#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 7.31 0.62 0.00 0.01 -1.26 -5.05 113.70 115.32 2r1t s SER 3 Ca 0.00 1.55 -0.16 0.00 1.31 0.00 0.00 55.95 58.65 2r1t s SER 3 Cb 0.00 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2r1t s SER 3 CO 0.00 0.18 1.08 -0.54 0.41 0.00 0.00 173.24 174.37 2r1t s LYS 4 N -0.92 3.11 0.00 12.44 -0.14 -1.26 -4.86 119.74 128.12 2r1t s LYS 4 Ca 0.35 1.31 0.07 0.00 -1.36 0.00 0.00 55.97 56.34 2r1t s LYS 4 Cb -0.22 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.91 2r1t s LYS 4 CO 0.25 -0.99 -0.23 1.03 -0.76 0.00 0.00 175.35 174.64 2r1t s ARG 5 N -4.02 1.77 -0.02 1.68 0.52 -1.26 -1.24 118.95 116.37 2r1t s ARG 5 Ca 0.66 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 55.04 2r1t s ARG 5 Cb -0.18 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 2r1t s ARG 5 CO 0.38 0.48 -0.17 0.00 0.02 0.00 0.00 175.30 176.01 2r1t s ALA 6 N -0.61 1.44 -0.22 2.13 0.00 -0.23 -0.67 121.76 123.60 2r1t s ALA 6 Ca 0.09 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2r1t s ALA 6 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2r1t s ALA 6 CO -0.00 0.31 -0.05 -1.17 0.00 0.00 0.00 175.76 174.86 2r1t s LEU 7 N -0.21 2.87 -0.27 0.00 2.96 -0.37 -0.76 118.68 122.90 2r1t s LEU 7 Ca 0.02 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2r1t s LEU 7 Cb -0.09 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.90 2r1t s LEU 7 CO 0.00 -0.02 0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 2r1t s VAL 8 N 1.45 3.37 -0.38 1.68 1.01 -0.35 0.72 120.40 127.90 2r1t s VAL 8 Ca 0.06 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2r1t s VAL 8 Cb -0.14 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2r1t s VAL 8 CO -0.03 0.12 0.76 -0.63 0.00 0.00 0.00 175.10 175.32 2r1t s ILE 9 N 1.40 4.73 -0.33 2.22 1.01 -0.98 -0.53 121.20 128.72 2r1t s ILE 9 Ca 0.01 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.29 2r1t s ILE 9 Cb -0.17 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2r1t s ILE 9 CO -0.01 -0.48 0.19 -0.22 0.00 0.00 0.00 174.94 174.42 2r1t s LEU 10 N 3.09 4.35 0.26 2.97 2.96 0.85 -4.41 118.68 128.75 2r1t s LEU 10 Ca 0.30 -0.58 0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2r1t s LEU 10 Cb -0.13 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2r1t s LEU 10 CO 0.18 -0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 2r1t s ALA 11 N 1.64 2.85 0.26 5.97 0.00 -1.26 -1.24 121.76 129.98 2r1t s ALA 11 Ca 0.05 -1.76 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 2r1t s ALA 11 Cb -0.18 -0.45 -0.13 0.00 0.00 0.00 0.00 23.12 22.37 2r1t s ALA 11 CO 0.08 0.31 1.45 1.17 0.00 0.00 0.00 175.76 178.77 2r1t n LYS 12 N -0.53 2.24 -0.52 0.00 4.81 -1.26 -1.72 118.16 121.18 2r1t n LYS 12 Ca -0.07 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2r1t n LYS 12 Cb 0.59 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.15 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 2.03 0.75 3.77 3.14 0.00 -0.84 -3.47 105.19 110.57 2r1t n GLY 13 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.66 2.97 -0.44 4.61 0.00 -0.70 -2.47 121.76 123.08 2r1t s ALA 14 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 2r1t s ALA 14 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2r1t s ALA 14 CO 0.00 -0.77 1.39 -2.00 0.00 0.00 0.00 175.76 174.38 2r1t s GLU 15 N -2.69 3.55 0.43 0.00 -6.30 -0.69 -0.72 118.70 112.27 2r1t s GLU 15 Ca 0.64 0.85 0.18 0.00 -2.50 0.00 0.00 54.97 54.14 2r1t s GLU 15 Cb -0.31 -4.03 1.10 0.00 0.00 0.00 0.00 34.13 30.89 2r1t s GLU 15 CO 0.38 -1.60 1.89 1.05 0.02 0.00 0.00 175.26 176.99 2r1t h GLU 16 N 10.66 0.37 -0.26 4.30 9.09 -1.91 -1.42 114.58 135.41 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 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2r1t h GLU 16 CO 1.10 0.25 -0.53 0.52 0.05 0.00 0.00 179.01 180.40 2r1t h MET 17 N 0.38 0.74 0.00 1.06 2.86 -1.99 0.21 114.93 118.20 2r1t h MET 17 Ca 0.42 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2r1t h MET 17 Cb 1.05 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2r1t h MET 17 CO -0.14 1.08 0.00 0.39 1.06 0.00 0.00 176.91 179.30 2r1t n GLU 18 N -3.99 0.05 -0.13 1.72 1.02 -0.59 -2.05 120.64 116.67 2r1t n GLU 18 Ca -0.04 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 56.98 2r1t n GLU 18 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.47 1.53 -0.12 2.62 -1.04 -0.87 -4.41 114.28 110.52 2r1t n THR 19 Ca 0.06 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 2r1t n THR 19 Cb 0.23 -1.96 0.01 0.00 -1.82 0.00 0.00 70.33 66.79 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 -0.20 12.58 2.07 -0.98 -2.80 116.25 127.20 2r1t h VAL 20 Ca -0.56 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2r1t h VAL 20 Cb 1.48 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2r1t h VAL 20 CO -0.34 0.50 0.09 0.40 0.02 0.00 0.00 177.57 178.24 2r1t h ILE 21 N 0.76 1.14 -0.61 4.57 2.04 -1.64 0.53 117.51 124.31 2r1t h ILE 21 Ca 0.08 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 2r1t h ILE 21 Cb 0.90 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2r1t h ILE 21 CO 0.08 0.13 -0.01 -0.65 0.00 0.00 0.00 178.15 177.70 2r1t h PRO 22 N 0.18 1.08 -0.25 2.37 0.11 -1.77 -0.86 132.00 132.87 2r1t h PRO 22 Ca 0.07 -0.35 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 2r1t h PRO 22 Cb 0.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2r1t h PRO 22 CO -0.01 1.06 0.15 0.28 -0.21 0.00 0.00 178.00 179.27 2r1t h VAL 23 N 0.98 1.09 0.38 3.15 2.07 -1.34 -0.36 116.25 122.22 2r1t h VAL 23 Ca 0.17 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2r1t h VAL 23 Cb 0.58 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2r1t h VAL 23 CO 0.03 0.09 -0.18 -0.78 0.02 0.00 0.00 177.57 176.75 2r1t h ASP 24 N 0.31 -0.43 -0.85 0.57 1.82 -0.80 -2.13 116.42 114.91 2r1t h ASP 24 Ca 0.09 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2r1t h ASP 24 Cb 0.01 0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 2r1t h ASP 24 CO -0.02 -0.25 0.55 0.58 -1.61 0.00 0.00 179.24 178.49 2r1t h VAL 25 N -0.58 1.16 -0.51 2.25 2.07 -1.09 -1.50 116.25 118.04 2r1t h VAL 25 Ca -0.05 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 2r1t h VAL 25 Cb 0.43 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2r1t h VAL 25 CO 0.09 0.20 -0.05 0.24 0.02 0.00 0.00 177.57 178.07 2r1t h MET 26 N 1.09 0.90 -0.02 1.57 2.86 -1.01 -2.18 114.93 118.14 2r1t h MET 26 Ca 0.33 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2r1t h MET 26 Cb -0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2r1t h MET 26 CO -0.10 0.93 -0.40 0.00 1.06 0.00 0.00 176.91 178.39 2r1t h ARG 27 N 0.82 0.03 0.00 1.72 3.08 -0.94 -0.89 114.38 118.21 2r1t h ARG 27 Ca 0.15 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2r1t h ARG 27 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2r1t h ARG 27 CO 0.03 0.43 -0.26 0.00 -1.07 0.00 0.00 179.97 179.11 2r1t h ARG 28 N 0.03 0.00 -0.00 0.04 3.08 -0.82 -1.96 114.38 114.74 2r1t h ARG 28 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2r1t h ARG 28 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2r1t h ARG 28 CO 0.05 0.26 -0.01 0.00 -1.07 0.00 0.00 179.97 179.20 2r1t n ALA 29 N -2.33 2.66 -0.84 0.04 0.00 -0.43 -4.89 120.51 114.72 2r1t n ALA 29 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2r1t n ALA 29 Cb 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.10 0.55 3.76 0.00 0.00 -0.74 -5.03 105.19 104.83 2r1t n GLY 30 Ca 0.21 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 4.49 -0.57 -0.61 1.01 -0.67 -4.63 121.20 118.22 2r1t s ILE 31 Ca 0.00 1.74 -0.27 0.00 0.00 0.00 0.00 60.65 62.13 2r1t s ILE 31 Cb 0.00 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.34 2r1t s ILE 31 CO 0.00 0.44 1.10 -0.54 0.00 0.00 0.00 174.94 175.94 2r1t s LYS 32 N -0.64 3.44 -0.18 2.79 1.02 -0.37 -4.23 119.74 121.57 2r1t s LYS 32 Ca 0.38 0.05 -0.09 0.00 0.02 0.00 0.00 55.97 56.33 2r1t s LYS 32 Cb -0.22 -4.03 -0.05 0.00 -0.52 0.00 0.00 37.83 33.01 2r1t s LYS 32 CO 0.26 -1.61 0.12 0.08 -0.92 0.00 0.00 175.35 173.28 2r1t s VAL 33 N 4.58 5.33 -0.26 3.17 1.01 -1.26 -1.07 120.40 131.90 2r1t s VAL 33 Ca 0.38 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 2r1t s VAL 33 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2r1t s VAL 33 CO 0.23 0.48 -0.05 -0.89 0.00 0.00 0.00 175.10 174.87 2r1t s THR 34 N 0.11 2.96 -0.46 3.92 2.01 0.06 -4.96 115.64 119.28 2r1t s THR 34 Ca 0.09 -1.03 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 2r1t s THR 34 Cb -0.11 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.90 2r1t s THR 34 CO -0.01 0.16 0.72 -0.69 -0.69 0.00 0.00 174.62 174.12 2r1t s VAL 35 N 1.33 4.72 -0.19 3.82 1.01 -1.26 -1.21 120.40 128.63 2r1t s VAL 35 Ca -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2r1t s VAL 35 Cb -0.17 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2r1t s VAL 35 CO -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 175.10 174.36 2r1t s ALA 36 N 3.08 3.14 -0.10 5.51 0.00 0.30 -0.37 121.76 133.33 2r1t s ALA 36 Ca 0.25 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2r1t s ALA 36 Cb -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2r1t s ALA 36 CO 0.19 -0.01 1.05 0.20 0.00 0.00 0.00 175.76 177.20 2r1t s GLY 37 N 0.74 2.26 0.17 0.00 0.00 0.18 -0.10 107.32 110.57 2r1t s GLY 37 Ca 0.01 0.42 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 2r1t s GLY 37 CO 0.02 2.00 1.77 -2.00 0.00 0.00 0.00 173.10 174.89 2r1t h LEU 38 N 8.14 0.25 0.00 0.66 5.85 -1.52 0.16 115.31 128.85 2r1t h LEU 38 Ca -0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2r1t h LEU 38 Cb 1.15 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2r1t h LEU 38 CO 0.87 0.18 -0.14 0.00 -0.34 0.00 0.00 178.44 179.01 2r1t n ALA 39 N -2.34 2.62 0.00 1.25 0.00 -1.26 -4.65 120.51 116.13 2r1t n ALA 39 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2r1t n ALA 39 Cb 0.14 -1.38 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 1.47 0.49 0.01 0.00 0.00 -0.97 -4.89 105.19 101.29 2r1t n GLY 40 Ca 0.06 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.71 2r1t n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r1t n LYS 41 N 0.00 0.08 -1.32 1.61 5.02 -1.26 -3.73 118.16 118.56 2r1t n LYS 41 Ca 0.00 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 2r1t n LYS 41 Cb 0.00 -1.54 0.10 0.00 -0.02 0.00 0.00 35.03 33.57 2r1t n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2r1t s ASP 42 N -3.30 4.03 0.54 4.39 1.11 -1.26 -4.51 116.67 117.68 2r1t s ASP 42 Ca 0.09 2.29 -0.22 0.00 0.18 0.00 0.00 52.55 54.90 2r1t s ASP 42 Cb 0.16 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.53 2r1t s ASP 42 CO 0.72 -2.37 1.33 -2.16 1.18 0.00 0.00 175.17 173.87 2r1t s PRO 43 N -4.08 3.17 -0.16 8.23 0.04 -1.26 -4.54 135.00 136.40 2r1t s PRO 43 Ca 0.72 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.88 2r1t s PRO 43 Cb -0.27 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2r1t s PRO 43 CO 0.48 -1.14 -0.02 0.08 0.04 0.00 0.00 177.00 176.44 2r1t s VAL 44 N -1.34 4.09 -0.50 -0.36 1.01 0.40 -4.94 120.40 118.76 2r1t s VAL 44 Ca 0.71 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2r1t s VAL 44 Cb -0.39 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.23 2r1t s VAL 44 CO 0.46 0.49 0.83 -1.58 0.00 0.00 0.00 175.10 175.30 2r1t s GLN 45 N 0.35 3.34 1.01 2.72 0.74 -1.26 -1.57 119.66 125.00 2r1t s GLN 45 Ca -0.03 -0.26 -0.15 0.00 0.05 0.00 0.00 55.36 54.97 2r1t s GLN 45 Cb -0.14 -4.01 0.20 0.00 1.10 0.00 0.00 33.01 30.17 2r1t s GLN 45 CO 0.02 -1.29 1.17 0.00 -0.55 0.00 0.00 175.29 174.65 2r1t h SER 47 N -1.88 0.44 -0.80 0.00 4.64 -1.04 -1.47 113.55 113.44 2r1t h SER 47 Ca -0.48 0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 2r1t h SER 47 Cb 1.30 -0.05 -0.31 0.00 -0.31 0.00 0.00 62.40 63.03 2r1t h SER 47 CO 0.48 0.20 0.10 0.54 -0.87 0.00 0.00 176.83 177.27 2r1t n ARG 48 N -4.51 2.83 -0.98 4.77 3.00 -1.26 -4.93 116.66 115.58 2r1t n ARG 48 Ca 0.18 -3.56 0.00 0.00 -0.01 0.00 0.00 57.85 54.46 2r1t n ARG 48 Cb 0.62 -2.19 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 -0.90 -5.58 -4.71 0.55 8.00 -0.55 -4.96 116.55 108.39 2r1t n ASP 49 Ca 0.51 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.59 2r1t n ASP 49 Cb 0.91 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.68 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 -1.06 4.16 -0.29 2.53 1.01 -1.26 -4.72 120.40 120.77 2r1t s VAL 50 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 2r1t s VAL 50 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2r1t s VAL 50 CO 0.00 0.11 0.19 -0.69 0.00 0.00 0.00 175.10 174.72 2r1t s VAL 51 N 1.15 5.26 -0.11 2.92 1.01 -1.26 -0.96 120.40 128.41 2r1t s VAL 51 Ca 0.58 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2r1t s VAL 51 Cb -0.28 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2r1t s VAL 51 CO 0.28 0.20 -0.15 -0.63 0.00 0.00 0.00 175.10 174.81 2r1t s ILE 52 N 1.75 2.94 -0.27 2.22 1.01 -0.61 -4.92 121.20 123.32 2r1t s ILE 52 Ca 0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 2r1t s ILE 52 Cb -0.16 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2r1t s ILE 52 CO 0.11 0.54 0.38 0.00 0.00 0.00 0.00 174.94 175.97 2r1t s PRO 54 N 2.06 2.49 0.43 0.00 0.04 -1.26 -4.93 135.00 133.83 2r1t s PRO 54 Ca 0.15 1.30 0.24 0.00 0.04 0.00 0.00 61.00 62.73 2r1t s PRO 54 Cb -0.16 -1.92 0.76 0.00 0.04 0.00 0.00 34.50 33.23 2r1t s PRO 54 CO 0.10 -1.48 1.76 -0.44 0.04 0.00 0.00 177.00 176.98 2r1t h ASP 55 N -0.56 0.00 -5.44 6.66 3.32 -1.08 -3.47 116.42 115.85 2r1t h ASP 55 Ca -0.45 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.85 2r1t h ASP 55 Cb 1.24 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 2r1t h ASP 55 CO 0.52 0.19 0.66 0.00 -1.72 0.00 0.00 179.24 178.90 2r1t s ALA 56 N -3.47 -1.96 0.54 3.45 0.00 -1.09 -4.99 121.76 114.25 2r1t s ALA 56 Ca 0.02 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 2r1t s ALA 56 Cb 0.09 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.60 2r1t s ALA 56 CO 0.64 -1.01 1.00 -1.54 0.00 0.00 0.00 175.76 174.86 2r1t s SER 57 N -2.90 6.45 0.24 0.00 1.04 -1.26 -0.64 113.70 116.63 2r1t s SER 57 Ca 0.13 1.59 -0.04 0.00 0.48 0.00 0.00 55.95 58.10 2r1t s SER 57 Cb 0.02 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 63.88 2r1t s SER 57 CO -0.01 -0.71 1.74 0.25 0.98 0.00 0.00 173.24 175.48 2r1t h LEU 58 N 0.71 0.88 -1.29 2.42 5.85 -1.20 -0.60 115.31 122.07 2r1t h LEU 58 Ca -0.46 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.16 2r1t h LEU 58 Cb 1.19 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2r1t h LEU 58 CO 0.61 0.91 0.55 -0.08 -0.34 0.00 0.00 178.44 180.09 2r1t h GLU 59 N 0.86 0.74 0.08 1.25 4.81 -1.88 0.46 114.58 120.91 2r1t h GLU 59 Ca 0.17 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2r1t h GLU 59 Cb 0.44 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.66 2r1t h GLU 59 CO 0.02 0.49 -0.66 -0.44 -0.73 0.00 0.00 179.01 177.69 2r1t h ASP 60 N 0.77 0.26 -0.53 1.04 3.45 -1.85 -3.32 116.42 116.23 2r1t h ASP 60 Ca 0.40 -0.92 0.02 0.00 0.43 0.00 0.00 57.03 56.96 2r1t h ASP 60 Cb 0.51 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 2r1t h ASP 60 CO -0.17 1.30 0.35 0.00 -1.57 0.00 0.00 179.24 179.15 2r1t h ALA 61 N -0.01 1.68 0.00 3.45 0.00 -0.75 -0.50 119.26 123.13 2r1t h ALA 61 Ca -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2r1t h ALA 61 Cb 1.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2r1t h ALA 61 CO 0.06 0.27 -0.02 -0.22 0.00 0.00 0.00 179.25 179.34 2r1t h LYS 62 N 0.66 0.00 -0.01 0.00 3.64 -0.19 -0.06 116.57 120.61 2r1t h LYS 62 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2r1t h LYS 62 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2r1t h LYS 62 CO -0.05 0.02 -0.24 1.17 -2.27 0.00 0.00 179.45 178.08 2r1t n LYS 63 N -3.57 1.09 -0.43 1.90 4.81 -0.20 -3.87 118.16 117.89 2r1t n LYS 63 Ca -0.03 -0.71 0.08 0.00 -0.87 0.00 0.00 58.31 56.79 2r1t n LYS 63 Cb 0.11 -1.49 0.27 0.00 0.02 0.00 0.00 35.03 33.95 2r1t n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2r1t n GLU 64 N -0.34 3.24 -0.66 1.64 -0.58 -0.04 -5.01 120.64 118.90 2r1t n GLU 64 Ca 0.13 -2.61 -0.19 0.00 -0.42 0.00 0.00 57.16 54.07 2r1t n GLU 64 Cb 0.38 -1.67 0.16 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.56 -2.62 3.92 0.62 0.00 -1.21 -4.87 105.19 101.58 2r1t n GLY 65 Ca 0.20 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.55 3.19 0.12 1.61 0.04 -1.26 -5.14 135.00 129.01 2r1t s PRO 66 Ca 0.44 0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.61 2r1t s PRO 66 Cb -0.04 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2r1t s PRO 66 CO 0.34 -0.47 -0.10 0.71 0.04 0.00 0.00 177.00 177.52 2r1t s TYR 67 N -2.86 2.70 -0.39 0.56 1.51 -1.26 -4.93 117.35 112.68 2r1t s TYR 67 Ca 0.51 -0.18 0.27 0.00 -1.01 0.00 0.00 57.07 56.66 2r1t s TYR 67 Cb -0.10 -1.39 0.94 0.00 -0.11 0.00 0.00 41.96 41.30 2r1t s TYR 67 CO 0.45 0.45 1.78 -0.44 -1.11 0.00 0.00 175.55 176.67 2r1t h ASP 68 N 3.43 0.00 -4.10 2.29 5.19 -1.27 -3.45 116.42 118.51 2r1t h ASP 68 Ca -0.48 0.00 -0.04 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 0.52 0.00 0.13 0.54 -3.12 0.00 0.00 179.24 177.31 2r1t s VAL 69 N -3.34 0.00 -0.16 -1.35 0.11 -1.18 -3.17 120.40 111.32 2r1t s VAL 69 Ca 0.05 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2r1t s VAL 69 Cb 0.09 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2r1t s VAL 69 CO 0.52 -0.00 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.49 2r1t s VAL 70 N 0.22 3.08 -0.16 2.04 1.01 -0.95 -1.23 120.40 124.40 2r1t s VAL 70 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2r1t s VAL 70 Cb -0.04 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2r1t s VAL 70 CO 0.02 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 2r1t s VAL 71 N 0.68 3.54 -0.35 2.92 1.01 0.22 -1.10 120.40 127.34 2r1t s VAL 71 Ca -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2r1t s VAL 71 Cb -0.15 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.74 2r1t s VAL 71 CO 0.02 0.48 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 2r1t s LEU 72 N 0.61 4.42 0.91 3.92 1.43 0.11 -2.32 118.68 127.76 2r1t s LEU 72 Ca -0.04 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.59 2r1t s LEU 72 Cb -0.15 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.38 2r1t s LEU 72 CO 0.03 -0.36 1.09 -2.84 0.23 0.00 0.00 176.35 174.50 2r1t s PRO 73 N 1.32 1.19 0.00 1.29 0.02 -1.26 -2.08 135.00 135.48 2r1t s PRO 73 Ca -0.01 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2r1t s PRO 73 Cb -0.20 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2r1t s PRO 73 CO 0.01 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.81 2r1t n GLY 74 N -1.20 1.39 0.00 0.52 0.00 -1.05 -4.10 105.19 100.74 2r1t n GLY 74 Ca 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 1.31 0.43 -0.02 0.00 -1.26 -1.71 105.19 108.94 2r1t n GLY 75 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.80 -0.28 1.61 -0.26 -1.95 0.40 115.58 113.29 2r1t h ASN 76 Ca 0.00 0.24 -0.07 0.00 -0.56 0.00 0.00 56.30 55.90 2r1t h ASN 76 Cb 0.00 0.74 -0.02 0.00 -1.06 0.00 0.00 38.32 37.98 2r1t h ASN 76 CO 0.00 -0.38 -0.06 -0.07 -1.06 0.00 0.00 177.43 175.86 2r1t h LEU 77 N -0.36 0.64 -0.30 1.61 3.38 -1.90 -1.98 115.31 116.40 2r1t h LEU 77 Ca 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2r1t h LEU 77 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2r1t h LEU 77 CO -0.59 0.75 0.12 1.23 0.09 0.00 0.00 178.44 180.04 2r1t h GLY 78 N 0.95 0.47 1.21 0.83 0.00 -1.01 -2.14 103.07 103.39 2r1t h GLY 78 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2r1t h GLY 78 CO 0.02 0.24 0.34 0.00 0.00 0.00 0.00 176.54 177.15 2r1t h ALA 79 N 0.97 1.25 -0.78 3.60 0.00 0.01 -1.80 119.26 122.51 2r1t h ALA 79 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2r1t h ALA 79 Cb 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2r1t h ALA 79 CO -0.01 0.57 0.43 0.37 0.00 0.00 0.00 179.25 180.61 2r1t h GLN 80 N 1.01 1.09 -0.65 0.00 5.75 -1.14 0.14 115.11 121.32 2r1t h GLN 80 Ca 0.25 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2r1t h GLN 80 Cb 0.11 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2r1t h GLN 80 CO -0.03 0.81 0.22 -0.91 -2.65 0.00 0.00 178.83 176.27 2r1t h ASN 81 N 1.08 0.92 -0.60 -0.69 2.35 -0.74 -1.79 115.58 116.11 2r1t h ASN 81 Ca 0.28 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2r1t h ASN 81 Cb 0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2r1t h ASN 81 CO -0.04 0.87 0.06 -0.07 -1.65 0.00 0.00 177.43 176.59 2r1t h LEU 82 N 0.92 0.98 -1.61 1.61 3.38 -0.77 -2.78 115.31 117.04 2r1t h LEU 82 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2r1t h LEU 82 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2r1t h LEU 82 CO -0.01 1.02 -0.21 0.28 0.09 0.00 0.00 178.44 179.61 2r1t h SER 83 N 0.91 0.00 0.07 -0.43 0.02 -0.40 -2.72 113.55 111.01 2r1t h SER 83 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2r1t h SER 83 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2r1t h SER 83 CO 0.02 0.21 -0.17 -0.62 -1.14 0.00 0.00 176.83 175.13 2r1t n GLU 84 N -4.20 1.40 -2.97 3.45 1.02 -0.70 -4.79 120.64 113.86 2r1t n GLU 84 Ca -0.02 -0.95 -0.41 0.00 -0.02 0.00 0.00 57.16 55.76 2r1t n GLU 84 Cb 0.27 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.26 6.79 0.25 1.62 0.15 -1.03 -4.94 113.70 114.30 2r1t s SER 85 Ca 0.28 0.98 0.02 0.00 0.70 0.00 0.00 55.95 57.93 2r1t s SER 85 Cb 0.20 -2.41 0.32 0.00 -1.71 0.00 0.00 66.02 62.42 2r1t s SER 85 CO 0.43 -0.42 1.64 0.00 1.20 0.00 0.00 173.24 176.09 2r1t h ALA 86 N 7.60 0.96 -0.62 5.45 0.00 -1.90 -2.05 119.26 128.70 2r1t h ALA 86 Ca -0.27 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2r1t h ALA 86 Cb 1.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2r1t h ALA 86 CO 0.83 0.62 0.33 0.00 0.00 0.00 0.00 179.25 181.03 2r1t h ALA 87 N 1.22 0.79 -0.57 0.00 0.00 -1.95 -1.95 119.26 116.80 2r1t h ALA 87 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2r1t h ALA 87 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2r1t h ALA 87 CO 0.07 0.32 -0.02 0.28 0.00 0.00 0.00 179.25 179.91 2r1t h VAL 88 N 0.84 1.26 -0.52 0.00 2.07 -1.81 -1.68 116.25 116.41 2r1t h VAL 88 Ca 0.22 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.63 2r1t h VAL 88 Cb 0.07 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2r1t h VAL 88 CO -0.03 0.41 0.28 0.50 0.02 0.00 0.00 177.57 178.75 2r1t h LYS 89 N 0.91 0.54 -0.48 1.57 3.64 -0.93 -0.79 116.57 121.03 2r1t h LYS 89 Ca 0.16 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 2r1t h LYS 89 Cb 0.55 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2r1t h LYS 89 CO 0.03 0.35 -0.01 1.49 -2.27 0.00 0.00 179.45 179.04 2r1t h GLU 90 N 0.55 0.85 -0.30 1.90 4.81 -1.19 -1.15 114.58 120.06 2r1t h GLU 90 Ca 0.22 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2r1t h GLU 90 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2r1t h GLU 90 CO -0.13 0.90 0.19 0.82 -0.73 0.00 0.00 179.01 180.06 2r1t h ILE 91 N 0.70 1.08 -0.37 2.32 2.04 -0.90 -1.13 117.51 121.25 2r1t h ILE 91 Ca 0.13 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2r1t h ILE 91 Cb 0.53 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2r1t h ILE 91 CO 0.03 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 178.05 2r1t h LEU 92 N 0.40 0.77 -0.71 1.44 3.38 -1.09 -1.09 115.31 118.41 2r1t h LEU 92 Ca 0.11 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2r1t h LEU 92 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2r1t h LEU 92 CO -0.02 0.98 0.47 0.11 0.09 0.00 0.00 178.44 180.07 2r1t h LYS 93 N 0.55 0.93 -0.47 1.13 1.57 -1.09 0.10 116.57 119.30 2r1t h LYS 93 Ca 0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2r1t h LYS 93 Cb 0.67 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2r1t h LYS 93 CO 0.05 0.62 0.08 1.49 -0.57 0.00 0.00 179.45 181.12 2r1t h GLU 94 N 0.96 0.77 -0.61 3.15 4.57 -1.10 -0.09 114.58 122.24 2r1t h GLU 94 Ca 0.26 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2r1t h GLU 94 Cb -0.11 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 2r1t h GLU 94 CO -0.06 0.78 0.31 0.37 -1.18 0.00 0.00 179.01 179.23 2r1t h GLN 95 N 0.64 0.86 -0.58 1.92 5.75 -0.70 -0.90 115.11 122.11 2r1t h GLN 95 Ca 0.14 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2r1t h GLN 95 Cb 0.38 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2r1t h GLN 95 CO 0.01 0.68 0.16 1.49 -2.65 0.00 0.00 178.83 178.52 2r1t h GLU 96 N 0.83 0.91 -0.75 1.69 4.81 -0.63 0.38 114.58 121.81 2r1t h GLU 96 Ca 0.21 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2r1t h GLU 96 Cb 0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2r1t h GLU 96 CO -0.03 0.83 0.34 -0.91 -0.73 0.00 0.00 179.01 178.52 2r1t h ASN 97 N 0.83 0.99 -0.02 1.04 -0.26 -0.61 -2.03 115.58 115.52 2r1t h ASN 97 Ca 0.18 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2r1t h ASN 97 Cb 0.31 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2r1t h ASN 97 CO -0.00 0.85 0.00 0.54 -1.06 0.00 0.00 177.43 177.76 2r1t n ARG 98 N -4.31 1.24 -3.22 0.81 1.74 -0.38 -4.90 116.66 107.64 2r1t n ARG 98 Ca 0.07 -0.35 -0.16 0.00 -0.77 0.00 0.00 57.85 56.65 2r1t n ARG 98 Cb 0.15 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.54 -5.24 -3.63 5.56 4.01 -0.76 -5.02 118.16 112.54 2r1t n LYS 99 Ca 0.20 0.54 -0.28 0.00 -0.51 0.00 0.00 58.31 58.26 2r1t n LYS 99 Cb 0.19 -4.72 -0.03 0.00 -0.51 0.00 0.00 35.03 29.95 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 -3.21 1.88 0.34 0.72 0.00 0.13 -5.02 107.32 102.16 2r1t s GLY 100 Ca 0.39 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 2r1t s GLY 100 CO 0.48 -0.67 1.26 -2.27 0.00 0.00 0.00 173.10 171.90 2r1t s LEU 101 N -3.25 4.40 -0.09 0.66 2.96 -1.19 -4.53 118.68 117.65 2r1t s LEU 101 Ca 0.40 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.92 2r1t s LEU 101 Cb -0.11 -3.71 0.02 0.00 0.50 0.00 0.00 46.19 42.89 2r1t s LEU 101 CO 0.28 -0.52 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.04 2r1t s ILE 102 N -1.18 1.24 -0.10 6.68 1.01 -0.16 -2.25 121.20 126.45 2r1t s ILE 102 Ca 0.50 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2r1t s ILE 102 Cb -0.38 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 40.96 2r1t s ILE 102 CO 0.49 0.39 -0.14 0.00 0.00 0.00 0.00 174.94 175.68 2r1t s ALA 103 N 0.92 1.55 -0.00 9.38 0.00 -0.25 -0.79 121.76 132.56 2r1t s ALA 103 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2r1t s ALA 103 Cb -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 2r1t s ALA 103 CO 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 175.76 175.65 2r1t s ALA 104 N 0.95 0.52 0.05 0.00 0.00 -0.15 0.08 121.76 123.21 2r1t s ALA 104 Ca -0.08 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2r1t s ALA 104 Cb -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2r1t s ALA 104 CO -0.00 0.13 -0.20 -1.50 0.00 0.00 0.00 175.76 174.18 2r1t s ILE 105 N -0.15 1.65 0.00 0.00 2.07 -0.88 -1.83 121.20 122.06 2r1t s ILE 105 Ca 0.02 -1.25 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 2r1t s ILE 105 Cb -0.02 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.12 2r1t s ILE 105 CO -0.00 0.14 0.00 0.00 -1.91 0.00 0.00 174.94 173.17 2r1t n ALA 106 N 1.71 0.00 0.60 1.50 0.00 -0.21 -1.01 120.51 123.09 2r1t n ALA 106 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2r1t n ALA 106 Cb 0.53 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.28 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 10.01 2.57 -0.32 0.00 0.00 -1.26 -1.69 120.51 129.81 2r1t n ALA 107 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2r1t n ALA 107 Cb 0.00 -1.34 0.32 0.00 0.00 0.00 0.00 19.45 18.43 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 4.52 1.66 1.75 0.00 0.00 -1.22 -1.50 103.07 108.26 2r1t h GLY 108 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.10 2r1t h GLY 108 CO 0.00 -0.19 0.11 -2.55 0.00 0.00 0.00 176.54 173.91 2r1t h PRO 109 N 0.55 0.00 0.00 4.80 0.11 -1.77 -1.11 132.00 134.58 2r1t h PRO 109 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2r1t h PRO 109 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2r1t h PRO 109 CO -0.46 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.12 2r1t h THR 110 N 0.00 0.00 -0.01 -1.15 1.35 -1.57 0.81 112.91 112.35 2r1t h THR 110 Ca 0.04 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.63 2r1t h THR 110 Cb 0.25 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2r1t h THR 110 CO -0.00 0.00 -0.58 0.00 -0.25 0.00 0.00 175.52 174.69 2r1t h ALA 111 N 2.02 1.02 -0.59 6.62 0.00 -1.37 -2.11 119.26 124.84 2r1t h ALA 111 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2r1t h ALA 111 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2r1t h ALA 111 CO 0.00 0.73 0.03 -0.07 0.00 0.00 0.00 179.25 179.94 2r1t h LEU 112 N 0.02 1.00 -0.32 0.00 3.38 -0.98 -2.15 115.31 116.26 2r1t h LEU 112 Ca -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2r1t h LEU 112 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2r1t h LEU 112 CO 0.08 1.04 0.06 0.25 0.09 0.00 0.00 178.44 179.96 2r1t h LEU 113 N 0.92 0.50 -1.51 1.67 5.85 -1.41 0.27 115.31 121.59 2r1t h LEU 113 Ca 0.17 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2r1t h LEU 113 Cb 0.51 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2r1t h LEU 113 CO 0.02 0.63 0.43 0.00 -0.34 0.00 0.00 178.44 179.18 2r1t h ALA 114 N 0.90 1.86 -0.51 1.25 0.00 -1.17 -1.70 119.26 119.89 2r1t h ALA 114 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r1t h ALA 114 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2r1t h ALA 114 CO 0.00 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.99 2r1t n HIS 115 N -4.48 1.40 -3.90 0.00 8.25 -0.83 -4.97 115.22 110.70 2r1t n HIS 115 Ca 0.10 -0.69 -0.27 0.00 -0.26 0.00 0.00 57.72 56.60 2r1t n HIS 115 Cb 0.30 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 0.56 -2.93 -3.92 -0.41 1.02 -0.52 -4.92 120.64 109.51 2r1t n GLU 116 Ca 0.24 0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 57.44 2r1t n GLU 116 Cb 0.92 -4.43 -0.09 0.00 -0.02 0.00 0.00 31.44 27.82 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 -3.85 5.06 -1.47 -3.67 -1.09 0.82 -4.61 121.20 112.40 2r1t s ILE 117 Ca 0.10 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2r1t s ILE 117 Cb -0.04 -3.27 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 2r1t s ILE 117 CO 0.88 0.49 0.60 0.61 -1.23 0.00 0.00 174.94 176.29 2r1t n GLY 118 N 3.22 -0.51 3.69 6.18 0.00 -1.26 -4.66 105.19 111.84 2r1t n GLY 118 Ca -0.17 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.36 2.19 0.00 1.61 0.99 -1.26 -1.79 117.46 114.83 2r1t n PHE 119 Ca -0.08 0.54 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 2r1t n PHE 119 Cb 0.59 -2.41 0.00 0.00 -1.00 0.00 0.00 39.48 36.66 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 1.08 1.20 3.79 1.37 0.00 0.91 -5.02 105.19 108.52 2r1t n GLY 120 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.70 6.00 -0.14 1.61 0.01 -0.74 -4.67 113.70 114.08 2r1t s SER 121 Ca 0.00 1.95 -0.22 0.00 1.31 0.00 0.00 55.95 58.99 2r1t s SER 121 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2r1t s SER 121 CO 0.00 -1.02 0.68 -0.75 0.41 0.00 0.00 173.24 172.56 2r1t s LYS 122 N -3.52 4.32 0.17 12.44 2.20 -1.26 -2.13 119.74 131.97 2r1t s LYS 122 Ca 0.67 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 57.05 2r1t s LYS 122 Cb -0.18 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2r1t s LYS 122 CO 0.27 -0.11 0.08 0.14 -0.36 0.00 0.00 175.35 175.37 2r1t s VAL 123 N 1.45 0.15 0.19 4.02 -7.23 -0.13 -4.45 120.40 114.40 2r1t s VAL 123 Ca 0.33 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2r1t s VAL 123 Cb -0.17 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2r1t s VAL 123 CO 0.13 -0.24 0.01 0.28 -0.31 0.00 0.00 175.10 174.98 2r1t s THR 124 N -4.03 0.74 0.32 5.32 -1.32 -1.26 -0.42 115.64 114.99 2r1t s THR 124 Ca 0.31 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.72 2r1t s THR 124 Cb 0.07 -2.22 0.03 0.00 -1.51 0.00 0.00 72.50 68.87 2r1t s THR 124 CO 0.07 -0.39 0.56 0.35 -2.21 0.00 0.00 174.62 173.01 2r1t n THR 125 N -0.30 0.00 -2.16 5.08 -2.24 -1.26 -4.32 114.28 109.08 2r1t n THR 125 Ca -0.05 -1.14 -0.37 0.00 -2.27 0.00 0.00 64.05 60.21 2r1t n THR 125 Cb 0.64 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -3.21 2.78 0.40 4.78 2.46 -0.68 -4.50 115.29 117.31 2r1t s HIS 126 Ca 0.18 1.50 0.17 0.00 0.47 0.00 0.00 55.06 57.38 2r1t s HIS 126 Cb -0.03 -3.48 1.05 0.00 -0.13 0.00 0.00 32.58 30.00 2r1t s HIS 126 CO 0.13 -1.78 1.83 -1.35 -2.47 0.00 0.00 174.74 171.10 2r1t h PRO 127 N 2.02 0.43 0.00 2.88 0.11 -1.93 0.33 132.00 135.84 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 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2r1t h PRO 127 CO 0.60 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 2r1t n LEU 128 N -4.56 0.35 -0.75 2.35 4.77 -1.26 -2.92 117.00 114.99 2r1t n LEU 128 Ca 0.21 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.84 2r1t n LEU 128 Cb 0.73 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.44 2r1t n LEU 128 CO 0.29 -0.25 0.55 0.00 -1.33 0.00 0.00 177.39 176.65 2r1t n ALA 129 N -1.63 2.45 0.11 -1.18 0.00 0.09 -4.64 120.51 115.71 2r1t n ALA 129 Ca 0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2r1t n ALA 129 Cb 0.29 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 3.52 -0.33 -0.48 0.00 3.64 -1.39 -1.60 116.57 119.93 2r1t h LYS 130 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2r1t h LYS 130 Cb 0.76 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 2r1t h LYS 130 CO 0.00 -0.22 0.12 -0.44 -2.27 0.00 0.00 179.45 176.64 2r1t h ASP 131 N -0.34 0.05 -0.47 4.20 3.45 -1.82 0.57 116.42 122.06 2r1t h ASP 131 Ca 0.01 0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.57 2r1t h ASP 131 Cb 0.34 0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.18 2r1t h ASP 131 CO -0.06 0.05 0.29 0.50 -1.57 0.00 0.00 179.24 178.45 2r1t h LYS 132 N 0.26 0.57 -0.10 3.56 3.64 -1.84 -2.29 116.57 120.38 2r1t h LYS 132 Ca 0.24 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2r1t h LYS 132 Cb 0.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2r1t h LYS 132 CO -0.29 0.38 -0.24 1.98 -2.27 0.00 0.00 179.45 179.00 2r1t h MET 133 N 0.59 0.16 -0.14 1.90 4.05 -0.46 -3.01 114.93 118.02 2r1t h MET 133 Ca 0.18 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2r1t h MET 133 Cb -0.02 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2r1t h MET 133 CO -0.07 0.40 0.00 -1.33 0.23 0.00 0.00 176.91 176.14 2r1t n MET 134 N -4.19 1.87 -1.63 0.39 2.81 0.11 -4.72 117.12 111.75 2r1t n MET 134 Ca -0.01 -1.29 -0.42 0.00 -1.81 0.00 0.00 57.70 54.17 2r1t n MET 134 Cb 0.33 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.72 5.36 0.00 7.83 3.04 -0.90 -0.41 114.94 128.13 2r1t s ASN 135 Ca 0.34 1.74 0.00 0.00 0.04 0.00 0.00 52.86 54.99 2r1t s ASN 135 Cb 0.19 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 2r1t s ASN 135 CO 0.29 -2.06 0.00 0.61 -3.04 0.00 0.00 177.10 172.90 2r1t n GLY 136 N 5.77 0.79 2.92 1.21 0.00 -1.26 -4.55 105.19 110.07 2r1t n GLY 136 Ca 0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.32 0.01 -0.02 0.00 0.45 -4.91 105.19 98.78 2r1t n GLY 137 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.39 0.00 -4.31 1.61 8.25 -1.26 -4.84 115.22 110.27 2r1t n HIS 138 Ca -0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 2r1t n HIS 138 Cb 0.59 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.92 1.50 -0.15 4.41 2.02 -1.26 -0.06 117.35 120.88 2r1t s TYR 139 Ca 0.16 -1.14 -0.01 0.00 -0.37 0.00 0.00 57.07 55.72 2r1t s TYR 139 Cb 0.19 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 2r1t s TYR 139 CO 0.54 -0.29 -0.12 0.99 -1.57 0.00 0.00 175.55 175.09 2r1t s THR 140 N -3.71 2.98 0.32 -0.71 2.01 -0.90 -4.96 115.64 110.66 2r1t s THR 140 Ca 0.35 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 2r1t s THR 140 Cb 0.07 -2.27 -0.10 0.00 0.01 0.00 0.00 72.50 70.22 2r1t s THR 140 CO 0.12 0.51 0.90 -0.47 -0.69 0.00 0.00 174.62 174.99 2r1t s TYR 141 N 0.63 3.63 0.04 4.92 6.14 -1.26 -0.95 117.35 130.50 2r1t s TYR 141 Ca -0.07 1.69 0.03 0.00 0.64 0.00 0.00 57.07 59.36 2r1t s TYR 141 Cb -0.15 -2.86 -0.02 0.00 0.42 0.00 0.00 41.96 39.35 2r1t s TYR 141 CO 0.03 0.19 -0.10 0.45 0.64 0.00 0.00 175.55 176.76 2r1t s SER 142 N -1.70 1.18 0.00 4.32 0.15 0.44 -4.85 113.70 113.23 2r1t s SER 142 Ca 0.50 -0.45 0.24 0.00 0.70 0.00 0.00 55.95 56.94 2r1t s SER 142 Cb -0.17 -0.04 0.26 0.00 -1.71 0.00 0.00 66.02 64.36 2r1t s SER 142 CO 0.22 -0.07 1.29 -0.62 1.20 0.00 0.00 173.24 175.27 2r1t n GLU 143 N 1.82 2.15 -1.77 5.44 -0.58 -1.26 -4.36 120.64 122.09 2r1t n GLU 143 Ca -0.19 -1.74 -0.41 0.00 -0.42 0.00 0.00 57.16 54.39 2r1t n GLU 143 Cb 0.55 -1.46 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 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 1.10 3.58 0.16 1.62 5.03 -1.26 -4.88 115.26 120.61 2r1t n ASN 144 Ca 0.14 1.19 0.06 0.00 0.87 0.00 0.00 54.58 56.84 2r1t n ASN 144 Cb 0.56 -1.61 0.54 0.00 -1.02 0.00 0.00 39.78 38.26 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 2.72 0.21 -3.56 3.52 3.08 -1.95 -3.40 114.38 115.00 2r1t h ARG 145 Ca -0.50 -0.02 -0.33 0.00 0.07 0.00 0.00 59.98 59.20 2r1t h ARG 145 Cb 1.25 -0.04 -0.35 0.00 0.08 0.00 0.00 29.97 30.91 2r1t h ARG 145 CO 0.63 0.16 -0.74 0.08 -1.07 0.00 0.00 179.97 179.03 2r1t s VAL 146 N -5.18 0.02 -0.10 2.04 1.01 -1.26 -3.08 120.40 113.86 2r1t s VAL 146 Ca -0.06 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2r1t s VAL 146 Cb 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.39 2r1t s VAL 146 CO 0.70 0.12 -0.19 -0.70 0.00 0.00 0.00 175.10 175.03 2r1t s GLU 147 N 1.23 2.51 -0.18 2.72 2.56 0.05 -5.00 118.70 122.58 2r1t s GLU 147 Ca -0.07 -0.68 -0.00 0.00 0.00 0.00 0.00 54.97 54.21 2r1t s GLU 147 Cb -0.13 -1.98 0.05 0.00 2.00 0.00 0.00 34.13 34.07 2r1t s GLU 147 CO -0.03 0.07 -0.05 0.21 -0.56 0.00 0.00 175.26 174.90 2r1t s LYS 148 N 0.60 1.46 -0.46 4.30 2.20 -1.26 -0.14 119.74 126.45 2r1t s LYS 148 Ca -0.14 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 54.88 2r1t s LYS 148 Cb -0.17 -2.16 0.12 0.00 -1.51 0.00 0.00 37.83 34.11 2r1t s LYS 148 CO 0.04 -0.48 0.19 0.34 -0.36 0.00 0.00 175.35 175.09 2r1t s ASP 149 N 1.59 4.53 1.66 1.43 3.68 -0.43 -5.00 116.67 124.12 2r1t s ASP 149 Ca -0.01 -2.69 0.00 0.00 2.13 0.00 0.00 52.55 51.99 2r1t s ASP 149 Cb -0.16 -1.65 0.00 0.00 -1.45 0.00 0.00 42.92 39.66 2r1t s ASP 149 CO -0.07 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 175.54 2r1t n GLY 150 N 3.56 3.55 1.04 2.66 0.00 -1.26 -2.28 105.19 112.45 2r1t n GLY 150 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 3.01 -4.18 0.99 4.77 -1.26 -4.78 117.00 115.55 2r1t n LEU 151 Ca 0.00 -1.51 -0.35 0.00 -0.03 0.00 0.00 56.01 54.12 2r1t n LEU 151 Cb 0.00 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2r1t n LEU 151 CO 0.00 0.64 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.70 2r1t s ILE 152 N -1.49 2.93 -0.20 -0.08 -1.09 -0.96 -0.98 121.20 119.32 2r1t s ILE 152 Ca 0.35 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2r1t s ILE 152 Cb 0.20 -2.63 0.01 0.00 -1.58 0.00 0.00 42.46 38.45 2r1t s ILE 152 CO 0.21 -0.02 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.56 2r1t s LEU 153 N 1.27 2.51 0.23 2.97 0.20 0.03 -1.31 118.68 124.58 2r1t s LEU 153 Ca -0.04 -0.52 0.09 0.00 0.69 0.00 0.00 54.13 54.36 2r1t s LEU 153 Cb -0.19 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 2r1t s LEU 153 CO -0.02 -0.00 -0.17 0.42 -0.29 0.00 0.00 176.35 176.29 2r1t s THR 154 N 1.34 2.03 0.25 3.68 -4.23 0.80 -0.98 115.64 118.54 2r1t s THR 154 Ca 0.05 -2.26 -0.03 0.00 -1.18 0.00 0.00 61.69 58.26 2r1t s THR 154 Cb -0.14 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 2r1t s THR 154 CO -0.08 -0.49 0.29 -0.55 -0.54 0.00 0.00 174.62 173.25 2r1t s SER 155 N -3.32 0.37 -0.18 3.99 0.15 -0.76 -0.77 113.70 113.18 2r1t s SER 155 Ca 0.25 -1.32 0.07 0.00 0.70 0.00 0.00 55.95 55.65 2r1t s SER 155 Cb -0.03 0.50 -0.22 0.00 -1.71 0.00 0.00 66.02 64.55 2r1t s SER 155 CO 0.10 -1.01 0.14 0.54 1.20 0.00 0.00 173.24 174.21 2r1t n ARG 156 N -0.38 0.68 -2.02 5.44 1.74 -1.18 -1.05 116.66 119.90 2r1t n ARG 156 Ca 0.02 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2r1t n ARG 156 Cb 0.64 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.92 0.65 0.33 -0.13 0.00 -1.26 -2.81 105.19 103.89 2r1t n GLY 157 Ca -0.34 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 0.68 0.00 1.61 0.11 -1.98 0.11 132.00 132.53 2r1t h PRO 158 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2r1t h PRO 158 Cb 0.11 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2r1t h PRO 158 CO 0.03 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 2r1t n GLY 159 N -1.33 -0.90 0.35 -0.55 0.00 -1.26 -1.96 105.19 99.54 2r1t n GLY 159 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.48 0.55 -0.29 2.61 -2.24 0.35 -4.73 114.28 109.05 2r1t n THR 160 Ca 0.03 -0.78 0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2r1t n THR 160 Cb 0.14 0.79 0.23 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.34 0.92 -0.28 3.42 0.02 -0.90 -0.67 113.55 117.40 2r1t h SER 161 Ca 0.00 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2r1t h SER 161 Cb 0.49 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2r1t h SER 161 CO 0.00 0.62 -0.14 -0.26 -1.14 0.00 0.00 176.83 175.91 2r1t h PHE 162 N 1.06 0.69 -0.80 3.45 -1.00 -1.85 -0.26 116.94 118.23 2r1t h PHE 162 Ca 0.36 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.98 2r1t h PHE 162 Cb 0.10 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 2r1t h PHE 162 CO -0.00 0.84 0.53 0.93 -1.61 0.00 0.00 178.31 178.99 2r1t h GLU 163 N 0.34 1.06 0.26 1.51 5.08 -1.82 0.71 114.58 121.71 2r1t h GLU 163 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2r1t h GLU 163 Cb 0.66 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2r1t h GLU 163 CO 0.04 0.70 -0.13 0.35 -1.00 0.00 0.00 179.01 178.98 2r1t h PHE 164 N 1.09 -0.33 -0.66 4.33 3.57 -0.99 -1.02 116.94 122.93 2r1t h PHE 164 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2r1t h PHE 164 Cb -0.12 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2r1t h PHE 164 CO -0.02 -0.19 0.38 0.00 -2.23 0.00 0.00 178.31 176.25 2r1t h ALA 165 N 0.37 0.84 0.00 2.41 0.00 -0.71 -2.05 119.26 120.12 2r1t h ALA 165 Ca -0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2r1t h ALA 165 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2r1t h ALA 165 CO 0.06 0.33 -0.29 -0.07 0.00 0.00 0.00 179.25 179.29 2r1t h LEU 166 N 0.90 0.00 -0.47 0.00 3.38 -0.75 -1.52 115.31 116.85 2r1t h LEU 166 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 2r1t h LEU 166 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2r1t h LEU 166 CO -0.04 0.29 -0.51 0.00 0.09 0.00 0.00 178.44 178.26 2r1t h ALA 167 N 1.71 0.65 -0.24 1.53 0.00 -0.62 -1.32 119.26 120.98 2r1t h ALA 167 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2r1t h ALA 167 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2r1t h ALA 167 CO 0.04 0.68 0.05 0.82 0.00 0.00 0.00 179.25 180.84 2r1t h ILE 168 N 0.53 1.22 -0.58 0.00 2.04 -0.88 -1.76 117.51 118.08 2r1t h ILE 168 Ca 0.02 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2r1t h ILE 168 Cb 1.08 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2r1t h ILE 168 CO 0.10 0.23 0.32 0.58 0.00 0.00 0.00 178.15 179.39 2r1t h VAL 169 N 0.20 1.00 -0.63 1.67 2.07 -1.15 -1.25 116.25 118.15 2r1t h VAL 169 Ca 0.07 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2r1t h VAL 169 Cb 0.30 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2r1t h VAL 169 CO 0.00 0.11 0.19 -0.08 0.02 0.00 0.00 177.57 177.81 2r1t h GLU 170 N 0.62 0.96 -0.10 1.57 4.81 -1.11 0.39 114.58 121.73 2r1t h GLU 170 Ca 0.25 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2r1t h GLU 170 Cb 0.11 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2r1t h GLU 170 CO -0.15 0.83 -0.37 0.00 -0.73 0.00 0.00 179.01 178.60 2r1t h ALA 171 N 1.27 1.21 0.04 2.92 0.00 -0.64 -0.94 119.26 123.11 2r1t h ALA 171 Ca 0.21 -0.37 -0.38 0.00 0.00 0.00 0.00 54.91 54.36 2r1t h ALA 171 Cb 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2r1t h ALA 171 CO -0.01 0.54 -2.21 1.28 0.00 0.00 0.00 179.25 178.85 2r1t n LEU 172 N -4.07 2.56 -0.37 0.00 4.32 -0.53 -4.69 117.00 114.22 2r1t n LEU 172 Ca -0.01 0.11 0.05 0.00 -0.02 0.00 0.00 56.01 56.14 2r1t n LEU 172 Cb 0.44 -0.96 0.04 0.00 -1.62 0.00 0.00 43.42 41.31 2r1t n LEU 172 CO 0.41 0.77 0.38 0.59 -1.22 0.00 0.00 177.39 178.32 2r1t n ASN 173 N -3.64 1.74 0.00 -1.43 5.03 0.13 -5.00 115.26 112.10 2r1t n ASN 173 Ca -0.42 -1.37 0.00 0.00 0.87 0.00 0.00 54.58 53.66 2r1t n ASN 173 Cb 0.95 0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.76 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 1.05 0.24 7.41 0.00 -0.36 -4.46 105.19 109.66 2r1t n GLY 174 Ca 0.05 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.41 2r1t n GLY 174 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2r1t h LYS 175 N 0.00 0.00 -0.13 1.61 2.10 -1.88 -2.63 116.57 115.65 2r1t h LYS 175 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2r1t h LYS 175 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2r1t h LYS 175 CO 0.00 0.01 -0.03 1.49 -2.00 0.00 0.00 179.45 178.92 2r1t h GLU 176 N 0.00 0.24 -0.79 0.07 4.81 -1.96 -0.46 114.58 116.50 2r1t h GLU 176 Ca -0.00 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2r1t h GLU 176 Cb 0.79 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2r1t h GLU 176 CO 0.00 0.53 0.32 0.28 -0.73 0.00 0.00 179.01 179.41 2r1t h VAL 177 N -0.06 1.26 -0.61 0.32 2.07 -1.77 -1.46 116.25 116.01 2r1t h VAL 177 Ca 0.03 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2r1t h VAL 177 Cb 0.44 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2r1t h VAL 177 CO 0.01 0.33 0.38 0.00 0.02 0.00 0.00 177.57 178.31 2r1t h ALA 178 N 1.17 0.78 -0.49 1.67 0.00 -1.26 -0.05 119.26 121.08 2r1t h ALA 178 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2r1t h ALA 178 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2r1t h ALA 178 CO -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 2r1t h ALA 179 N 1.26 1.07 -0.50 0.00 0.00 -0.69 -0.29 119.26 120.10 2r1t h ALA 179 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2r1t h ALA 179 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2r1t h ALA 179 CO -0.09 0.58 -0.01 1.96 0.00 0.00 0.00 179.25 181.69 2r1t h GLN 180 N 0.76 0.89 -0.26 0.00 4.20 -0.53 -2.63 115.11 117.54 2r1t h GLN 180 Ca 0.15 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 2r1t h GLN 180 Cb 0.47 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2r1t h GLN 180 CO 0.02 0.93 -0.43 0.28 -0.67 0.00 0.00 178.83 178.96 2r1t h VAL 181 N 0.75 1.30 -0.17 -0.54 2.07 -0.83 -3.31 116.25 115.52 2r1t h VAL 181 Ca 0.14 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2r1t h VAL 181 Cb 0.53 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2r1t h VAL 181 CO 0.03 0.51 0.04 0.50 0.02 0.00 0.00 177.57 178.67 2r1t h LYS 182 N 0.52 0.27 -0.76 1.57 3.64 -0.91 -3.35 116.57 117.55 2r1t h LYS 182 Ca 0.04 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2r1t h LYS 182 Cb 0.96 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.61 2r1t h LYS 182 CO 0.09 0.41 -0.31 0.00 -2.27 0.00 0.00 179.45 177.37 2r1t h ALA 183 N 0.85 0.18 0.00 5.00 0.00 -1.56 -0.44 119.26 123.29 2r1t h ALA 183 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2r1t h ALA 183 Cb 0.26 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2r1t h ALA 183 CO 0.00 -0.58 0.00 -2.30 0.00 0.00 0.00 179.25 176.37 2r1t n PRO 184 N -5.47 0.07 0.23 0.00 -0.02 -1.26 -3.04 135.00 125.52 2r1t n PRO 184 Ca 0.08 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2r1t n PRO 184 Cb 0.38 -1.66 0.39 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.41 2.45 3.38 -1.23 -3.47 115.31 115.02 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 0.21 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.09 2r1t h LEU 185 CO 0.00 0.07 -0.62 0.52 0.09 0.00 0.00 178.44 178.50 2r1t n VAL 186 N -3.15 -4.17 -2.52 1.22 0.31 -1.17 -5.00 118.33 103.86 2r1t n VAL 186 Ca 0.02 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 2r1t n VAL 186 Cb 0.45 -4.26 -0.03 0.00 -0.91 0.00 0.00 33.84 29.10 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 -5.90 3.65 0.00 7.52 1.43 -1.26 -5.18 118.68 118.93 2r1t s LEU 187 Ca 0.17 1.35 0.30 0.00 -1.03 0.00 0.00 54.13 54.93 2r1t s LEU 187 Cb -0.08 -4.28 1.57 0.00 0.03 0.00 0.00 46.19 43.43 2r1t s LEU 187 CO 0.62 -0.55 2.04 1.17 0.23 0.00 0.00 176.35 179.85