.39 -1.51 116.57 118.64 2r1t h LYS 130 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2r1t h LYS 130 Cb 0.46 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2r1t h LYS 130 CO 0.00 -0.03 0.14 -0.44 -2.27 0.00 0.00 179.45 176.85 2r1t h ASP 131 N -0.05 0.17 -0.50 4.20 3.45 -1.83 0.60 116.42 122.45 2r1t h ASP 131 Ca 0.11 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.61 2r1t h ASP 131 Cb 0.21 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 2r1t h ASP 131 CO -0.24 0.13 0.32 0.50 -1.57 0.00 0.00 179.24 178.39 2r1t h LYS 132 N 0.31 0.64 -0.26 3.56 3.64 -1.82 -2.32 116.57 120.31 2r1t h LYS 132 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2r1t h LYS 132 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2r1t h LYS 132 CO -0.17 0.42 -0.13 1.98 -2.27 0.00 0.00 179.45 179.28 2r1t h MET 133 N 0.66 0.43 -0.21 1.90 4.05 -0.76 -3.02 114.93 117.97 2r1t h MET 133 Ca 0.19 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2r1t h MET 133 Cb -0.05 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2r1t h MET 133 CO -0.05 0.56 0.00 -1.33 0.23 0.00 0.00 176.91 176.32 2r1t n MET 134 N -4.21 1.83 -1.75 0.39 2.81 0.16 -4.73 117.12 111.62 2r1t n MET 134 Ca 0.00 -1.26 -0.42 0.00 -1.81 0.00 0.00 57.70 54.21 2r1t n MET 134 Cb 0.32 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 2r1t n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2r1t s ASN 135 N -1.52 5.54 0.00 7.83 3.04 -0.91 -0.76 114.94 128.17 2r1t s ASN 135 Ca 0.32 1.60 0.00 0.00 0.04 0.00 0.00 52.86 54.82 2r1t s ASN 135 Cb 0.18 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 2r1t s ASN 135 CO 0.26 -1.94 0.00 0.61 -3.04 0.00 0.00 177.10 172.99 2r1t n GLY 136 N 5.66 1.27 3.08 1.21 0.00 -1.26 -4.56 105.19 110.58 2r1t n GLY 136 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 2r1t n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1t n GLY 137 N -1.62 -0.30 0.02 -0.02 0.00 0.06 -4.91 105.19 98.43 2r1t n GLY 137 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2r1t n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2r1t n HIS 138 N -4.48 0.00 -4.32 1.61 8.25 -1.26 -4.84 115.22 110.17 2r1t n HIS 138 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 2r1t n HIS 138 Cb 0.57 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 2r1t n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2r1t s TYR 139 N -2.85 1.53 -0.15 4.41 2.02 -1.26 -0.01 117.35 121.04 2r1t s TYR 139 Ca 0.18 -1.12 -0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2r1t s TYR 139 Cb 0.19 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 2r1t s TYR 139 CO 0.54 -0.27 -0.13 0.99 -1.57 0.00 0.00 175.55 175.11 2r1t s THR 140 N -3.68 2.89 0.32 -0.71 2.01 -0.90 -4.96 115.64 110.61 2r1t s THR 140 Ca 0.35 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 2r1t s THR 140 Cb 0.07 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.26 2r1t s THR 140 CO 0.12 0.51 0.91 -0.47 -0.69 0.00 0.00 174.62 175.00 2r1t s TYR 141 N 0.72 3.66 0.05 4.92 6.14 -1.26 -0.98 117.35 130.61 2r1t s TYR 141 Ca -0.06 1.71 0.05 0.00 0.64 0.00 0.00 57.07 59.41 2r1t s TYR 141 Cb -0.15 -2.87 -0.03 0.00 0.42 0.00 0.00 41.96 39.33 2r1t s TYR 141 CO 0.02 0.21 -0.14 0.45 0.64 0.00 0.00 175.55 176.72 2r1t s SER 142 N -1.66 1.65 0.00 4.32 0.15 0.86 -4.85 113.70 114.16 2r1t s SER 142 Ca 0.50 -0.53 0.24 0.00 0.70 0.00 0.00 55.95 56.86 2r1t s SER 142 Cb -0.18 -0.08 0.29 0.00 -1.71 0.00 0.00 66.02 64.34 2r1t s SER 142 CO 0.23 -0.02 1.28 -0.62 1.20 0.00 0.00 173.24 175.30 2r1t n GLU 143 N 1.61 1.34 -1.75 5.44 -0.58 -1.26 -4.41 120.64 121.02 2r1t n GLU 143 Ca -0.20 -1.03 -0.41 0.00 -0.42 0.00 0.00 57.16 55.11 2r1t n GLU 143 Cb 0.54 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.94 2r1t n GLU 143 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2r1t n ASN 144 N 0.07 3.30 0.05 1.62 5.03 -1.26 -4.89 115.26 119.18 2r1t n ASN 144 Ca 0.11 1.16 0.03 0.00 0.87 0.00 0.00 54.58 56.76 2r1t n ASN 144 Cb 0.45 -1.58 0.41 0.00 -1.02 0.00 0.00 39.78 38.04 2r1t n ASN 144 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2r1t h ARG 145 N 2.49 0.41 -3.83 3.52 3.08 -1.95 -3.40 114.38 114.71 2r1t h ARG 145 Ca -0.50 -0.05 -0.38 0.00 0.07 0.00 0.00 59.98 59.12 2r1t h ARG 145 Cb 1.27 -0.08 -0.35 0.00 0.08 0.00 0.00 29.97 30.89 2r1t h ARG 145 CO 0.62 0.37 -0.76 0.08 -1.07 0.00 0.00 179.97 179.21 2r1t s VAL 146 N -5.16 0.33 -0.08 2.04 1.01 -1.26 -3.00 120.40 114.28 2r1t s VAL 146 Ca -0.07 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2r1t s VAL 146 Cb 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2r1t s VAL 146 CO 0.73 0.19 -0.21 -0.70 0.00 0.00 0.00 175.10 175.11 2r1t s GLU 147 N 1.11 2.62 -0.19 2.72 2.56 0.14 -5.00 118.70 122.67 2r1t s GLU 147 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 54.97 54.11 2r1t s GLU 147 Cb -0.14 -2.04 0.05 0.00 2.00 0.00 0.00 34.13 34.00 2r1t s GLU 147 CO -0.01 0.17 -0.01 0.21 -0.56 0.00 0.00 175.26 175.06 2r1t s LYS 148 N 0.34 1.09 -0.43 4.30 2.20 -1.26 -0.33 119.74 125.65 2r1t s LYS 148 Ca -0.15 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 54.92 2r1t s LYS 148 Cb -0.17 -2.15 0.12 0.00 -1.51 0.00 0.00 37.83 34.12 2r1t s LYS 148 CO 0.07 -0.56 0.16 0.34 -0.36 0.00 0.00 175.35 175.00 2r1t s ASP 149 N 1.69 4.68 1.69 1.43 -1.08 -0.39 -5.00 116.67 119.69 2r1t s ASP 149 Ca -0.02 -2.50 0.00 0.00 -0.52 0.00 0.00 52.55 49.51 2r1t s ASP 149 Cb -0.17 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 2r1t s ASP 149 CO -0.07 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 175.89 2r1t n GLY 150 N 3.82 3.62 1.10 2.66 0.00 -1.26 -2.08 105.19 113.05 2r1t n GLY 150 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2r1t n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r1t n LEU 151 N 0.00 3.19 -4.15 0.99 4.77 -1.26 -4.78 117.00 115.76 2r1t n LEU 151 Ca 0.00 -1.61 -0.34 0.00 -0.03 0.00 0.00 56.01 54.03 2r1t n LEU 151 Cb 0.00 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2r1t n LEU 151 CO 0.00 0.64 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.70 2r1t s ILE 152 N -1.56 2.81 -0.18 -0.08 -1.09 -0.88 -1.20 121.20 119.02 2r1t s ILE 152 Ca 0.36 -1.44 -0.02 0.00 -2.23 0.00 0.00 60.65 57.32 2r1t s ILE 152 Cb 0.21 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 2r1t s ILE 152 CO 0.20 -0.09 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.51 2r1t s LEU 153 N 1.22 2.77 0.18 2.97 2.96 -0.15 -1.26 118.68 127.37 2r1t s LEU 153 Ca -0.06 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2r1t s LEU 153 Cb -0.20 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2r1t s LEU 153 CO -0.02 0.06 -0.13 0.42 -1.32 0.00 0.00 176.35 175.36 2r1t s THR 154 N 1.01 1.50 0.25 3.68 -4.23 0.55 -0.76 115.64 117.64 2r1t s THR 154 Ca -0.01 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.31 2r1t s THR 154 Cb -0.15 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 2r1t s THR 154 CO -0.01 -0.66 0.31 -0.55 -0.54 0.00 0.00 174.62 173.18 2r1t s SER 155 N -3.24 0.32 -0.16 3.99 0.15 -0.84 -0.68 113.70 113.23 2r1t s SER 155 Ca 0.20 -1.28 0.08 0.00 0.70 0.00 0.00 55.95 55.65 2r1t s SER 155 Cb 0.01 0.51 -0.23 0.00 -1.71 0.00 0.00 66.02 64.60 2r1t s SER 155 CO 0.04 -1.03 0.19 0.54 1.20 0.00 0.00 173.24 174.18 2r1t n ARG 156 N -0.38 0.68 -1.94 5.44 1.74 -1.16 -1.14 116.66 119.90 2r1t n ARG 156 Ca 0.01 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2r1t n ARG 156 Cb 0.64 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2r1t n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r1t n GLY 157 N 1.87 0.67 0.32 -0.13 0.00 -1.26 -2.78 105.19 103.88 2r1t n GLY 157 Ca -0.32 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 44.94 2r1t n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2r1t h PRO 158 N 0.00 0.63 0.00 1.61 0.11 -1.99 0.48 132.00 132.84 2r1t h PRO 158 Ca -0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2r1t h PRO 158 Cb 0.07 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2r1t h PRO 158 CO 0.02 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 2r1t n GLY 159 N -1.33 -0.90 0.33 -0.55 0.00 -1.26 -2.02 105.19 99.47 2r1t n GLY 159 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2r1t n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r1t n THR 160 N -1.42 0.74 -0.31 2.61 -2.24 0.12 -4.72 114.28 109.05 2r1t n THR 160 Ca 0.05 -0.87 -0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2r1t n THR 160 Cb 0.14 0.67 0.18 0.00 -2.10 0.00 0.00 70.33 69.22 2r1t n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2r1t h SER 161 N 1.17 1.02 -0.29 3.42 0.02 -0.99 -0.46 113.55 117.45 2r1t h SER 161 Ca 0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2r1t h SER 161 Cb 0.53 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2r1t h SER 161 CO 0.00 0.72 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.11 2r1t h PHE 162 N 1.20 0.60 -0.73 3.45 -1.00 -1.85 0.11 116.94 118.72 2r1t h PHE 162 Ca 0.34 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 61.01 2r1t h PHE 162 Cb -0.08 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 2r1t h PHE 162 CO -0.00 0.71 0.48 0.93 -1.61 0.00 0.00 178.31 178.83 2r1t h GLU 163 N 0.31 0.97 0.13 1.51 5.08 -1.83 0.38 114.58 121.13 2r1t h GLU 163 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2r1t h GLU 163 Cb 0.50 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2r1t h GLU 163 CO 0.02 0.64 -0.06 0.35 -1.00 0.00 0.00 179.01 178.96 2r1t h PHE 164 N 1.00 -0.16 -0.64 4.33 3.57 -0.91 -1.02 116.94 123.11 2r1t h PHE 164 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2r1t h PHE 164 Cb -0.11 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2r1t h PHE 164 CO -0.02 -0.10 0.29 0.00 -2.23 0.00 0.00 178.31 176.25 2r1t h ALA 165 N 0.71 0.83 0.00 2.41 0.00 -0.64 -2.07 119.26 120.50 2r1t h ALA 165 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2r1t h ALA 165 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2r1t h ALA 165 CO 0.03 0.41 -0.34 -0.07 0.00 0.00 0.00 179.25 179.28 2r1t h LEU 166 N 0.89 0.00 -0.55 0.00 3.38 -0.81 -1.56 115.31 116.66 2r1t h LEU 166 Ca 0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 2r1t h LEU 166 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2r1t h LEU 166 CO -0.02 0.34 -0.34 0.00 0.09 0.00 0.00 178.44 178.51 2r1t h ALA 167 N 1.66 0.74 -0.35 1.53 0.00 -0.69 -0.96 119.26 121.19 2r1t h ALA 167 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2r1t h ALA 167 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2r1t h ALA 167 CO 0.04 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.83 2r1t h ILE 168 N 0.67 1.24 -0.54 0.00 2.04 -0.90 -1.58 117.51 118.44 2r1t h ILE 168 Ca 0.07 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.12 2r1t h ILE 168 Cb 0.89 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2r1t h ILE 168 CO 0.08 0.28 0.35 0.58 0.00 0.00 0.00 178.15 179.43 2r1t h VAL 169 N 0.41 1.10 -0.64 1.67 2.07 -1.08 -1.33 116.25 118.46 2r1t h VAL 169 Ca 0.11 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2r1t h VAL 169 Cb 0.35 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2r1t h VAL 169 CO 0.01 0.13 0.16 -0.08 0.02 0.00 0.00 177.57 177.81 2r1t h GLU 170 N 0.70 0.99 -0.01 1.57 4.81 -1.06 0.44 114.58 122.02 2r1t h GLU 170 Ca 0.21 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2r1t h GLU 170 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2r1t h GLU 170 CO -0.07 0.88 -0.36 0.00 -0.73 0.00 0.00 179.01 178.73 2r1t h ALA 171 N 1.22 1.39 0.02 2.92 0.00 -0.79 -1.00 119.26 123.02 2r1t h ALA 171 Ca 0.20 -0.33 -0.40 0.00 0.00 0.00 0.00 54.91 54.38 2r1t h ALA 171 Cb 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2r1t h ALA 171 CO -0.00 0.46 -2.38 1.28 0.00 0.00 0.00 179.25 178.60 2r1t n LEU 172 N -4.11 2.65 -0.29 0.00 4.32 -0.55 -4.72 117.00 114.30 2r1t n LEU 172 Ca -0.02 0.04 0.04 0.00 -0.02 0.00 0.00 56.01 56.05 2r1t n LEU 172 Cb 0.40 -0.92 0.02 0.00 -1.62 0.00 0.00 43.42 41.31 2r1t n LEU 172 CO 0.39 0.81 0.33 0.59 -1.22 0.00 0.00 177.39 178.29 2r1t n ASN 173 N -3.57 1.51 0.00 -1.43 5.03 0.15 -4.98 115.26 111.97 2r1t n ASN 173 Ca -0.46 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 53.74 2r1t n ASN 173 Cb 0.96 0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.86 2r1t n ASN 173 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r1t n GLY 174 N 0.57 1.39 0.21 7.41 0.00 -0.38 -4.42 105.19 109.97 2r1t n GLY 174 Ca 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2r1t n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r1t h LYS 175 N 0.00 0.19 0.22 1.61 1.57 -1.89 -2.50 116.57 115.77 2r1t h LYS 175 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2r1t h LYS 175 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2r1t h LYS 175 CO 0.00 0.50 -0.11 1.49 -0.57 0.00 0.00 179.45 180.76 2r1t h GLU 176 N 0.16 -0.29 -0.66 3.15 4.81 -1.96 -1.60 114.58 118.19 2r1t h GLU 176 Ca 0.02 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2r1t h GLU 176 Cb 0.67 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 2r1t h GLU 176 CO 0.05 -0.06 0.31 0.28 -0.73 0.00 0.00 179.01 178.86 2r1t h VAL 177 N -0.48 1.22 -0.46 0.32 2.07 -1.76 -1.86 116.25 115.29 2r1t h VAL 177 Ca -0.03 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2r1t h VAL 177 Cb 0.36 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2r1t h VAL 177 CO 0.05 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.19 2r1t h ALA 178 N 1.40 0.58 -0.45 1.67 0.00 -1.27 -1.17 119.26 120.01 2r1t h ALA 178 Ca 0.23 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2r1t h ALA 178 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2r1t h ALA 178 CO -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.23 2r1t h ALA 179 N 1.15 1.09 -0.56 0.00 0.00 -0.91 -0.88 119.26 119.15 2r1t h ALA 179 Ca 0.17 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2r1t h ALA 179 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2r1t h ALA 179 CO -0.03 0.57 0.03 1.96 0.00 0.00 0.00 179.25 181.78 2r1t h GLN 180 N 0.71 0.96 -0.30 0.00 4.20 -0.90 -2.62 115.11 117.16 2r1t h GLN 180 Ca 0.13 -0.29 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 2r1t h GLN 180 Cb 0.49 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2r1t h GLN 180 CO 0.03 0.95 -0.47 0.28 -0.67 0.00 0.00 178.83 178.95 2r1t h VAL 181 N 0.85 1.29 -0.18 -0.54 2.07 -1.07 -3.32 116.25 115.35 2r1t h VAL 181 Ca 0.16 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 2r1t h VAL 181 Cb 0.50 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2r1t h VAL 181 CO 0.02 0.54 0.08 0.50 0.02 0.00 0.00 177.57 178.73 2r1t h LYS 182 N 0.63 0.26 -0.78 1.57 3.64 -1.01 -3.33 116.57 117.55 2r1t h LYS 182 Ca 0.03 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 2r1t h LYS 182 Cb 1.04 -0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 2r1t h LYS 182 CO 0.10 0.31 -0.23 0.00 -2.27 0.00 0.00 179.45 177.36 2r1t h ALA 183 N 0.93 0.42 0.00 5.00 0.00 -1.57 -0.48 119.26 123.57 2r1t h ALA 183 Ca 0.06 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2r1t h ALA 183 Cb 0.14 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2r1t h ALA 183 CO -0.01 -0.46 0.00 -2.30 0.00 0.00 0.00 179.25 176.48 2r1t n PRO 184 N -5.50 0.17 0.25 0.00 -0.02 -1.25 -3.03 135.00 125.61 2r1t n PRO 184 Ca 0.10 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 2r1t n PRO 184 Cb 0.40 -1.86 0.48 0.00 -0.02 0.00 0.00 33.50 32.50 2r1t n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2r1t h LEU 185 N 0.00 0.00 -1.46 2.45 3.38 -1.23 -3.47 115.31 114.98 2r1t h LEU 185 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2r1t h LEU 185 Cb 0.29 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.18 2r1t h LEU 185 CO 0.00 0.05 -0.65 0.52 0.09 0.00 0.00 178.44 178.46 2r1t n VAL 186 N -3.15 -4.47 -2.68 1.22 0.31 -1.17 -4.99 118.33 103.41 2r1t n VAL 186 Ca 0.02 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.71 2r1t n VAL 186 Cb 0.40 -4.39 -0.06 0.00 -0.91 0.00 0.00 33.84 28.89 2r1t n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2r1t s LEU 187 N -6.00 3.83 0.00 7.52 1.43 -1.26 -5.18 118.68 119.02 2r1t s LEU 187 Ca 0.15 1.63 0.22 0.00 -1.03 0.00 0.00 54.13 55.10 2r1t s LEU 187 Cb -0.06 -4.51 1.34 0.00 0.03 0.00 0.00 46.19 42.99 2r1t s LEU 187 CO 0.64 -0.44 1.71 1.17 0.23 0.00 0.00 176.35 179.66