#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c91 n LEU 4 N 0.00 0.00 -4.81 1.53 7.94 -1.26 -4.82 117.00 115.58 2c91 n LEU 4 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 2c91 n LEU 4 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2c91 n LEU 4 CO 0.00 0.00 0.71 -0.13 -1.11 0.00 0.00 177.39 176.86 2c91 s ARG 5 N -2.22 3.34 0.68 1.96 0.52 -1.26 -2.98 118.95 118.99 2c91 s ARG 5 Ca 0.00 1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 56.20 2c91 s ARG 5 Cb 0.00 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.44 2c91 s ARG 5 CO 0.00 -0.79 1.24 -2.14 0.02 0.00 0.00 175.30 173.63 2c91 s PRO 6 N -4.16 2.39 0.98 3.54 0.02 -1.26 -4.28 135.00 132.23 2c91 s PRO 6 Ca 0.63 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 2c91 s PRO 6 Cb -0.15 -1.85 0.18 0.00 0.02 0.00 0.00 34.50 32.69 2c91 s PRO 6 CO 0.38 -1.67 1.11 0.00 -0.33 0.00 0.00 177.00 176.49 2c91 s ALA 7 N -1.73 1.17 -0.10 -1.55 0.00 -0.29 -4.80 121.76 114.46 2c91 s ALA 7 Ca 0.78 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2c91 s ALA 7 Cb -0.32 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2c91 s ALA 7 CO 0.42 -2.69 -0.19 0.99 0.00 0.00 0.00 175.76 174.28 2c91 s THR 8 N -3.06 1.75 0.02 0.00 2.01 -1.26 -0.48 115.64 114.63 2c91 s THR 8 Ca 0.65 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2c91 s THR 8 Cb -0.17 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2c91 s THR 8 CO 0.56 0.49 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.11 2c91 s VAL 9 N 0.62 2.73 -0.27 3.82 1.01 0.03 -4.45 120.40 123.88 2c91 s VAL 9 Ca -0.13 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.62 2c91 s VAL 9 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2c91 s VAL 9 CO 0.04 0.42 0.31 -0.22 0.00 0.00 0.00 175.10 175.65 2c91 s LEU 10 N -1.19 4.04 0.21 3.92 2.96 -0.40 -0.66 118.68 127.56 2c91 s LEU 10 Ca 0.13 0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 2c91 s LEU 10 Cb -0.10 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 2c91 s LEU 10 CO 0.03 -0.14 1.03 -0.83 -1.32 0.00 0.00 176.35 175.12 2c91 s GLY 11 N 1.68 3.01 -0.04 7.98 0.00 0.08 -0.85 107.32 119.18 2c91 s GLY 11 Ca 0.12 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.63 2c91 s GLY 11 CO 0.10 1.45 1.01 -1.30 0.00 0.00 0.00 173.10 174.36 2c91 n THR 12 N 1.90 1.16 -0.21 0.90 -2.24 -0.76 -4.73 114.28 110.30 2c91 n THR 12 Ca 0.00 -1.26 0.17 0.00 -2.27 0.00 0.00 64.05 60.69 2c91 n THR 12 Cb 0.47 0.32 0.51 0.00 -2.10 0.00 0.00 70.33 69.53 2c91 n THR 12 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2c91 h MET 13 N 0.00 0.40 -0.01 -0.78 1.85 -1.91 -2.23 114.93 112.25 2c91 h MET 13 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2c91 h MET 13 Cb 0.70 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.64 2c91 h MET 13 CO 0.00 0.27 -0.15 0.39 -0.40 0.00 0.00 176.91 177.02 2c91 n GLU 14 N -4.49 1.35 -2.15 0.39 -0.58 -1.26 -4.69 120.64 109.21 2c91 n GLU 14 Ca 0.17 -0.86 -0.43 0.00 -0.42 0.00 0.00 57.16 55.62 2c91 n GLU 14 Cb 0.62 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.98 2c91 n GLU 14 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2c91 s MET 15 N -2.25 3.48 0.00 3.49 -1.94 -0.84 -1.24 119.30 120.00 2c91 s MET 15 Ca 0.30 1.27 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 2c91 s MET 15 Cb 0.20 -4.11 0.00 0.00 2.01 0.00 0.00 34.83 32.93 2c91 s MET 15 CO 0.43 -1.68 0.00 0.41 -0.01 0.00 0.00 175.02 174.16 2c91 n GLY 16 N 5.21 0.33 0.00 -0.03 0.00 0.88 -2.65 105.19 108.93 2c91 n GLY 16 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2c91 n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2c91 n ARG 17 N -1.70 0.00 0.00 1.61 0.63 -0.37 -4.86 116.66 111.97 2c91 n ARG 17 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2c91 n ARG 17 Cb 0.00 0.00 0.47 0.00 0.45 0.00 0.00 32.46 33.38 2c91 n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2c91 n ARG 18 N -0.21 0.21 -4.70 -0.14 5.12 -1.06 -4.76 116.66 111.13 2c91 n ARG 18 Ca 0.00 -0.08 -0.33 0.00 -1.93 0.00 0.00 57.85 55.51 2c91 n ARG 18 Cb 0.00 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 29.64 2c91 n ARG 18 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2c91 s MET 19 N -2.84 3.05 0.94 5.56 -1.94 -0.46 -4.87 119.30 118.74 2c91 s MET 19 Ca 0.17 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 53.18 2c91 s MET 19 Cb 0.19 -2.45 0.21 0.00 2.01 0.00 0.00 34.83 34.78 2c91 s MET 19 CO 0.58 0.01 1.28 0.16 -0.01 0.00 0.00 175.02 177.04 2c91 s ASP 20 N 0.77 3.15 0.38 3.03 -4.77 -1.26 -0.09 116.67 117.89 2c91 s ASP 20 Ca -0.08 0.03 0.06 0.00 -3.30 0.00 0.00 52.55 49.26 2c91 s ASP 20 Cb -0.16 -0.06 0.77 0.00 -1.09 0.00 0.00 42.92 42.38 2c91 s ASP 20 CO -0.01 -2.69 1.99 0.00 0.70 0.00 0.00 175.17 175.16 2c91 h ALA 21 N -1.50 1.58 0.05 2.11 0.00 -1.98 -1.12 119.26 118.39 2c91 h ALA 21 Ca -0.42 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 2c91 h ALA 21 Cb 1.23 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.88 2c91 h ALA 21 CO 0.34 0.33 -0.97 1.03 0.00 0.00 0.00 179.25 179.98 2c91 h SER 22 N 0.52 0.77 -0.57 0.00 0.87 -1.99 -1.10 113.55 112.05 2c91 h SER 22 Ca 0.13 -0.79 -0.03 0.00 -1.23 0.00 0.00 61.79 59.87 2c91 h SER 22 Cb 0.10 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2c91 h SER 22 CO -0.01 1.47 0.24 0.00 -0.53 0.00 0.00 176.83 178.00 2c91 h ALA 23 N 0.32 1.29 -0.30 6.23 0.00 -1.89 -2.33 119.26 122.59 2c91 h ALA 23 Ca -0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2c91 h ALA 23 Cb 1.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2c91 h ALA 23 CO 0.19 0.53 -0.05 0.77 0.00 0.00 0.00 179.25 180.68 2c91 h SER 24 N 0.87 0.56 -0.59 0.00 0.02 -1.11 -1.91 113.55 111.39 2c91 h SER 24 Ca 0.21 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2c91 h SER 24 Cb 0.16 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2c91 h SER 24 CO -0.02 0.78 0.16 0.00 -1.14 0.00 0.00 176.83 176.61 2c91 h ALA 25 N 0.80 1.11 -0.67 3.77 0.00 -1.04 -1.56 119.26 121.67 2c91 h ALA 25 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2c91 h ALA 25 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2c91 h ALA 25 CO 0.03 0.60 0.30 0.00 0.00 0.00 0.00 179.25 180.17 2c91 h ALA 26 N 1.24 0.87 -0.24 0.00 0.00 -1.38 -1.82 119.26 117.94 2c91 h ALA 26 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2c91 h ALA 26 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2c91 h ALA 26 CO -0.00 0.47 -0.10 0.77 0.00 0.00 0.00 179.25 180.38 2c91 h SER 27 N 0.95 0.51 -0.30 0.00 0.02 -0.84 -0.69 113.55 113.19 2c91 h SER 27 Ca 0.23 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2c91 h SER 27 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2c91 h SER 27 CO -0.02 0.79 0.19 0.58 -1.14 0.00 0.00 176.83 177.23 2c91 h VAL 28 N 0.22 1.05 -0.55 2.27 2.07 -1.26 -0.20 116.25 119.85 2c91 h VAL 28 Ca 0.06 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2c91 h VAL 28 Cb 0.59 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2c91 h VAL 28 CO 0.03 0.07 0.22 -0.09 0.02 0.00 0.00 177.57 177.82 2c91 h ARG 29 N 0.38 0.40 -0.73 1.57 2.43 -1.16 0.11 114.38 117.38 2c91 h ARG 29 Ca 0.12 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2c91 h ARG 29 Cb -0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2c91 h ARG 29 CO -0.04 0.26 0.22 0.00 -1.51 0.00 0.00 179.97 178.90 2c91 h ALA 30 N 1.36 0.96 -0.14 2.80 0.00 -0.76 -0.95 119.26 122.53 2c91 h ALA 30 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2c91 h ALA 30 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2c91 h ALA 30 CO -0.25 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.05 2c91 h PHE 31 N 1.08 0.20 -0.27 0.00 3.57 -0.35 -3.02 116.94 118.15 2c91 h PHE 31 Ca 0.23 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 2c91 h PHE 31 Cb 0.32 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2c91 h PHE 31 CO 0.03 0.27 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.99 2c91 h LEU 32 N 0.08 0.59 -2.06 0.59 3.38 -0.66 -2.64 115.31 114.59 2c91 h LEU 32 Ca 0.05 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2c91 h LEU 32 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2c91 h LEU 32 CO -0.00 0.87 0.17 -0.33 0.09 0.00 0.00 178.44 179.24 2c91 h GLU 33 N 0.49 0.00 0.00 1.13 5.08 -1.13 0.98 114.58 121.13 2c91 h GLU 33 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2c91 h GLU 33 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2c91 h GLU 33 CO 0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.61 2c91 n ARG 34 N -4.33 0.99 -0.38 2.33 5.12 -1.00 -4.89 116.66 114.50 2c91 n ARG 34 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2c91 n ARG 34 Cb 0.32 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 2c91 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c91 n GLY 35 N 0.95 0.76 3.92 -0.13 0.00 0.34 -5.07 105.19 105.96 2c91 n GLY 35 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2c91 n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c91 s HIS 36 N -2.32 2.89 0.00 1.61 3.76 -1.22 -5.04 115.29 114.96 2c91 s HIS 36 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 2c91 s HIS 36 Cb 0.00 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.39 2c91 s HIS 36 CO 0.00 -1.55 0.00 -1.13 -0.85 0.00 0.00 174.74 171.21 2c91 n SER 37 N -3.06 0.00 -4.73 1.40 3.41 -1.26 -4.46 113.62 104.92 2c91 n SER 37 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 2c91 n SER 37 Cb 0.61 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 2c91 n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2c91 s GLU 38 N 0.00 3.38 -0.01 4.33 2.02 -1.26 -0.92 118.70 126.23 2c91 s GLU 38 Ca 0.00 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 54.75 2c91 s GLU 38 Cb 0.00 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2c91 s GLU 38 CO 0.00 0.62 -0.18 -0.51 0.02 0.00 0.00 175.26 175.20 2c91 s LEU 39 N -0.61 2.53 -0.18 1.80 1.43 -0.13 -1.28 118.68 122.24 2c91 s LEU 39 Ca 0.11 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2c91 s LEU 39 Cb -0.12 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2c91 s LEU 39 CO 0.02 0.31 -0.17 -0.62 0.23 0.00 0.00 176.35 176.12 2c91 s ASP 40 N -0.95 3.16 0.00 2.29 2.15 -0.03 -1.03 116.67 122.26 2c91 s ASP 40 Ca 0.12 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.41 2c91 s ASP 40 Cb -0.10 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 2c91 s ASP 40 CO 0.02 -0.04 0.00 1.07 -0.17 0.00 0.00 175.17 176.05 2c91 n THR 41 N 4.64 0.00 -3.58 1.71 5.66 -0.19 -1.83 114.28 120.69 2c91 n THR 41 Ca -0.19 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.66 2c91 n THR 41 Cb 0.49 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 2c91 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c91 s ALA 42 N -2.00 -1.41 0.35 1.79 0.00 -1.26 -3.96 121.76 115.26 2c91 s ALA 42 Ca 0.00 0.79 0.10 0.00 0.00 0.00 0.00 51.96 52.85 2c91 s ALA 42 Cb 0.00 0.24 0.85 0.00 0.00 0.00 0.00 23.12 24.21 2c91 s ALA 42 CO 0.00 -0.44 1.81 0.35 0.00 0.00 0.00 175.76 177.48 2c91 h PHE 43 N 2.96 0.88 -0.55 0.00 3.57 -1.81 -2.49 116.94 119.50 2c91 h PHE 43 Ca -0.30 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.20 2c91 h PHE 43 Cb 1.19 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2c91 h PHE 43 CO 0.38 0.22 0.21 1.98 -2.23 0.00 0.00 178.31 178.88 2c91 h MET 44 N 0.65 0.80 -6.32 1.11 4.05 -1.96 -3.28 114.93 109.98 2c91 h MET 44 Ca 0.53 -0.12 -0.55 0.00 -0.28 0.00 0.00 59.70 59.28 2c91 h MET 44 Cb 0.97 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2c91 h MET 44 CO -0.29 0.66 0.97 0.71 0.23 0.00 0.00 176.91 179.19 2c91 s TYR 45 N -5.35 2.43 -1.48 1.39 2.02 -0.94 -2.94 117.35 112.47 2c91 s TYR 45 Ca -0.10 0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 57.03 2c91 s TYR 45 Cb 0.16 -3.80 0.02 0.00 -0.40 0.00 0.00 41.96 37.94 2c91 s TYR 45 CO 0.78 -3.19 0.76 0.00 -1.57 0.00 0.00 175.55 172.34 2c91 n ASP 47 N -2.64 -6.05 0.00 0.00 2.03 -1.15 -1.72 116.55 107.02 2c91 n ASP 47 Ca -0.06 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2c91 n ASP 47 Cb 0.59 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.02 2c91 n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2c91 n GLY 48 N -1.24 0.61 0.13 0.27 0.00 -0.58 -4.97 105.19 99.41 2c91 n GLY 48 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 2c91 n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2c91 h GLN 49 N 4.08 0.00 -0.13 1.61 1.08 -1.19 -1.83 115.11 118.72 2c91 h GLN 49 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2c91 h GLN 49 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2c91 h GLN 49 CO 0.00 0.63 0.08 1.03 -0.95 0.00 0.00 178.83 179.61 2c91 h SER 50 N 0.00 0.16 -0.65 1.46 0.87 -1.49 0.64 113.55 114.54 2c91 h SER 50 Ca -0.01 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2c91 h SER 50 Cb 1.23 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2c91 h SER 50 CO 0.08 0.18 0.10 -0.33 -0.53 0.00 0.00 176.83 176.34 2c91 h GLU 51 N 0.13 1.08 -0.35 2.24 5.08 -1.79 -1.68 114.58 119.30 2c91 h GLU 51 Ca 0.05 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2c91 h GLU 51 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2c91 h GLU 51 CO -0.01 1.00 0.19 -0.91 -1.00 0.00 0.00 179.01 178.28 2c91 h ASN 52 N 1.00 0.44 -0.17 1.42 -0.26 -0.98 0.67 115.58 117.70 2c91 h ASN 52 Ca 0.20 -0.09 0.03 0.00 -0.56 0.00 0.00 56.30 55.87 2c91 h ASN 52 Cb 0.44 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 2c91 h ASN 52 CO 0.01 0.40 0.01 0.40 -1.06 0.00 0.00 177.43 177.20 2c91 h ILE 53 N 0.43 0.89 -0.72 2.81 2.04 -0.80 -2.37 117.51 119.80 2c91 h ILE 53 Ca 0.12 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 2c91 h ILE 53 Cb 0.07 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2c91 h ILE 53 CO -0.02 0.01 0.18 -0.07 0.00 0.00 0.00 178.15 178.25 2c91 h LEU 54 N 0.07 1.09 -2.18 1.44 3.38 -1.09 -2.58 115.31 115.45 2c91 h LEU 54 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2c91 h LEU 54 Cb 0.09 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2c91 h LEU 54 CO -0.13 1.04 -0.07 1.23 0.09 0.00 0.00 178.44 180.60 2c91 h GLY 55 N 1.09 0.00 -0.49 0.83 0.00 -0.70 -2.53 103.07 101.28 2c91 h GLY 55 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2c91 h GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2c91 n GLY 56 N -0.95 0.03 0.01 4.60 0.00 -0.91 -4.31 105.19 103.67 2c91 n GLY 56 Ca -0.02 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.72 2c91 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c91 n LEU 57 N 0.16 0.07 -1.08 0.99 4.77 -0.95 -4.92 117.00 116.04 2c91 n LEU 57 Ca 0.18 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 2c91 n LEU 57 Cb 0.34 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2c91 n LEU 57 CO 0.16 0.01 -0.08 0.61 -1.33 0.00 0.00 177.39 176.76 2c91 n GLY 58 N 1.34 0.07 0.08 -0.72 0.00 -1.26 -4.94 105.19 99.76 2c91 n GLY 58 Ca 0.13 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.78 2c91 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c91 n LEU 59 N -1.38 0.56 -3.56 0.99 4.77 -1.26 -4.95 117.00 112.17 2c91 n LEU 59 Ca -0.09 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.68 2c91 n LEU 59 Cb 0.57 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2c91 n LEU 59 CO 0.14 0.12 0.17 0.61 -1.33 0.00 0.00 177.39 177.10 2c91 n GLY 60 N 1.43 -0.46 3.77 -0.72 0.00 -1.26 -4.88 105.19 103.07 2c91 n GLY 60 Ca 0.09 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2c91 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c91 s LEU 61 N -6.91 4.36 0.00 0.99 1.43 -1.26 -2.53 118.68 114.75 2c91 s LEU 61 Ca 0.33 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 2c91 s LEU 61 Cb -0.15 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2c91 s LEU 61 CO 0.74 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2c91 n GLY 62 N 0.62 0.47 2.87 -3.19 0.00 -1.25 -4.28 105.19 100.44 2c91 n GLY 62 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2c91 n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c91 n SER 63 N -0.19 5.96 -1.50 1.61 3.41 -1.05 -4.42 113.62 117.44 2c91 n SER 63 Ca 0.00 -3.44 -0.19 0.00 -0.26 0.00 0.00 58.87 54.97 2c91 n SER 63 Cb 0.10 -1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 62.88 2c91 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c91 n GLY 64 N 1.12 -0.13 0.14 5.00 0.00 -1.26 -3.27 105.19 106.80 2c91 n GLY 64 Ca 0.28 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2c91 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c91 n ASP 65 N 0.51 -0.07 -3.68 1.61 9.92 -1.26 -5.12 116.55 118.47 2c91 n ASP 65 Ca 0.07 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.23 2c91 n ASP 65 Cb 0.03 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.37 2c91 n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2c91 h THR 67 N 5.77 1.48 -3.31 0.00 2.02 -1.92 -3.46 112.91 113.49 2c91 h THR 67 Ca -0.28 -2.51 -0.55 0.00 0.77 0.00 0.00 66.41 63.85 2c91 h THR 67 Cb 1.16 3.12 -0.02 0.00 -1.74 0.00 0.00 68.15 70.66 2c91 h THR 67 CO 0.22 0.72 0.48 -0.69 0.37 0.00 0.00 175.52 176.61 2c91 s VAL 68 N -2.54 4.68 -0.11 3.16 1.01 -1.26 -4.88 120.40 120.47 2c91 s VAL 68 Ca -0.13 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 2c91 s VAL 68 Cb 0.02 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2c91 s VAL 68 CO 0.84 0.10 -0.01 -0.54 0.00 0.00 0.00 175.10 175.50 2c91 s LYS 69 N 1.39 3.19 -0.08 2.72 -0.14 -0.10 -4.65 119.74 122.06 2c91 s LYS 69 Ca 0.52 -0.44 0.04 0.00 -1.36 0.00 0.00 55.97 54.73 2c91 s LYS 69 Cb -0.22 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.08 2c91 s LYS 69 CO 0.25 0.56 -0.19 -1.50 -0.76 0.00 0.00 175.35 173.71 2c91 s ILE 70 N -0.50 2.56 -0.07 2.17 1.10 -1.26 -0.96 121.20 124.24 2c91 s ILE 70 Ca 0.09 -0.87 0.03 0.00 -0.51 0.00 0.00 60.65 59.39 2c91 s ILE 70 Cb -0.12 -2.00 -0.02 0.00 0.15 0.00 0.00 42.46 40.47 2c91 s ILE 70 CO 0.02 0.56 -0.17 0.00 -2.11 0.00 0.00 174.94 173.24 2c91 s ALA 71 N -0.11 2.52 0.40 1.50 0.00 -0.20 -1.61 121.76 124.27 2c91 s ALA 71 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2c91 s ALA 71 Cb -0.14 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2c91 s ALA 71 CO 0.04 0.44 0.17 -2.37 0.00 0.00 0.00 175.76 174.04 2c91 n THR 72 N 2.78 0.00 -3.77 0.00 5.66 -0.40 -1.02 114.28 117.53 2c91 n THR 72 Ca -0.17 -2.42 -0.13 0.00 -3.05 0.00 0.00 64.05 58.28 2c91 n THR 72 Cb 0.52 0.92 -0.10 0.00 -1.55 0.00 0.00 70.33 70.12 2c91 n THR 72 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2c91 s LYS 73 N -3.55 0.44 -0.04 1.09 1.02 -1.25 -0.78 119.74 116.67 2c91 s LYS 73 Ca 0.24 0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.47 2c91 s LYS 73 Cb 0.01 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2c91 s LYS 73 CO 0.17 -0.08 0.07 0.00 -0.92 0.00 0.00 175.35 174.59 2c91 s ALA 74 N -0.23 3.54 0.14 5.17 0.00 -0.65 -2.17 121.76 127.55 2c91 s ALA 74 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2c91 s ALA 74 Cb -0.03 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2c91 s ALA 74 CO 0.01 0.66 -0.09 0.54 0.00 0.00 0.00 175.76 176.88 2c91 s ASN 75 N -1.45 1.64 0.00 0.00 2.20 -1.26 -0.90 114.94 115.17 2c91 s ASN 75 Ca 0.20 -1.01 0.23 0.00 -0.94 0.00 0.00 52.86 51.34 2c91 s ASN 75 Cb -0.12 0.01 0.63 0.00 -2.00 0.00 0.00 41.25 39.77 2c91 s ASN 75 CO 0.10 -0.36 1.50 -0.81 -2.94 0.00 0.00 177.10 174.59 2c91 n PRO 76 N -0.15 2.02 -1.31 3.55 -0.04 -1.26 -4.44 135.00 133.36 2c91 n PRO 76 Ca -0.11 -1.52 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 2c91 n PRO 76 Cb 0.61 -1.45 0.13 0.00 -0.04 0.00 0.00 33.50 32.75 2c91 n PRO 76 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2c91 s TRP 77 N -1.76 2.43 -1.42 0.54 0.51 -1.26 -1.54 118.94 116.43 2c91 s TRP 77 Ca 0.34 1.16 -0.07 0.00 -2.12 0.00 0.00 56.10 55.42 2c91 s TRP 77 Cb 0.20 -3.18 0.04 0.00 -0.81 0.00 0.00 33.47 29.71 2c91 s TRP 77 CO 0.29 -2.31 0.55 0.39 -0.51 0.00 0.00 176.95 175.37 2c91 n GLU 78 N -3.80 -4.19 -0.72 4.98 1.02 -1.26 -1.53 120.64 115.14 2c91 n GLU 78 Ca 0.07 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2c91 n GLU 78 Cb 0.56 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 2c91 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c91 n GLY 79 N -1.35 0.83 0.18 0.62 0.00 -1.25 -4.95 105.19 99.27 2c91 n GLY 79 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2c91 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c91 h LYS 80 N 3.35 0.54 -2.32 1.61 1.57 -1.14 -3.50 116.57 116.69 2c91 h LYS 80 Ca 0.00 -0.53 0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2c91 h LYS 80 Cb 0.00 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 2c91 h LYS 80 CO 0.00 1.16 -0.67 -1.13 -0.57 0.00 0.00 179.45 178.24 2c91 n SER 81 N -3.82 -5.82 -1.64 0.86 3.41 -0.59 -4.59 113.62 101.43 2c91 n SER 81 Ca -0.07 0.76 -0.11 0.00 -0.26 0.00 0.00 58.87 59.19 2c91 n SER 81 Cb 0.81 -3.23 0.21 0.00 -0.26 0.00 0.00 64.21 61.75 2c91 n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c91 n LEU 82 N -3.71 5.31 -4.73 1.04 4.77 -1.26 -4.34 117.00 114.08 2c91 n LEU 82 Ca -0.03 -3.60 -0.34 0.00 -0.03 0.00 0.00 56.01 52.00 2c91 n LEU 82 Cb 0.46 -0.72 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 2c91 n LEU 82 CO 0.02 1.09 0.80 -0.54 -1.33 0.00 0.00 177.39 177.43 2c91 s LYS 83 N -3.21 2.30 0.21 3.23 -0.14 -1.26 -4.35 119.74 116.53 2c91 s LYS 83 Ca 0.50 1.74 -0.18 0.00 -1.36 0.00 0.00 55.97 56.68 2c91 s LYS 83 Cb 0.43 -1.85 0.20 0.00 -1.68 0.00 0.00 37.83 34.92 2c91 s LYS 83 CO 0.06 -1.71 1.58 -1.35 -0.76 0.00 0.00 175.35 173.17 2c91 h PRO 84 N -0.11 -0.08 -0.37 -1.68 0.11 -1.92 -1.23 132.00 126.73 2c91 h PRO 84 Ca -0.48 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2c91 h PRO 84 Cb 1.29 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2c91 h PRO 84 CO 0.51 -0.05 0.15 -0.44 -0.21 0.00 0.00 178.00 177.96 2c91 h ASP 85 N -0.09 0.46 -0.08 -2.05 3.32 -1.98 -1.57 116.42 114.44 2c91 h ASP 85 Ca 0.29 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2c91 h ASP 85 Cb 0.57 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2c91 h ASP 85 CO -0.81 0.42 -0.11 -1.28 -1.72 0.00 0.00 179.24 175.75 2c91 h SER 86 N 0.52 0.23 -0.78 6.45 0.87 -1.55 -1.57 113.55 117.71 2c91 h SER 86 Ca 0.13 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2c91 h SER 86 Cb 0.10 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 2c91 h SER 86 CO -0.01 0.71 0.45 0.16 -0.53 0.00 0.00 176.83 177.60 2c91 h ILE 87 N -0.24 1.23 -0.17 2.23 3.07 -1.23 -0.91 117.51 121.48 2c91 h ILE 87 Ca 0.01 -0.54 0.03 0.00 1.55 0.00 0.00 64.86 65.90 2c91 h ILE 87 Cb 0.66 0.16 -0.03 0.00 -0.27 0.00 0.00 36.82 37.34 2c91 h ILE 87 CO 0.03 0.25 0.00 -0.09 -1.05 0.00 0.00 178.15 177.29 2c91 h ARG 88 N 1.08 0.06 -0.44 0.16 2.43 -1.32 -1.67 114.38 114.68 2c91 h ARG 88 Ca 0.28 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2c91 h ARG 88 Cb 0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2c91 h ARG 88 CO -0.05 0.04 0.27 1.03 -1.51 0.00 0.00 179.97 179.75 2c91 h SER 89 N 0.06 0.45 -0.28 -3.80 0.87 -1.04 -0.56 113.55 109.24 2c91 h SER 89 Ca 0.08 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2c91 h SER 89 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2c91 h SER 89 CO -0.13 0.32 0.10 1.56 -0.53 0.00 0.00 176.83 178.14 2c91 h GLN 90 N 0.55 0.44 -0.33 2.24 4.20 -1.10 -0.43 115.11 120.68 2c91 h GLN 90 Ca 0.17 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2c91 h GLN 90 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2c91 h GLN 90 CO -0.07 0.49 0.01 1.25 -0.67 0.00 0.00 178.83 179.84 2c91 h LEU 91 N 0.30 0.56 -1.04 1.46 5.85 -1.20 -0.70 115.31 120.54 2c91 h LEU 91 Ca 0.09 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2c91 h LEU 91 Cb 0.23 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2c91 h LEU 91 CO -0.00 0.72 0.60 -0.33 -0.34 0.00 0.00 178.44 179.08 2c91 h GLU 92 N 0.38 1.24 -0.51 1.25 5.08 -1.01 -0.33 114.58 120.68 2c91 h GLU 92 Ca 0.09 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2c91 h GLU 92 Cb 0.43 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2c91 h GLU 92 CO 0.01 0.84 0.10 1.15 -1.00 0.00 0.00 179.01 180.11 2c91 h THR 93 N 1.27 1.25 -0.52 1.13 2.02 -0.89 -2.56 112.91 114.62 2c91 h THR 93 Ca 0.34 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2c91 h THR 93 Cb -0.11 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2c91 h THR 93 CO -0.07 0.32 0.28 0.28 0.37 0.00 0.00 175.52 176.70 2c91 h SER 94 N 0.71 0.65 -0.68 4.18 0.02 -0.63 -1.64 113.55 116.16 2c91 h SER 94 Ca 0.16 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2c91 h SER 94 Cb 0.37 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 2c91 h SER 94 CO 0.01 0.56 0.38 -0.07 -1.14 0.00 0.00 176.83 176.57 2c91 h LEU 95 N 0.69 0.56 0.09 5.07 3.38 -0.99 0.22 115.31 124.33 2c91 h LEU 95 Ca 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2c91 h LEU 95 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2c91 h LEU 95 CO -0.03 0.36 -0.05 0.50 0.09 0.00 0.00 178.44 179.31 2c91 h LYS 96 N 0.69 -0.12 -0.77 1.13 3.64 -1.23 0.33 116.57 120.24 2c91 h LYS 96 Ca 0.31 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2c91 h LYS 96 Cb 0.20 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2c91 h LYS 96 CO -0.19 0.09 0.37 0.00 -2.27 0.00 0.00 179.45 177.45 2c91 h ARG 97 N -0.32 1.10 0.00 1.90 3.08 -0.82 -1.82 114.38 117.50 2c91 h ARG 97 Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2c91 h ARG 97 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2c91 h ARG 97 CO 0.02 0.85 0.00 1.28 -1.07 0.00 0.00 179.97 181.05 2c91 n LEU 98 N -4.32 0.18 -3.59 3.04 4.77 0.72 -3.91 117.00 113.88 2c91 n LEU 98 Ca 0.07 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.38 2c91 n LEU 98 Cb 0.14 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2c91 n LEU 98 CO 0.39 -0.19 0.03 0.00 -1.33 0.00 0.00 177.39 176.29 2c91 n GLN 99 N -1.68 -5.84 -3.93 3.23 6.02 -0.02 -4.26 117.38 110.90 2c91 n GLN 99 Ca 0.05 0.73 -0.10 0.00 -0.01 0.00 0.00 57.00 57.67 2c91 n GLN 99 Cb 0.27 -5.52 -0.10 0.00 1.02 0.00 0.00 30.24 25.91 2c91 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c91 h PRO 101 N 3.85 0.00 -1.92 0.00 0.13 -1.81 -3.42 132.00 128.82 2c91 h PRO 101 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2c91 h PRO 101 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2c91 h PRO 101 CO 0.48 0.00 0.15 0.50 -0.23 0.00 0.00 178.00 178.90 2c91 s ARG 102 N -3.26 0.74 0.22 0.86 3.52 -1.26 -4.61 118.95 115.16 2c91 s ARG 102 Ca 0.04 0.99 -0.07 0.00 -0.13 0.00 0.00 55.73 56.57 2c91 s ARG 102 Cb 0.08 0.30 -0.06 0.00 -1.56 0.00 0.00 34.95 33.70 2c91 s ARG 102 CO 0.71 -0.11 0.51 0.14 -0.81 0.00 0.00 175.30 175.74 2c91 s VAL 103 N 0.77 5.02 0.26 7.11 -7.23 -0.93 -3.87 120.40 121.53 2c91 s VAL 103 Ca -0.03 0.24 0.12 0.00 -1.81 0.00 0.00 61.98 60.50 2c91 s VAL 103 Cb -0.05 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 2c91 s VAL 103 CO -0.07 -0.12 1.63 0.44 -0.31 0.00 0.00 175.10 176.68 2c91 h ASP 104 N 2.36 0.00 -3.17 4.85 3.32 -1.65 -0.57 116.42 121.57 2c91 h ASP 104 Ca -0.47 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 2c91 h ASP 104 Cb 1.17 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 2c91 h ASP 104 CO 0.69 0.59 -0.50 -0.22 -1.72 0.00 0.00 179.24 178.08 2c91 s LEU 105 N -7.54 0.14 -0.17 1.55 2.96 -1.06 -1.29 118.68 113.27 2c91 s LEU 105 Ca -0.01 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2c91 s LEU 105 Cb 0.12 0.74 0.03 0.00 0.50 0.00 0.00 46.19 47.58 2c91 s LEU 105 CO 0.75 -0.19 -0.13 0.12 -1.32 0.00 0.00 176.35 175.58 2c91 s PHE 106 N 1.68 2.25 0.06 5.38 5.36 -0.37 -1.28 117.98 131.06 2c91 s PHE 106 Ca -0.06 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 54.57 2c91 s PHE 106 Cb -0.11 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 2c91 s PHE 106 CO -0.09 -0.70 0.15 0.71 -1.46 0.00 0.00 175.22 173.84 2c91 s TYR 107 N 1.46 3.39 -0.38 10.12 2.02 0.04 -0.57 117.35 133.43 2c91 s TYR 107 Ca 0.03 0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 2c91 s TYR 107 Cb -0.14 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 2c91 s TYR 107 CO -0.10 0.57 1.09 -0.51 -1.57 0.00 0.00 175.55 175.03 2c91 s LEU 108 N -2.37 3.82 0.20 -1.29 1.43 -0.86 -1.64 118.68 117.98 2c91 s LEU 108 Ca 0.32 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 54.19 2c91 s LEU 108 Cb -0.13 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.71 2c91 s LEU 108 CO 0.24 -1.02 1.58 -0.74 0.23 0.00 0.00 176.35 176.64 2c91 h HIS 109 N 8.52 0.83 -1.85 0.29 2.76 -1.26 -1.40 115.15 123.04 2c91 h HIS 109 Ca -0.21 -0.23 0.08 0.00 -2.20 0.00 0.00 60.37 57.81 2c91 h HIS 109 Cb 1.06 -0.18 -0.20 0.00 1.55 0.00 0.00 27.41 29.64 2c91 h HIS 109 CO 0.89 0.95 0.49 0.00 -1.30 0.00 0.00 177.93 178.96 2c91 s ALA 110 N -4.38 -1.88 0.49 5.26 0.00 -1.22 -4.26 121.76 115.77 2c91 s ALA 110 Ca -0.09 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.00 2c91 s ALA 110 Cb 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 2c91 s ALA 110 CO 0.84 -0.45 1.33 -2.30 0.00 0.00 0.00 175.76 175.18 2c91 n PRO 111 N 0.41 1.85 -3.65 0.00 -0.02 -1.26 -4.58 135.00 127.75 2c91 n PRO 111 Ca -0.10 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2c91 n PRO 111 Cb 0.59 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2c91 n PRO 111 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2c91 s ASP 112 N -0.72 5.51 0.00 2.55 2.15 -1.26 -4.88 116.67 120.03 2c91 s ASP 112 Ca 0.66 -1.91 0.22 0.00 0.43 0.00 0.00 52.55 51.95 2c91 s ASP 112 Cb -0.45 -1.93 1.03 0.00 -0.30 0.00 0.00 42.92 41.26 2c91 s ASP 112 CO 0.53 -0.62 1.70 1.41 -0.17 0.00 0.00 175.17 178.03 2c91 n HIS 113 N 4.78 0.00 0.80 -5.34 8.25 -1.26 -2.56 115.22 119.89 2c91 n HIS 113 Ca -0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 2c91 n HIS 113 Cb 0.41 -0.37 0.18 0.00 1.12 0.00 0.00 29.99 31.33 2c91 n HIS 113 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2c91 n SER 114 N -1.37 0.59 -4.16 0.41 7.64 -1.26 -4.81 113.62 110.65 2c91 n SER 114 Ca 0.08 -0.15 -0.34 0.00 1.01 0.00 0.00 58.87 59.48 2c91 n SER 114 Cb 0.20 0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.58 2c91 n SER 114 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c91 s THR 115 N -3.08 2.45 0.07 0.44 2.01 -1.06 -5.09 115.64 111.38 2c91 s THR 115 Ca 0.08 -0.95 -0.37 0.00 0.31 0.00 0.00 61.69 60.76 2c91 s THR 115 Cb 0.16 -2.13 -0.16 0.00 0.01 0.00 0.00 72.50 70.37 2c91 s THR 115 CO 0.73 0.40 1.39 -2.65 -0.69 0.00 0.00 174.62 173.79 2c91 n PRO 116 N 4.64 1.25 0.24 4.92 -0.02 -1.26 -4.83 135.00 139.93 2c91 n PRO 116 Ca -0.19 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 2c91 n PRO 116 Cb 0.49 -2.11 0.58 0.00 -0.02 0.00 0.00 33.50 32.44 2c91 n PRO 116 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2c91 h VAL 117 N 3.47 0.95 -0.25 -1.45 3.04 -1.97 -1.68 116.25 118.35 2c91 h VAL 117 Ca -0.47 -0.57 -0.04 0.00 -1.01 0.00 0.00 66.70 64.60 2c91 h VAL 117 Cb 1.33 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 2c91 h VAL 117 CO 0.80 0.15 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.15 2c91 h GLU 118 N 0.00 0.39 0.10 4.17 5.08 -1.99 0.28 114.58 122.61 2c91 h GLU 118 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2c91 h GLU 118 Cb 0.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2c91 h GLU 118 CO 0.02 0.45 -0.05 0.93 -1.00 0.00 0.00 179.01 179.36 2c91 h GLU 119 N 0.37 -0.13 -0.16 2.33 5.08 -1.66 -1.34 114.58 119.07 2c91 h GLU 119 Ca 0.08 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2c91 h GLU 119 Cb 0.31 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2c91 h GLU 119 CO 0.01 0.01 0.08 1.15 -1.00 0.00 0.00 179.01 179.26 2c91 h THR 120 N -0.24 1.00 -0.51 1.13 2.02 -1.50 -2.36 112.91 112.45 2c91 h THR 120 Ca -0.01 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2c91 h THR 120 Cb 0.20 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2c91 h THR 120 CO 0.02 0.03 -0.04 -0.07 0.37 0.00 0.00 175.52 175.83 2c91 h LEU 121 N 0.17 0.88 -0.31 2.58 3.38 -0.88 -1.35 115.31 119.79 2c91 h LEU 121 Ca 0.06 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2c91 h LEU 121 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2c91 h LEU 121 CO -0.04 0.97 0.13 0.00 0.09 0.00 0.00 178.44 179.59 2c91 h ALA 123 N 1.18 0.93 -0.67 0.00 0.00 -1.11 -1.45 119.26 118.14 2c91 h ALA 123 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2c91 h ALA 123 Cb 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2c91 h ALA 123 CO -0.11 0.59 0.38 0.00 0.00 0.00 0.00 179.25 180.10 2c91 h HIS 125 N 0.70 0.45 -0.53 0.00 6.17 -0.37 -1.40 115.15 120.17 2c91 h HIS 125 Ca 0.30 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.41 2c91 h HIS 125 Cb 0.17 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 29.91 2c91 h HIS 125 CO -0.07 0.29 0.31 0.37 0.71 0.00 0.00 177.93 179.54 2c91 h GLN 126 N 0.48 0.60 -0.82 5.26 5.75 -0.84 -0.83 115.11 124.70 2c91 h GLN 126 Ca 0.13 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2c91 h GLN 126 Cb -0.04 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 2c91 h GLN 126 CO -0.03 0.40 0.39 -0.07 -2.65 0.00 0.00 178.83 176.87 2c91 h LEU 127 N 0.62 1.08 -0.42 -2.39 3.38 -0.97 -1.68 115.31 114.94 2c91 h LEU 127 Ca 0.22 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2c91 h LEU 127 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2c91 h LEU 127 CO -0.10 0.92 0.26 -0.74 0.09 0.00 0.00 178.44 178.87 2c91 h HIS 128 N 1.17 0.50 0.00 1.13 2.76 -0.87 -1.93 115.15 117.90 2c91 h HIS 128 Ca 0.28 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2c91 h HIS 128 Cb 0.13 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2c91 h HIS 128 CO 0.01 0.30 -0.02 1.96 -1.30 0.00 0.00 177.93 178.89 2c91 h GLN 129 N 0.54 0.00 0.00 5.26 1.08 -0.62 0.25 115.11 121.62 2c91 h GLN 129 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2c91 h GLN 129 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2c91 h GLN 129 CO -0.05 0.02 0.00 0.39 -0.95 0.00 0.00 178.83 178.24 2c91 n GLU 130 N -4.51 0.21 -0.73 1.46 1.02 -0.68 -4.91 120.64 112.50 2c91 n GLU 130 Ca -0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2c91 n GLU 130 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2c91 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c91 n GLY 131 N 1.18 0.56 0.12 0.62 0.00 0.87 -4.97 105.19 103.57 2c91 n GLY 131 Ca 0.10 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.56 2c91 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c91 h LYS 132 N 0.26 0.00 -3.08 1.61 1.57 -1.52 -3.42 116.57 112.00 2c91 h LYS 132 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2c91 h LYS 132 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.14 2c91 h LYS 132 CO 0.00 0.00 -0.14 -0.59 -0.57 0.00 0.00 179.45 178.15 2c91 s PHE 133 N -3.18 -0.23 -0.12 -1.35 -0.71 -1.26 -2.18 117.98 108.95 2c91 s PHE 133 Ca 0.07 0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 2c91 s PHE 133 Cb 0.10 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 2c91 s PHE 133 CO 0.67 -0.55 -0.09 0.28 -1.34 0.00 0.00 175.22 174.19 2c91 h VAL 134 N 3.09 0.00 -3.71 -2.49 2.07 -1.17 -3.43 116.25 110.62 2c91 h VAL 134 Ca -0.31 -0.97 -0.67 0.00 0.82 0.00 0.00 66.70 65.56 2c91 h VAL 134 Cb 1.20 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.79 2c91 h VAL 134 CO 0.44 0.00 -0.76 -1.61 0.02 0.00 0.00 177.57 175.66 2c91 s GLU 135 N -1.89 2.13 0.00 1.57 2.02 -0.41 -5.01 118.70 117.11 2c91 s GLU 135 Ca -0.08 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 53.76 2c91 s GLU 135 Cb 0.01 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 2c91 s GLU 135 CO 0.11 0.53 0.47 -1.17 0.02 0.00 0.00 175.26 175.23 2c91 s LEU 136 N -1.84 4.46 0.24 1.80 2.96 -1.26 -1.24 118.68 123.79 2c91 s LEU 136 Ca 0.18 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 2c91 s LEU 136 Cb -0.11 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 2c91 s LEU 136 CO 0.10 0.25 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.48 2c91 s GLY 137 N -0.78 1.61 0.10 7.98 0.00 0.27 -1.17 107.32 115.32 2c91 s GLY 137 Ca 0.26 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 43.27 2c91 s GLY 137 CO 0.15 -1.75 -0.19 1.08 0.00 0.00 0.00 173.10 172.38 2c91 s LEU 138 N -3.36 2.30 -0.07 0.66 1.43 -0.19 -2.02 118.68 117.43 2c91 s LEU 138 Ca 0.27 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2c91 s LEU 138 Cb 0.03 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.48 2c91 s LEU 138 CO 0.09 0.02 0.19 -0.55 0.23 0.00 0.00 176.35 176.33 2c91 s SER 139 N -1.93 -0.19 -1.34 2.29 0.15 -0.53 -0.50 113.70 111.66 2c91 s SER 139 Ca 0.05 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2c91 s SER 139 Cb -0.10 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2c91 s SER 139 CO 0.04 -0.10 0.00 0.59 1.20 0.00 0.00 173.24 174.97 2c91 n ASN 140 N 3.49 -4.48 -4.87 5.45 3.02 -1.25 -3.44 115.26 113.18 2c91 n ASN 140 Ca -0.18 0.24 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 2c91 n ASN 140 Cb 0.56 -3.29 -0.05 0.00 -0.61 0.00 0.00 39.78 36.39 2c91 n ASN 140 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2c91 s TYR 141 N -2.54 3.58 0.55 3.10 1.51 -1.26 -1.00 117.35 121.29 2c91 s TYR 141 Ca 0.00 0.77 -0.18 0.00 -1.01 0.00 0.00 57.07 56.64 2c91 s TYR 141 Cb 0.00 -2.14 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 2c91 s TYR 141 CO 0.00 0.53 1.08 0.00 -1.11 0.00 0.00 175.55 176.05 2c91 s ALA 142 N -1.39 2.73 0.29 3.71 0.00 -1.26 -4.72 121.76 121.13 2c91 s ALA 142 Ca 0.33 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.94 2c91 s ALA 142 Cb -0.14 -3.30 0.71 0.00 0.00 0.00 0.00 23.12 20.40 2c91 s ALA 142 CO 0.18 -0.69 1.62 0.66 0.00 0.00 0.00 175.76 177.53 2c91 h SER 143 N 1.03 -0.17 0.34 0.00 4.64 -1.93 0.37 113.55 117.83 2c91 h SER 143 Ca -0.49 0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 2c91 h SER 143 Cb 1.24 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 63.66 2c91 h SER 143 CO 0.57 -0.23 -0.37 4.11 -0.87 0.00 0.00 176.83 180.05 2c91 h TRP 144 N 0.13 0.06 -0.06 4.77 5.08 -1.94 -1.23 115.95 122.74 2c91 h TRP 144 Ca 0.56 -0.01 -0.22 0.00 1.08 0.00 0.00 58.89 60.30 2c91 h TRP 144 Cb 1.14 -0.01 0.01 0.00 -3.00 0.00 0.00 29.16 27.29 2c91 h TRP 144 CO -0.34 0.41 -0.86 0.93 -1.28 0.00 0.00 178.44 177.31 2c91 h GLU 145 N 0.04 0.57 -0.45 0.12 5.08 -0.70 -1.44 114.58 117.80 2c91 h GLU 145 Ca 0.00 -0.52 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2c91 h GLU 145 Cb 0.68 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2c91 h GLU 145 CO 0.05 1.15 0.23 0.28 -1.00 0.00 0.00 179.01 179.72 2c91 h VAL 146 N 0.36 0.99 -0.47 3.13 2.07 -0.67 0.05 116.25 121.71 2c91 h VAL 146 Ca -0.07 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2c91 h VAL 146 Cb 1.48 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2c91 h VAL 146 CO 0.16 0.09 0.19 0.00 0.02 0.00 0.00 177.57 178.03 2c91 h ALA 147 N 1.23 0.61 -0.16 1.67 0.00 -1.12 -0.08 119.26 121.41 2c91 h ALA 147 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2c91 h ALA 147 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2c91 h ALA 147 CO -0.12 0.21 -0.08 1.49 0.00 0.00 0.00 179.25 180.74 2c91 h GLU 148 N 0.61 -0.07 -0.10 0.00 4.81 -0.97 -1.15 114.58 117.72 2c91 h GLU 148 Ca 0.16 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2c91 h GLU 148 Cb 0.18 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2c91 h GLU 148 CO -0.01 -0.04 -0.03 0.82 -0.73 0.00 0.00 179.01 179.02 2c91 h ILE 149 N -0.07 0.90 -0.79 2.32 2.04 -0.63 0.10 117.51 121.38 2c91 h ILE 149 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 2c91 h ILE 149 Cb 0.20 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2c91 h ILE 149 CO -0.21 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.25 2c91 h THR 151 N 1.15 1.27 -0.35 0.00 2.02 -0.82 -1.88 112.91 114.30 2c91 h THR 151 Ca 0.26 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 2c91 h THR 151 Cb 0.23 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2c91 h THR 151 CO -0.02 0.42 0.15 -0.07 0.37 0.00 0.00 175.52 176.36 2c91 h LEU 152 N 0.78 0.47 -0.36 2.58 3.38 -0.57 -2.21 115.31 119.38 2c91 h LEU 152 Ca 0.13 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2c91 h LEU 152 Cb 0.62 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2c91 h LEU 152 CO 0.04 0.50 0.10 0.00 0.09 0.00 0.00 178.44 179.17 2c91 h LYS 154 N 0.23 0.84 0.00 0.00 3.64 -1.17 -1.03 116.57 119.07 2c91 h LYS 154 Ca 0.17 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2c91 h LYS 154 Cb 0.17 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2c91 h LYS 154 CO -0.19 0.63 -0.38 0.66 -2.27 0.00 0.00 179.45 177.89 2c91 h SER 155 N 0.82 0.00 -0.19 4.20 4.64 -1.09 -3.23 113.55 118.69 2c91 h SER 155 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2c91 h SER 155 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2c91 h SER 155 CO -0.04 0.38 0.00 0.59 -0.87 0.00 0.00 176.83 176.90 2c91 n ASN 156 N -3.89 3.00 -2.54 4.97 3.02 -0.28 -4.98 115.26 114.56 2c91 n ASN 156 Ca -0.01 -1.94 -0.21 0.00 -0.03 0.00 0.00 54.58 52.38 2c91 n ASN 156 Cb 0.44 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 2c91 n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c91 n GLY 157 N 1.39 -0.48 3.91 7.41 0.00 -0.49 -5.02 105.19 111.91 2c91 n GLY 157 Ca 0.17 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2c91 n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c91 s TRP 158 N -3.07 3.48 0.23 1.61 0.51 -0.60 -5.05 118.94 116.05 2c91 s TRP 158 Ca 0.11 0.51 -0.31 0.00 -2.12 0.00 0.00 56.10 54.28 2c91 s TRP 158 Cb -0.05 -1.99 -0.13 0.00 -0.81 0.00 0.00 33.47 30.49 2c91 s TRP 158 CO 0.13 0.30 1.50 1.51 -0.51 0.00 0.00 176.95 179.88 2c91 n ILE 159 N -0.66 0.73 -3.03 2.03 3.06 -1.26 -4.49 119.36 115.74 2c91 n ILE 159 Ca -0.03 -0.18 -0.34 0.00 -2.50 0.00 0.00 62.75 59.70 2c91 n ILE 159 Cb 0.53 -1.62 -0.06 0.00 0.54 0.00 0.00 39.64 39.03 2c91 n ILE 159 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2c91 s LEU 160 N 0.18 4.13 0.28 9.51 2.01 -1.26 -4.93 118.68 128.60 2c91 s LEU 160 Ca 0.70 1.45 -0.30 0.00 0.01 0.00 0.00 54.13 55.99 2c91 s LEU 160 Cb -0.61 -4.05 -0.10 0.00 0.01 0.00 0.00 46.19 41.44 2c91 s LEU 160 CO 0.46 -0.17 1.40 -2.16 1.01 0.00 0.00 176.35 176.89 2c91 s PRO 161 N -2.70 4.29 0.00 1.29 0.04 -1.26 -4.47 135.00 132.19 2c91 s PRO 161 Ca 0.53 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.92 2c91 s PRO 161 Cb -0.12 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2c91 s PRO 161 CO 0.18 -0.36 0.59 0.25 0.04 0.00 0.00 177.00 177.70 2c91 n THR 162 N 1.81 0.00 -4.17 1.26 -2.24 -0.32 -4.76 114.28 105.87 2c91 n THR 162 Ca 0.05 -0.46 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 2c91 n THR 162 Cb 0.41 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 2c91 n THR 162 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2c91 s VAL 163 N -0.82 0.44 -0.07 2.28 1.01 -1.20 -1.45 120.40 120.58 2c91 s VAL 163 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2c91 s VAL 163 Cb 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 2c91 s VAL 163 CO 0.13 0.14 -0.21 -0.47 0.00 0.00 0.00 175.10 174.69 2c91 s TYR 164 N 0.00 2.57 -0.22 5.22 6.14 -0.20 -1.02 117.35 129.83 2c91 s TYR 164 Ca 0.00 -0.63 -0.04 0.00 0.64 0.00 0.00 57.07 57.04 2c91 s TYR 164 Cb -0.04 -1.66 -0.00 0.00 0.42 0.00 0.00 41.96 40.68 2c91 s TYR 164 CO -0.00 -0.16 -0.04 -1.14 0.64 0.00 0.00 175.55 174.84 2c91 s GLN 165 N -0.12 3.31 0.06 4.97 0.74 0.34 -0.95 119.66 128.01 2c91 s GLN 165 Ca -0.04 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.71 2c91 s GLN 165 Cb -0.14 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 2c91 s GLN 165 CO 0.04 -0.23 -0.05 0.20 -0.55 0.00 0.00 175.29 174.70 2c91 s GLY 166 N 1.46 0.52 -0.19 2.59 0.00 0.04 -3.81 107.32 107.93 2c91 s GLY 166 Ca 0.05 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2c91 s GLY 166 CO -0.03 -1.11 1.50 -0.29 0.00 0.00 0.00 173.10 173.17 2c91 s MET 167 N -2.85 3.97 -0.23 2.90 1.75 -1.26 -0.40 119.30 123.18 2c91 s MET 167 Ca -0.00 1.68 -0.10 0.00 -1.25 0.00 0.00 55.69 56.01 2c91 s MET 167 Cb -0.01 -3.95 0.09 0.00 2.84 0.00 0.00 34.83 33.80 2c91 s MET 167 CO -0.04 -1.07 0.53 -0.47 -0.65 0.00 0.00 175.02 173.31 2c91 s TYR 168 N 4.52 -0.90 0.36 4.11 5.04 -1.02 -4.67 117.35 124.78 2c91 s TYR 168 Ca 0.66 1.75 -0.11 0.00 -2.44 0.00 0.00 57.07 56.92 2c91 s TYR 168 Cb -0.24 0.47 0.03 0.00 0.35 0.00 0.00 41.96 42.57 2c91 s TYR 168 CO 0.25 -0.48 0.66 0.54 -1.34 0.00 0.00 175.55 175.18 2c91 s ASN 169 N 2.05 0.29 0.54 4.32 2.20 -0.88 -4.10 114.94 119.36 2c91 s ASN 169 Ca -0.07 -1.21 0.23 0.00 -0.94 0.00 0.00 52.86 50.87 2c91 s ASN 169 Cb -0.09 0.77 1.42 0.00 -2.00 0.00 0.00 41.25 41.35 2c91 s ASN 169 CO -0.16 -1.51 2.09 0.00 -2.94 0.00 0.00 177.10 174.59 2c91 h ALA 170 N 2.05 2.12 -0.28 3.54 0.00 -1.85 -1.18 119.26 123.66 2c91 h ALA 170 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2c91 h ALA 170 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2c91 h ALA 170 CO 0.38 -0.29 0.00 0.25 0.00 0.00 0.00 179.25 179.59 2c91 n THR 171 N -4.30 0.71 -3.58 0.00 -2.24 -1.26 -4.48 114.28 99.13 2c91 n THR 171 Ca 0.02 -0.86 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 2c91 n THR 171 Cb 0.32 0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 2c91 n THR 171 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2c91 s THR 172 N -1.01 0.47 -0.09 4.28 2.01 -0.44 -4.81 115.64 116.04 2c91 s THR 172 Ca 0.23 -1.57 0.13 0.00 0.31 0.00 0.00 61.69 60.78 2c91 s THR 172 Cb 0.13 -1.35 0.19 0.00 0.01 0.00 0.00 72.50 71.48 2c91 s THR 172 CO 0.17 -0.85 1.08 0.54 -0.69 0.00 0.00 174.62 174.88 2c91 n ARG 173 N 4.41 1.20 0.17 4.92 1.74 -1.26 -2.07 116.66 125.77 2c91 n ARG 173 Ca 0.04 -2.09 0.13 0.00 -0.77 0.00 0.00 57.85 55.16 2c91 n ARG 173 Cb 0.39 -1.22 0.67 0.00 -1.02 0.00 0.00 32.46 31.27 2c91 n ARG 173 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2c91 h GLN 174 N 0.00 0.00 -0.01 5.56 4.15 -1.89 -0.64 115.11 122.28 2c91 h GLN 174 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2c91 h GLN 174 Cb 1.02 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 2c91 h GLN 174 CO 0.00 0.00 0.02 -0.39 -1.93 0.00 0.00 178.83 176.53 2c91 h VAL 175 N 0.00 0.17 -0.53 2.39 -1.51 -1.87 -3.25 116.25 111.65 2c91 h VAL 175 Ca 0.09 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.45 2c91 h VAL 175 Cb 0.37 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.49 2c91 h VAL 175 CO -0.00 0.00 -0.11 -0.33 -1.23 0.00 0.00 177.57 175.90 2c91 h GLU 176 N 0.00 1.00 -0.30 5.19 5.08 -1.50 -0.83 114.58 123.22 2c91 h GLU 176 Ca 0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2c91 h GLU 176 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2c91 h GLU 176 CO -0.00 1.05 -0.16 0.00 -1.00 0.00 0.00 179.01 178.89 2c91 h ALA 177 N 0.97 0.43 0.00 3.43 0.00 -1.77 -3.39 119.26 118.93 2c91 h ALA 177 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2c91 h ALA 177 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c91 h ALA 177 CO 0.05 0.34 -0.75 0.39 0.00 0.00 0.00 179.25 179.27 2c91 n GLU 178 N -4.37 0.00 0.30 0.00 1.02 -1.25 -4.76 120.64 111.57 2c91 n GLU 178 Ca -0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.94 2c91 n GLU 178 Cb 0.39 -0.74 -0.09 0.00 -0.02 0.00 0.00 31.44 30.98 2c91 n GLU 178 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2c91 h LEU 179 N 0.00 -0.62 -0.25 -4.62 5.85 -1.72 -2.45 115.31 111.51 2c91 h LEU 179 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2c91 h LEU 179 Cb 0.75 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 2c91 h LEU 179 CO 0.00 -0.40 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.40 2c91 h LEU 180 N -0.79 -0.75 -1.17 2.25 4.07 -1.35 -0.67 115.31 116.91 2c91 h LEU 180 Ca -0.07 0.14 0.14 0.00 0.08 0.00 0.00 57.88 58.16 2c91 h LEU 180 Cb 0.58 0.36 -0.08 0.00 1.08 0.00 0.00 40.66 42.60 2c91 h LEU 180 CO 0.12 -0.27 0.60 -0.65 -1.08 0.00 0.00 178.44 177.16 2c91 h PRO 181 N -0.24 0.79 -0.33 1.13 0.11 -1.76 -1.47 132.00 130.23 2c91 h PRO 181 Ca 0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2c91 h PRO 181 Cb 0.45 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 2c91 h PRO 181 CO -0.38 0.52 0.18 0.00 -0.21 0.00 0.00 178.00 178.10 2c91 h LEU 183 N 0.40 1.01 -0.92 0.00 3.38 -0.48 -1.37 115.31 117.34 2c91 h LEU 183 Ca 0.11 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2c91 h LEU 183 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2c91 h LEU 183 CO -0.02 0.97 0.14 0.03 0.09 0.00 0.00 178.44 179.65 2c91 h ARG 184 N 1.00 0.93 -0.42 1.13 -0.00 -1.24 0.21 114.38 116.00 2c91 h ARG 184 Ca 0.22 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.98 59.43 2c91 h ARG 184 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.16 2c91 h ARG 184 CO -0.00 0.84 0.01 1.25 0.00 0.00 0.00 179.97 182.06 2c91 h HIS 185 N 0.89 0.80 -0.01 3.04 2.76 -0.87 -3.25 115.15 118.50 2c91 h HIS 185 Ca 0.19 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2c91 h HIS 185 Cb 0.33 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2c91 h HIS 185 CO 0.02 0.80 -0.28 1.19 -1.30 0.00 0.00 177.93 178.35 2c91 n PHE 186 N -4.43 0.00 -1.27 5.26 3.72 -0.56 -4.98 117.46 115.19 2c91 n PHE 186 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2c91 n PHE 186 Cb 0.29 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2c91 n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2c91 n GLY 187 N 1.35 0.89 3.79 1.37 0.00 -0.10 -5.04 105.19 107.46 2c91 n GLY 187 Ca 0.12 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2c91 n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c91 s LEU 188 N 0.00 4.02 0.35 0.99 1.02 -0.27 -4.85 118.68 119.94 2c91 s LEU 188 Ca 0.00 0.31 -0.04 0.00 0.02 0.00 0.00 54.13 54.41 2c91 s LEU 188 Cb 0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 2c91 s LEU 188 CO 0.00 0.38 0.62 0.00 0.02 0.00 0.00 176.35 177.37 2c91 s ARG 189 N -1.06 3.59 -0.12 1.70 1.70 -0.53 -4.48 118.95 119.75 2c91 s ARG 189 Ca 0.15 0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.45 2c91 s ARG 189 Cb -0.12 -2.57 -0.00 0.00 -0.57 0.00 0.00 34.95 31.69 2c91 s ARG 189 CO 0.05 0.09 -0.20 0.12 -1.08 0.00 0.00 175.30 174.28 2c91 s PHE 190 N -2.30 2.67 -0.22 5.89 5.36 -1.26 -1.03 117.98 127.08 2c91 s PHE 190 Ca 0.44 -1.01 -0.05 0.00 -0.96 0.00 0.00 56.93 55.36 2c91 s PHE 190 Cb -0.10 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.78 2c91 s PHE 190 CO 0.34 -0.42 -0.01 0.71 -1.46 0.00 0.00 175.22 174.38 2c91 s TYR 191 N 0.50 2.99 -0.23 10.12 1.51 -0.12 -1.23 117.35 130.89 2c91 s TYR 191 Ca -0.13 -0.77 -0.20 0.00 -1.01 0.00 0.00 57.07 54.96 2c91 s TYR 191 Cb -0.17 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 2c91 s TYR 191 CO 0.05 -0.47 0.60 0.00 -1.11 0.00 0.00 175.55 174.62 2c91 s ALA 192 N 1.46 3.58 0.49 3.71 0.00 -0.25 -0.78 121.76 129.98 2c91 s ALA 192 Ca 0.05 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2c91 s ALA 192 Cb -0.14 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 20.05 2c91 s ALA 192 CO -0.01 -0.69 0.68 1.52 0.00 0.00 0.00 175.76 177.26 2c91 s TYR 193 N 2.23 2.20 -1.51 0.00 -0.85 0.46 -1.09 117.35 118.79 2c91 s TYR 193 Ca 0.26 -0.52 -0.13 0.00 -0.52 0.00 0.00 57.07 56.16 2c91 s TYR 193 Cb -0.16 -2.34 0.08 0.00 0.38 0.00 0.00 41.96 39.92 2c91 s TYR 193 CO 0.09 -0.77 0.99 0.09 -1.52 0.00 0.00 175.55 174.43 2c91 n ASN 194 N -2.05 -4.75 0.07 -0.18 5.03 -1.26 -2.45 115.26 109.66 2c91 n ASN 194 Ca 0.11 -0.76 0.09 0.00 0.87 0.00 0.00 54.58 54.89 2c91 n ASN 194 Cb 0.60 -3.98 0.38 0.00 -1.02 0.00 0.00 39.78 35.75 2c91 n ASN 194 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2c91 n PRO 195 N -4.70 0.09 -0.32 3.52 -0.04 -1.26 -0.64 135.00 131.66 2c91 n PRO 195 Ca 0.02 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2c91 n PRO 195 Cb 0.54 -1.69 0.22 0.00 -0.04 0.00 0.00 33.50 32.52 2c91 n PRO 195 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2c91 n LEU 196 N -1.86 3.35 -3.87 1.53 4.77 -1.26 -4.63 117.00 115.03 2c91 n LEU 196 Ca 0.02 -3.05 -0.26 0.00 -0.03 0.00 0.00 56.01 52.69 2c91 n LEU 196 Cb 0.16 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 2c91 n LEU 196 CO 0.14 0.69 -0.08 0.00 -1.33 0.00 0.00 177.39 176.81 2c91 n ALA 197 N -0.85 -1.80 -1.17 -1.18 0.00 0.19 -0.65 120.51 115.05 2c91 n ALA 197 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 2c91 n ALA 197 Cb 0.81 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 2c91 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c91 n GLY 198 N -1.72 0.74 0.00 0.00 0.00 -1.26 -2.05 105.19 100.89 2c91 n GLY 198 Ca -0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2c91 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c91 n GLY 199 N -1.12 1.89 0.37 -0.02 0.00 -0.55 -4.74 105.19 101.02 2c91 n GLY 199 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.01 2c91 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c91 h LEU 200 N 0.00 0.91 0.00 0.99 5.85 -0.77 -1.82 115.31 120.48 2c91 h LEU 200 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2c91 h LEU 200 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2c91 h LEU 200 CO 0.00 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.85 2c91 n LEU 201 N -4.50 0.00 0.07 2.25 4.77 0.18 -1.99 117.00 117.78 2c91 n LEU 201 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2c91 n LEU 201 Cb 0.22 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.77 2c91 n LEU 201 CO 0.32 0.00 0.89 0.35 -1.33 0.00 0.00 177.39 177.62 2c91 n THR 202 N -0.73 0.42 -0.97 -5.08 -2.24 -0.68 -3.53 114.28 101.47 2c91 n THR 202 Ca 0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2c91 n THR 202 Cb 0.04 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2c91 n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c91 n GLY 203 N 1.36 0.52 0.00 3.38 0.00 -0.84 -4.25 105.19 105.37 2c91 n GLY 203 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2c91 n GLY 203 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c91 n LYS 204 N -2.12 0.18 -3.94 1.61 2.85 -1.26 -4.84 118.16 110.63 2c91 n LYS 204 Ca 0.00 0.05 -0.23 0.00 -1.05 0.00 0.00 58.31 57.09 2c91 n LYS 204 Cb 0.07 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.90 2c91 n LYS 204 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2c91 s TYR 205 N -2.80 2.72 -0.01 5.58 2.02 -1.26 -5.14 117.35 118.46 2c91 s TYR 205 Ca 0.18 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2c91 s TYR 205 Cb 0.17 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2c91 s TYR 205 CO 0.43 0.18 -0.08 0.15 -1.57 0.00 0.00 175.55 174.66 2c91 s LYS 206 N -3.94 0.67 0.30 -0.62 1.02 -1.26 -5.06 119.74 110.85 2c91 s LYS 206 Ca 0.41 -0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.18 2c91 s LYS 206 Cb -0.02 -0.65 0.81 0.00 -0.52 0.00 0.00 37.83 37.46 2c91 s LYS 206 CO 0.24 0.15 1.62 -0.92 -0.92 0.00 0.00 175.35 175.53 2c91 h TYR 207 N 6.04 0.35 0.00 3.18 5.03 -1.98 0.16 116.97 129.75 2c91 h TYR 207 Ca -0.30 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.06 2c91 h TYR 207 Cb 1.18 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.46 2c91 h TYR 207 CO 0.41 -0.29 0.00 -0.85 -1.32 0.00 0.00 178.16 176.11 2c91 n GLU 208 N -5.28 0.53 -0.35 1.82 0.00 -1.26 -2.55 120.64 113.56 2c91 n GLU 208 Ca 0.24 0.01 0.34 0.00 0.00 0.00 0.00 57.16 57.75 2c91 n GLU 208 Cb 0.78 -1.50 0.71 0.00 0.00 0.00 0.00 31.44 31.43 2c91 n GLU 208 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2c91 h ASP 209 N 0.00 0.09 -0.20 -1.84 3.32 -1.07 -0.95 116.42 115.77 2c91 h ASP 209 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2c91 h ASP 209 Cb 0.22 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2c91 h ASP 209 CO 0.00 0.01 0.08 0.07 -1.72 0.00 0.00 179.24 177.68 2c91 h LYS 210 N 0.08 0.37 0.00 3.56 2.10 -1.69 0.75 116.57 121.73 2c91 h LYS 210 Ca 0.60 -0.05 -0.20 0.00 -2.00 0.00 0.00 60.65 59.01 2c91 h LYS 210 Cb 2.22 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 33.45 2c91 h LYS 210 CO -0.08 0.33 -1.37 -0.44 -2.00 0.00 0.00 179.45 175.90 2c91 h ASP 211 N 0.37 0.00 0.00 7.07 3.32 -1.44 -3.44 116.42 122.30 2c91 h ASP 211 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2c91 h ASP 211 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2c91 h ASP 211 CO -0.01 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 2c91 n GLY 212 N 1.42 0.65 0.23 2.75 0.00 -1.02 -4.93 105.19 104.28 2c91 n GLY 212 Ca -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2c91 n GLY 212 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c91 h LYS 213 N 0.00 0.04 -6.46 1.61 3.64 -1.78 -3.46 116.57 110.16 2c91 h LYS 213 Ca 0.00 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 2c91 h LYS 213 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2c91 h LYS 213 CO 0.00 0.02 -0.92 1.04 -2.27 0.00 0.00 179.45 177.33 2c91 n GLN 214 N -5.36 -2.29 -1.91 1.90 6.02 0.24 -4.82 117.38 111.16 2c91 n GLN 214 Ca 0.07 0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 2c91 n GLN 214 Cb 0.32 -4.20 -0.03 0.00 1.02 0.00 0.00 30.24 27.35 2c91 n GLN 214 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2c91 s PRO 215 N -6.46 4.20 0.30 -1.09 0.04 -1.26 -4.87 135.00 125.86 2c91 s PRO 215 Ca 0.20 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 2c91 s PRO 215 Cb -0.08 -3.37 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 2c91 s PRO 215 CO 0.89 -0.68 1.52 0.28 0.04 0.00 0.00 177.00 179.05 2c91 n VAL 216 N 4.34 1.20 -0.96 -0.36 0.31 -1.26 -4.23 118.33 117.36 2c91 n VAL 216 Ca 0.15 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2c91 n VAL 216 Cb 0.39 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2c91 n VAL 216 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c91 n GLY 217 N 1.85 -0.31 0.37 2.92 0.00 -0.99 -4.92 105.19 104.12 2c91 n GLY 217 Ca 0.08 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.23 2c91 n GLY 217 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2c91 h ARG 218 N 0.00 0.72 -0.01 1.61 9.65 -1.87 -2.85 114.38 121.63 2c91 h ARG 218 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2c91 h ARG 218 Cb 0.00 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 2c91 h ARG 218 CO 0.00 0.48 -0.56 1.19 2.80 0.00 0.00 179.97 183.88 2c91 n PHE 219 N -4.58 0.00 -3.73 2.20 3.01 -1.26 -4.23 117.46 108.88 2c91 n PHE 219 Ca 0.18 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.51 2c91 n PHE 219 Cb 0.45 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.77 2c91 n PHE 219 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2c91 s PHE 220 N -2.59 -0.27 0.00 1.38 0.08 -1.08 -4.69 117.98 110.81 2c91 s PHE 220 Ca 0.17 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.91 2c91 s PHE 220 Cb 0.18 -0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.61 2c91 s PHE 220 CO 0.63 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 2c91 n GLY 221 N 4.35 0.32 3.65 4.36 0.00 -1.26 -2.33 105.19 114.28 2c91 n GLY 221 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2c91 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c91 s ASN 222 N -2.39 3.59 0.42 1.61 2.20 -1.26 -5.05 114.94 114.05 2c91 s ASN 222 Ca 0.00 -1.59 0.27 0.00 -0.94 0.00 0.00 52.86 50.60 2c91 s ASN 222 Cb 0.00 0.33 0.87 0.00 -2.00 0.00 0.00 41.25 40.44 2c91 s ASN 222 CO 0.00 -0.79 1.78 0.78 -2.94 0.00 0.00 177.10 175.93 2c91 h ASN 223 N 1.60 0.00 -0.08 3.54 2.35 -1.97 -2.76 115.58 118.26 2c91 h ASN 223 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2c91 h ASN 223 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2c91 h ASN 223 CO 0.70 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.27 2c91 n TRP 224 N -2.84 0.08 -0.29 1.19 7.02 -1.26 -4.61 117.44 116.73 2c91 n TRP 224 Ca 0.03 -0.04 -0.05 0.00 -1.02 0.00 0.00 57.50 56.41 2c91 n TRP 224 Cb 0.39 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.35 2c91 n TRP 224 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2c91 h ALA 225 N 4.47 1.01 -0.56 6.99 0.00 -1.66 -0.91 119.26 128.60 2c91 h ALA 225 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2c91 h ALA 225 Cb 0.74 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2c91 h ALA 225 CO 0.00 0.56 -0.03 1.49 0.00 0.00 0.00 179.25 181.27 2c91 h GLU 226 N 1.10 0.99 -0.34 0.00 4.57 -1.81 0.95 114.58 120.05 2c91 h GLU 226 Ca 0.27 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2c91 h GLU 226 Cb 0.10 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2c91 h GLU 226 CO -0.04 0.99 0.21 1.15 -1.18 0.00 0.00 179.01 180.15 2c91 h THR 227 N 0.90 1.06 -0.82 0.32 2.02 -1.72 0.12 112.91 114.80 2c91 h THR 227 Ca 0.16 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 2c91 h THR 227 Cb 0.57 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2c91 h THR 227 CO 0.03 0.08 0.35 1.88 0.37 0.00 0.00 175.52 178.23 2c91 h TYR 228 N 0.43 1.22 -0.36 3.16 -1.99 -0.98 -0.73 116.97 117.73 2c91 h TYR 228 Ca 0.13 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2c91 h TYR 228 Cb -0.03 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.32 2c91 h TYR 228 CO -0.06 0.91 0.15 0.00 -0.00 0.00 0.00 178.16 179.15 2c91 h ARG 229 N 1.18 0.53 -0.44 4.88 3.08 -0.37 -0.95 114.38 122.30 2c91 h ARG 229 Ca 0.28 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.28 2c91 h ARG 229 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2c91 h ARG 229 CO -0.03 0.50 0.29 -0.91 -1.07 0.00 0.00 179.97 178.76 2c91 h ASN 230 N 0.43 0.35 -0.04 7.04 2.35 -0.69 0.34 115.58 125.37 2c91 h ASN 230 Ca 0.12 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2c91 h ASN 230 Cb 0.17 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2c91 h ASN 230 CO -0.01 0.23 -0.15 -0.09 -1.65 0.00 0.00 177.43 175.77 2c91 h ARG 231 N 0.40 0.16 0.00 0.81 2.43 -0.55 -3.43 114.38 114.21 2c91 h ARG 231 Ca 0.19 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2c91 h ARG 231 Cb 0.24 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2c91 h ARG 231 CO -0.04 0.77 -0.61 1.19 -1.51 0.00 0.00 179.97 179.77 2c91 n PHE 232 N -4.61 0.00 -2.86 2.20 0.99 -0.41 -4.37 117.46 108.39 2c91 n PHE 232 Ca -0.09 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 56.93 2c91 n PHE 232 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.88 2c91 n PHE 232 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.76 176.30 2c91 s TRP 233 N -1.26 3.26 0.01 1.38 -0.11 0.10 -4.81 118.94 117.52 2c91 s TRP 233 Ca 0.00 -1.84 0.04 0.00 1.22 0.00 0.00 56.10 55.52 2c91 s TRP 233 Cb 0.00 -4.40 -0.01 0.00 -1.50 0.00 0.00 33.47 27.55 2c91 s TRP 233 CO 0.00 -1.51 -0.11 0.15 -4.62 0.00 0.00 176.95 170.86 2c91 s LYS 234 N 2.41 0.80 0.23 5.86 1.02 -1.26 -4.79 119.74 124.01 2c91 s LYS 234 Ca 0.43 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 2c91 s LYS 234 Cb -0.02 -0.77 0.39 0.00 -0.52 0.00 0.00 37.83 36.91 2c91 s LYS 234 CO -0.01 0.20 1.73 0.93 -0.92 0.00 0.00 175.35 177.28 2c91 h GLU 235 N 5.42 0.41 -0.12 1.68 5.08 -1.98 0.59 114.58 125.66 2c91 h GLU 235 Ca -0.34 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2c91 h GLU 235 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2c91 h GLU 235 CO 0.47 0.27 0.08 0.45 -1.00 0.00 0.00 179.01 179.28 2c91 h HIS 236 N 0.42 0.06 -0.21 4.33 3.86 -1.97 -0.45 115.15 121.19 2c91 h HIS 236 Ca 0.37 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.53 2c91 h HIS 236 Cb 0.53 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2c91 h HIS 236 CO -0.17 0.04 -0.10 1.25 0.86 0.00 0.00 177.93 179.80 2c91 h HIS 237 N 0.06 0.51 -0.67 2.45 6.17 -1.21 0.43 115.15 122.88 2c91 h HIS 237 Ca 0.05 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 2c91 h HIS 237 Cb 0.14 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 2c91 h HIS 237 CO -0.00 0.72 0.33 0.74 0.71 0.00 0.00 177.93 180.44 2c91 h PHE 238 N 0.15 0.96 -0.79 5.26 -1.00 -0.86 0.46 116.94 121.12 2c91 h PHE 238 Ca 0.05 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.79 2c91 h PHE 238 Cb 0.59 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.81 2c91 h PHE 238 CO 0.06 0.71 0.53 0.93 -1.61 0.00 0.00 178.31 178.93 2c91 h GLU 239 N 0.93 1.04 -0.59 1.51 5.08 -0.99 -1.27 114.58 120.29 2c91 h GLU 239 Ca 0.23 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2c91 h GLU 239 Cb 0.10 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2c91 h GLU 239 CO -0.03 0.69 0.35 0.00 -1.00 0.00 0.00 179.01 179.02 2c91 h ALA 240 N 1.29 0.76 -0.51 3.43 0.00 -0.16 -1.68 119.26 122.40 2c91 h ALA 240 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2c91 h ALA 240 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2c91 h ALA 240 CO -0.06 0.25 0.15 0.82 0.00 0.00 0.00 179.25 180.40 2c91 h ILE 241 N 0.80 1.23 -0.45 0.00 2.04 -0.59 -2.65 117.51 117.90 2c91 h ILE 241 Ca 0.21 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2c91 h ILE 241 Cb -0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2c91 h ILE 241 CO -0.04 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.68 2c91 h ALA 242 N 1.01 1.65 -0.66 1.87 0.00 -0.88 -0.32 119.26 121.94 2c91 h ALA 242 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2c91 h ALA 242 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2c91 h ALA 242 CO -0.00 0.31 0.29 1.25 0.00 0.00 0.00 179.25 181.10 2c91 h LEU 243 N 0.61 0.88 -0.33 0.00 7.12 -1.03 -1.16 115.31 121.40 2c91 h LEU 243 Ca 0.16 -0.15 -0.18 0.00 0.13 0.00 0.00 57.88 57.84 2c91 h LEU 243 Cb -0.05 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 39.85 2c91 h LEU 243 CO -0.03 0.79 -0.49 0.58 -0.13 0.00 0.00 178.44 179.16 2c91 h VAL 244 N 0.92 1.27 -0.63 1.05 2.07 -0.99 -2.60 116.25 117.34 2c91 h VAL 244 Ca 0.22 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 66.09 2c91 h VAL 244 Cb 0.17 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2c91 h VAL 244 CO -0.02 0.55 0.40 -0.33 0.02 0.00 0.00 177.57 178.19 2c91 h GLU 245 N 0.71 0.77 -0.88 1.57 4.39 -0.93 -0.75 114.58 119.47 2c91 h GLU 245 Ca 0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2c91 h GLU 245 Cb 1.09 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.53 2c91 h GLU 245 CO 0.11 0.51 0.46 -0.22 -1.16 0.00 0.00 179.01 178.72 2c91 h LYS 246 N 0.80 1.23 -0.31 2.33 3.64 -1.18 -2.06 116.57 121.03 2c91 h LYS 246 Ca 0.24 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 2c91 h LYS 246 Cb -0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 2c91 h LYS 246 CO -0.08 0.91 -0.21 0.00 -2.27 0.00 0.00 179.45 177.80 2c91 h ALA 247 N 1.25 1.06 0.08 5.00 0.00 -1.00 -1.17 119.26 124.49 2c91 h ALA 247 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c91 h ALA 247 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2c91 h ALA 247 CO -0.05 0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 179.66 2c91 h LEU 248 N 0.51 -0.09 -0.13 0.00 3.38 -0.78 -0.64 115.31 117.56 2c91 h LEU 248 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2c91 h LEU 248 Cb 0.65 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2c91 h LEU 248 CO 0.05 0.01 0.08 -0.61 0.09 0.00 0.00 178.44 178.06 2c91 h GLN 249 N -0.19 0.17 -0.78 1.13 5.75 -1.24 0.99 115.11 120.94 2c91 h GLN 249 Ca -0.01 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2c91 h GLN 249 Cb 0.16 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2c91 h GLN 249 CO 0.02 0.13 0.47 1.15 -2.65 0.00 0.00 178.83 177.95 2c91 h THR 250 N 0.16 1.22 0.10 2.39 2.02 -1.22 0.22 112.91 117.80 2c91 h THR 250 Ca 0.05 -0.48 -0.28 0.00 0.77 0.00 0.00 66.41 66.46 2c91 h THR 250 Cb -0.00 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2c91 h THR 250 CO -0.01 0.23 -1.35 0.74 0.37 0.00 0.00 175.52 175.50 2c91 h THR 251 N 1.07 1.36 0.00 3.16 2.02 -0.86 -3.41 112.91 116.25 2c91 h THR 251 Ca 0.28 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.48 2c91 h THR 251 Cb -0.04 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2c91 h THR 251 CO -0.05 0.85 -1.14 -1.22 0.37 0.00 0.00 175.52 174.33 2c91 n TYR 252 N -3.46 0.00 -0.41 3.16 4.01 0.32 -5.08 117.16 115.70 2c91 n TYR 252 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2c91 n TYR 252 Cb 1.02 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 2c91 n TYR 252 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c91 n GLY 253 N 2.17 2.38 0.23 2.72 0.00 0.06 -2.75 105.19 110.00 2c91 n GLY 253 Ca -0.01 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.76 2c91 n GLY 253 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c91 h THR 254 N 0.00 0.75 0.00 2.61 1.35 -1.94 -2.70 112.91 112.97 2c91 h THR 254 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2c91 h THR 254 Cb 0.00 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2c91 h THR 254 CO 0.00 0.22 0.00 0.59 -0.25 0.00 0.00 175.52 176.08 2c91 n ASN 255 N -3.67 0.00 -4.71 5.36 4.13 -1.11 -4.94 115.26 110.33 2c91 n ASN 255 Ca -0.01 -1.28 -0.42 0.00 1.68 0.00 0.00 54.58 54.55 2c91 n ASN 255 Cb 0.35 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 2c91 n ASN 255 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2c91 s ALA 256 N -2.00 3.63 0.57 5.41 0.00 -1.02 -4.95 121.76 123.40 2c91 s ALA 256 Ca 0.09 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 2c91 s ALA 256 Cb 0.04 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2c91 s ALA 256 CO 0.07 -0.75 1.10 -2.30 0.00 0.00 0.00 175.76 173.88 2c91 n PRO 257 N 4.40 1.17 -1.53 0.00 -0.02 -1.26 -4.99 135.00 132.77 2c91 n PRO 257 Ca 0.13 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 2c91 n PRO 257 Cb 0.42 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 2c91 n PRO 257 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2c91 s ARG 258 N -2.76 2.46 0.25 -0.52 0.52 -1.26 -4.82 118.95 112.82 2c91 s ARG 258 Ca 0.74 1.43 -0.03 0.00 -0.52 0.00 0.00 55.73 57.35 2c91 s ARG 258 Cb -0.43 -1.90 0.47 0.00 0.52 0.00 0.00 34.95 33.60 2c91 s ARG 258 CO 0.48 -1.52 1.76 1.98 0.02 0.00 0.00 175.30 178.02 2c91 h MET 259 N -0.37 0.57 -0.55 3.54 1.85 -1.86 -0.64 114.93 117.47 2c91 h MET 259 Ca -0.46 -0.03 0.10 0.00 -0.61 0.00 0.00 59.70 58.70 2c91 h MET 259 Cb 1.25 -0.13 -0.08 0.00 0.43 0.00 0.00 31.60 33.07 2c91 h MET 259 CO 0.52 0.38 0.09 1.15 -0.40 0.00 0.00 176.91 178.65 2c91 h THR 260 N 0.59 0.66 -0.31 -0.77 2.02 -1.73 0.19 112.91 113.56 2c91 h THR 260 Ca 0.42 -0.08 -0.16 0.00 0.77 0.00 0.00 66.41 67.36 2c91 h THR 260 Cb 0.57 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2c91 h THR 260 CO -0.34 0.04 -0.46 -1.28 0.37 0.00 0.00 175.52 173.84 2c91 h SER 261 N 0.22 0.88 -0.54 4.18 0.87 -1.58 -2.31 113.55 115.26 2c91 h SER 261 Ca 0.28 -0.43 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 2c91 h SER 261 Cb 0.41 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2c91 h SER 261 CO -0.38 1.20 0.04 0.00 -0.53 0.00 0.00 176.83 177.16 2c91 h ALA 262 N 0.82 0.73 -0.74 6.23 0.00 -0.55 -1.02 119.26 124.73 2c91 h ALA 262 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2c91 h ALA 262 Cb 1.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2c91 h ALA 262 CO 0.10 0.51 0.24 0.00 0.00 0.00 0.00 179.25 180.11 2c91 h ALA 263 N 0.97 1.03 -0.27 0.00 0.00 -0.56 -0.92 119.26 119.50 2c91 h ALA 263 Ca 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2c91 h ALA 263 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2c91 h ALA 263 CO 0.02 0.66 -0.57 -0.07 0.00 0.00 0.00 179.25 179.29 2c91 h LEU 264 N 1.10 0.96 -1.22 0.00 3.38 -1.32 -2.91 115.31 115.31 2c91 h LEU 264 Ca 0.24 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2c91 h LEU 264 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2c91 h LEU 264 CO -0.01 1.33 -0.05 0.03 0.09 0.00 0.00 178.44 179.83 2c91 h ARG 265 N 0.65 0.48 -0.95 1.13 3.08 -1.08 -0.43 114.38 117.25 2c91 h ARG 265 Ca 0.01 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2c91 h ARG 265 Cb 1.18 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 2c91 h ARG 265 CO 0.13 0.54 0.62 2.35 -1.07 0.00 0.00 179.97 182.54 2c91 h TRP 266 N 0.46 1.17 -0.24 3.04 7.01 -1.10 -0.70 115.95 125.59 2c91 h TRP 266 Ca 0.09 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2c91 h TRP 266 Cb 0.37 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2c91 h TRP 266 CO 0.01 0.70 0.14 0.52 -2.79 0.00 0.00 178.44 177.02 2c91 h MET 267 N 1.23 0.33 0.00 2.65 2.86 -0.90 0.43 114.93 121.54 2c91 h MET 267 Ca 0.37 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.87 2c91 h MET 267 Cb -0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2c91 h MET 267 CO -0.11 0.29 -0.49 1.88 1.06 0.00 0.00 176.91 179.54 2c91 h TYR 268 N 0.28 0.00 0.00 -0.22 -1.99 -1.21 -3.34 116.97 110.49 2c91 h TYR 268 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2c91 h TYR 268 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2c91 h TYR 268 CO -0.04 0.49 -0.99 0.72 -0.00 0.00 0.00 178.16 178.35 2c91 n HIS 269 N -3.37 0.00 -0.19 4.88 8.25 -0.29 -4.43 115.22 120.08 2c91 n HIS 269 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2c91 n HIS 269 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 2c91 n HIS 269 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c91 n HIS 270 N -1.78 0.00 -2.59 4.41 8.25 0.05 -5.04 115.22 118.52 2c91 n HIS 270 Ca 0.00 -0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.14 2c91 n HIS 270 Cb 0.30 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.50 2c91 n HIS 270 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2c91 n SER 271 N -0.11 1.23 -0.48 0.41 3.41 -0.62 -4.98 113.62 112.47 2c91 n SER 271 Ca 0.00 -2.03 0.09 0.00 -0.26 0.00 0.00 58.87 56.68 2c91 n SER 271 Cb 0.12 -0.57 0.36 0.00 -0.26 0.00 0.00 64.21 63.86 2c91 n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c91 n GLN 272 N -2.62 1.63 -2.11 4.33 6.02 -1.26 -4.87 117.38 118.48 2c91 n GLN 272 Ca 0.15 -0.95 -0.41 0.00 -0.01 0.00 0.00 57.00 55.78 2c91 n GLN 272 Cb 0.53 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 30.41 2c91 n GLN 272 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2c91 s LEU 273 N -1.48 4.42 -0.21 1.08 1.43 -1.26 -5.02 118.68 117.63 2c91 s LEU 273 Ca 0.30 2.65 0.01 0.00 -1.03 0.00 0.00 54.13 56.06 2c91 s LEU 273 Cb 0.16 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.78 2c91 s LEU 273 CO 0.24 -0.55 -0.12 -1.10 0.23 0.00 0.00 176.35 175.05 2c91 s GLN 274 N -1.41 2.20 0.31 1.70 -0.21 -1.26 -4.84 119.66 116.15 2c91 s GLN 274 Ca 0.51 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.93 2c91 s GLN 274 Cb -0.40 -2.58 0.61 0.00 1.00 0.00 0.00 33.01 31.65 2c91 s GLN 274 CO 0.50 -0.44 1.88 0.78 -2.12 0.00 0.00 175.29 175.88 2c91 h GLY 275 N 7.91 1.39 2.00 3.09 0.00 -1.72 -1.21 103.07 114.53 2c91 h GLY 275 Ca -0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2c91 h GLY 275 CO 0.49 0.21 -0.05 -0.91 0.00 0.00 0.00 176.54 176.28 2c91 h THR 276 N 0.93 0.39 -0.01 4.70 1.35 -1.86 -0.66 112.91 117.76 2c91 h THR 276 Ca 0.44 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 2c91 h THR 276 Cb 0.41 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2c91 h THR 276 CO -0.20 0.05 -0.10 0.54 -0.25 0.00 0.00 175.52 175.56 2c91 n ARG 277 N -3.54 0.97 -0.59 4.72 1.74 -0.50 -4.92 116.66 114.54 2c91 n ARG 277 Ca -0.02 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 2c91 n ARG 277 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2c91 n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c91 n GLY 278 N 1.24 0.73 3.73 -0.13 0.00 -0.25 -4.59 105.19 105.92 2c91 n GLY 278 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2c91 n GLY 278 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c91 s ASP 279 N -2.31 4.59 0.12 1.61 1.01 -0.95 -4.69 116.67 116.04 2c91 s ASP 279 Ca 0.00 2.48 -0.12 0.00 0.71 0.00 0.00 52.55 55.62 2c91 s ASP 279 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2c91 s ASP 279 CO 0.00 -2.01 0.30 0.00 0.21 0.00 0.00 175.17 173.68 2c91 s ALA 280 N -1.64 -0.54 -0.20 5.23 0.00 -0.36 -1.14 121.76 123.11 2c91 s ALA 280 Ca 0.79 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2c91 s ALA 280 Cb -0.33 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2c91 s ALA 280 CO 0.40 -0.59 0.02 0.08 0.00 0.00 0.00 175.76 175.67 2c91 s VAL 281 N -3.85 4.22 -0.44 0.00 1.01 0.37 -1.09 120.40 120.62 2c91 s VAL 281 Ca 0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2c91 s VAL 281 Cb 0.03 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2c91 s VAL 281 CO -0.10 0.43 0.60 -0.63 0.00 0.00 0.00 175.10 175.40 2c91 s ILE 282 N 0.82 4.89 0.44 2.22 1.01 -0.25 -0.79 121.20 129.53 2c91 s ILE 282 Ca 0.02 -0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2c91 s ILE 282 Cb -0.14 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 2c91 s ILE 282 CO 0.02 -0.59 1.13 -0.76 0.00 0.00 0.00 174.94 174.74 2c91 s LEU 283 N 2.66 4.07 0.25 2.97 1.43 0.17 -4.47 118.68 125.75 2c91 s LEU 283 Ca 0.19 2.22 0.11 0.00 -1.03 0.00 0.00 54.13 55.63 2c91 s LEU 283 Cb -0.15 -4.21 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 2c91 s LEU 283 CO 0.17 -0.76 -0.20 -0.83 0.23 0.00 0.00 176.35 174.96 2c91 s GLY 284 N -1.41 1.76 -0.22 -3.19 0.00 -1.26 -0.74 107.32 102.26 2c91 s GLY 284 Ca 0.61 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 2c91 s GLY 284 CO 0.33 -1.85 1.15 -3.16 0.00 0.00 0.00 173.10 169.56 2c91 s MET 285 N -3.30 0.37 0.00 2.90 0.00 -1.26 -4.77 119.30 113.24 2c91 s MET 285 Ca 0.26 0.11 0.05 0.00 0.00 0.00 0.00 55.69 56.11 2c91 s MET 285 Cb -0.05 0.17 0.07 0.00 0.00 0.00 0.00 34.83 35.02 2c91 s MET 285 CO 0.12 -0.11 0.80 -1.13 0.00 0.00 0.00 175.02 174.70 2c91 n SER 286 N 0.73 1.72 -3.54 -1.18 3.41 -1.26 -4.52 113.62 108.97 2c91 n SER 286 Ca -0.06 -1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 56.97 2c91 n SER 286 Cb 0.58 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2c91 n SER 286 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c91 s SER 287 N -0.59 -0.39 0.24 4.04 1.04 -1.26 -4.42 113.70 112.36 2c91 s SER 287 Ca 0.07 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 2c91 s SER 287 Cb 0.04 0.53 0.25 0.00 0.10 0.00 0.00 66.02 66.94 2c91 s SER 287 CO 0.06 -0.89 1.75 0.25 0.98 0.00 0.00 173.24 175.39 2c91 h LEU 288 N 2.25 0.91 -0.69 2.42 5.85 -1.96 -2.60 115.31 121.50 2c91 h LEU 288 Ca -0.34 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 2c91 h LEU 288 Cb 1.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2c91 h LEU 288 CO 0.43 0.91 0.23 -0.08 -0.34 0.00 0.00 178.44 179.58 2c91 h GLU 289 N 0.91 1.06 -0.53 1.25 4.81 -1.99 -1.15 114.58 118.94 2c91 h GLU 289 Ca 0.19 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2c91 h GLU 289 Cb 0.39 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2c91 h GLU 289 CO 0.01 0.91 0.27 1.96 -0.73 0.00 0.00 179.01 181.43 2c91 h GLN 290 N 1.00 0.75 -0.54 1.92 4.20 -1.95 -2.27 115.11 118.21 2c91 h GLN 290 Ca 0.22 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2c91 h GLN 290 Cb 0.28 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2c91 h GLN 290 CO -0.01 0.60 0.25 1.25 -0.67 0.00 0.00 178.83 180.25 2c91 h LEU 291 N 0.70 0.72 -0.40 1.46 5.85 -1.28 0.07 115.31 122.43 2c91 h LEU 291 Ca 0.18 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2c91 h LEU 291 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2c91 h LEU 291 CO -0.03 0.66 0.24 -0.33 -0.34 0.00 0.00 178.44 178.64 2c91 h GLU 292 N 0.73 0.47 -0.85 1.25 4.39 -1.13 0.30 114.58 119.74 2c91 h GLU 292 Ca 0.19 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2c91 h GLU 292 Cb 0.14 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2c91 h GLU 292 CO -0.02 0.31 0.55 0.37 -1.16 0.00 0.00 179.01 179.06 2c91 h GLN 293 N 0.49 1.14 -0.43 2.33 4.15 -1.14 -1.31 115.11 120.34 2c91 h GLN 293 Ca 0.16 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 2c91 h GLN 293 Cb -0.00 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 2c91 h GLN 293 CO -0.07 0.77 -0.15 -0.91 -1.93 0.00 0.00 178.83 176.54 2c91 h ASN 294 N 1.16 0.88 -0.72 -0.69 2.35 -0.40 -2.50 115.58 115.66 2c91 h ASN 294 Ca 0.31 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2c91 h ASN 294 Cb -0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.00 2c91 h ASN 294 CO -0.06 1.06 0.41 -0.07 -1.65 0.00 0.00 177.43 177.11 2c91 h LEU 295 N 0.68 0.91 -0.08 1.61 3.38 -0.26 -2.05 115.31 119.50 2c91 h LEU 295 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2c91 h LEU 295 Cb 0.71 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2c91 h LEU 295 CO 0.05 0.73 0.05 0.00 0.09 0.00 0.00 178.44 179.36 2c91 h ALA 296 N 1.42 0.10 -0.14 1.53 0.00 -1.06 -2.69 119.26 118.43 2c91 h ALA 296 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2c91 h ALA 296 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2c91 h ALA 296 CO -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 179.25 178.83 2c91 h ALA 297 N 1.00 1.76 0.00 0.00 0.00 -1.15 -1.35 119.26 119.52 2c91 h ALA 297 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2c91 h ALA 297 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2c91 h ALA 297 CO -0.01 0.19 -0.07 1.79 0.00 0.00 0.00 179.25 181.15 2c91 h THR 298 N 0.20 0.57 -0.00 0.00 1.35 -1.03 -2.54 112.91 111.46 2c91 h THR 298 Ca 0.05 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2c91 h THR 298 Cb 0.12 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2c91 h THR 298 CO 0.00 0.07 -0.72 -0.62 -0.25 0.00 0.00 175.52 174.00 2c91 n GLU 299 N -3.76 0.20 -1.05 4.72 1.02 -0.52 -4.94 120.64 116.31 2c91 n GLU 299 Ca -0.02 -0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 2c91 n GLU 299 Cb 0.17 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.28 2c91 n GLU 299 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2c91 s GLU 300 N -2.90 0.17 0.00 3.49 2.02 -0.96 -5.06 118.70 115.46 2c91 s GLU 300 Ca 0.11 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2c91 s GLU 300 Cb 0.17 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.70 2c91 s GLU 300 CO 0.75 -2.92 0.00 0.41 0.02 0.00 0.00 175.26 173.52 2c91 n GLY 301 N -0.74 1.34 3.73 -1.39 0.00 -1.26 -5.03 105.19 101.84 2c91 n GLY 301 Ca 0.05 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 2c91 n GLY 301 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c91 s PRO 302 N 0.03 1.95 0.42 1.61 0.02 -1.26 -4.94 135.00 132.84 2c91 s PRO 302 Ca 0.00 1.45 -0.05 0.00 0.02 0.00 0.00 61.00 62.41 2c91 s PRO 302 Cb 0.00 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2c91 s PRO 302 CO 0.00 -1.91 0.72 -0.51 -0.33 0.00 0.00 177.00 174.97 2c91 s LEU 303 N -5.79 3.78 0.54 -5.54 1.43 -1.26 -5.06 118.68 106.78 2c91 s LEU 303 Ca 0.67 0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 54.44 2c91 s LEU 303 Cb -0.22 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 2c91 s LEU 303 CO 0.52 -0.45 1.24 -1.61 0.23 0.00 0.00 176.35 176.28 2c91 s GLU 304 N -4.34 3.25 0.30 1.70 0.41 -1.26 -4.81 118.70 113.94 2c91 s GLU 304 Ca 0.47 1.94 0.05 0.00 -0.41 0.00 0.00 54.97 57.02 2c91 s GLU 304 Cb -0.10 -2.17 0.71 0.00 -1.78 0.00 0.00 34.13 30.79 2c91 s GLU 304 CO 0.39 -1.01 1.77 -1.35 -0.49 0.00 0.00 175.26 174.56 2c91 h PRO 305 N 1.40 0.70 -0.77 0.39 0.11 -1.99 -1.61 132.00 130.24 2c91 h PRO 305 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.60 2c91 h PRO 305 Cb 1.28 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2c91 h PRO 305 CO 0.57 0.47 0.50 0.00 -0.21 0.00 0.00 178.00 179.33 2c91 h ALA 306 N 1.64 1.55 0.03 -0.75 0.00 -1.97 -0.76 119.26 119.00 2c91 h ALA 306 Ca 0.56 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.16 2c91 h ALA 306 Cb 0.87 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.42 2c91 h ALA 306 CO -0.39 0.37 -1.07 0.28 0.00 0.00 0.00 179.25 178.44 2c91 h VAL 307 N 0.93 1.29 -0.59 0.00 2.07 -1.63 -1.36 116.25 116.95 2c91 h VAL 307 Ca 0.31 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.60 2c91 h VAL 307 Cb 0.06 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 2c91 h VAL 307 CO -0.09 0.70 0.28 0.58 0.02 0.00 0.00 177.57 179.06 2c91 h VAL 308 N 0.34 0.89 -0.80 2.57 2.07 -1.02 -0.87 116.25 119.44 2c91 h VAL 308 Ca -0.14 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2c91 h VAL 308 Cb 1.74 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2c91 h VAL 308 CO 0.21 0.09 0.40 -0.08 0.02 0.00 0.00 177.57 178.21 2c91 h GLU 309 N 0.52 1.14 -0.91 1.57 4.57 -1.08 -2.10 114.58 118.29 2c91 h GLU 309 Ca 0.28 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2c91 h GLU 309 Cb 0.24 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2c91 h GLU 309 CO -0.22 0.87 0.53 0.00 -1.18 0.00 0.00 179.01 179.02 2c91 h ALA 310 N 1.21 1.17 -0.58 2.92 0.00 -0.47 0.08 119.26 123.59 2c91 h ALA 310 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2c91 h ALA 310 Cb 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2c91 h ALA 310 CO -0.04 0.64 0.34 0.74 0.00 0.00 0.00 179.25 180.93 2c91 h PHE 311 N 1.26 0.77 -0.28 0.00 0.04 -0.71 -0.36 116.94 117.66 2c91 h PHE 311 Ca 0.33 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.97 2c91 h PHE 311 Cb -0.03 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 2c91 h PHE 311 CO 0.01 0.52 -0.32 -0.44 -0.60 0.00 0.00 178.31 177.48 2c91 h ASP 312 N 0.81 0.76 -0.50 2.17 3.32 -0.57 -1.52 116.42 120.89 2c91 h ASP 312 Ca 0.21 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2c91 h ASP 312 Cb -0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2c91 h ASP 312 CO -0.04 1.10 0.29 1.56 -1.72 0.00 0.00 179.24 180.43 2c91 h GLN 313 N 0.45 0.71 -0.12 3.56 4.20 -0.75 -0.58 115.11 122.58 2c91 h GLN 313 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2c91 h GLN 313 Cb 0.90 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2c91 h GLN 313 CO 0.08 0.52 0.01 0.00 -0.67 0.00 0.00 178.83 178.77 2c91 h ALA 314 N 1.60 0.16 -0.53 3.87 0.00 -0.79 -2.11 119.26 121.46 2c91 h ALA 314 Ca 0.19 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2c91 h ALA 314 Cb 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2c91 h ALA 314 CO -0.03 -0.17 0.23 2.35 0.00 0.00 0.00 179.25 181.62 2c91 h TRP 315 N -0.04 0.41 -0.69 0.00 -0.00 -1.04 -2.26 115.95 112.34 2c91 h TRP 315 Ca 0.04 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.04 2c91 h TRP 315 Cb 0.31 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.32 2c91 h TRP 315 CO 0.02 0.17 0.45 -0.91 -0.00 0.00 0.00 178.44 178.17 2c91 h ASN 316 N 0.44 0.51 0.44 2.65 2.35 -0.76 0.10 115.58 121.32 2c91 h ASN 316 Ca 0.25 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 2c91 h ASN 316 Cb 0.22 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2c91 h ASN 316 CO -0.21 0.31 -0.45 0.24 -1.65 0.00 0.00 177.43 175.66 2c91 h MET 317 N 0.57 0.02 0.00 0.81 2.86 -0.78 -3.27 114.93 115.14 2c91 h MET 317 Ca 0.31 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2c91 h MET 317 Cb 0.47 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2c91 h MET 317 CO -0.10 0.47 -1.77 1.33 1.06 0.00 0.00 176.91 177.90 2c91 n VAL 318 N -4.00 0.00 -0.33 -2.22 0.24 -0.61 -4.68 118.33 106.73 2c91 n VAL 318 Ca -0.02 -0.40 0.15 0.00 -2.04 0.00 0.00 64.34 62.04 2c91 n VAL 318 Cb 0.48 0.18 0.34 0.00 -1.47 0.00 0.00 33.84 33.37 2c91 n VAL 318 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c91 h ALA 319 N 1.97 1.65 0.00 2.33 0.00 -0.89 0.25 119.26 124.56 2c91 h ALA 319 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c91 h ALA 319 Cb 0.85 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2c91 h ALA 319 CO 0.00 -0.23 -0.01 1.12 0.00 0.00 0.00 179.25 180.13 2c91 h HIS 320 N 0.58 0.00 0.00 0.00 2.07 -1.83 -2.24 115.15 113.72 2c91 h HIS 320 Ca 0.60 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.12 2c91 h HIS 320 Cb 1.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 2c91 h HIS 320 CO -0.04 0.01 -0.37 -0.85 -3.07 0.00 0.00 177.93 173.61 2c91 n GLU 321 N -3.31 1.44 -1.83 5.12 0.28 0.84 -5.06 120.64 118.13 2c91 n GLU 321 Ca -0.03 -3.04 -0.41 0.00 -0.16 0.00 0.00 57.16 53.53 2c91 n GLU 321 Cb 0.11 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2c91 n GLU 321 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2c91 s PRO 323 N -2.17 3.66 0.04 0.00 0.04 -1.26 -4.98 135.00 130.33 2c91 s PRO 323 Ca 0.55 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 2c91 s PRO 323 Cb -0.45 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 2c91 s PRO 323 CO 0.61 -0.55 1.39 -0.80 0.04 0.00 0.00 177.00 177.68 2c91 s ASN 324 N -2.09 6.86 0.44 6.66 0.01 -1.26 -4.87 114.94 120.69 2c91 s ASN 324 Ca 0.67 2.18 0.31 0.00 -0.71 0.00 0.00 52.86 55.31 2c91 s ASN 324 Cb -0.17 -2.57 1.42 0.00 0.41 0.00 0.00 41.25 40.34 2c91 s ASN 324 CO 0.24 -0.68 1.92 0.10 -1.51 0.00 0.00 177.10 177.16 2c91 h TYR 325 N 7.47 0.00 -3.30 2.20 -0.00 -1.93 -3.45 116.97 117.96 2c91 h TYR 325 Ca -0.40 0.00 -0.65 0.00 -0.00 0.00 0.00 58.73 57.68 2c91 h TYR 325 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 36.73 37.75 2c91 h TYR 325 CO 0.72 0.00 -0.78 -0.59 -0.00 0.00 0.00 178.16 177.51 2c91 s PHE 326 N -3.63 2.50 0.00 0.10 -0.12 -1.26 -4.28 117.98 111.29 2c91 s PHE 326 Ca 0.00 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 2c91 s PHE 326 Cb 0.09 -1.26 0.00 0.00 -0.63 0.00 0.00 43.02 41.22 2c91 s PHE 326 CO 0.41 0.47 0.01 0.54 -0.05 0.00 0.00 175.22 176.59