#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2k n ASP 2 N 0.00 7.27 -4.36 1.62 9.92 -1.26 -4.96 116.55 124.78 2r2k n ASP 2 Ca 0.00 -3.58 -0.45 0.00 -0.53 0.00 0.00 54.79 50.23 2r2k n ASP 2 Cb 0.00 -1.04 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 2r2k n ASP 2 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2r2k s PRO 3 N -3.20 3.27 0.22 -0.24 0.05 -1.25 -4.64 135.00 129.20 2r2k s PRO 3 Ca 0.54 -1.79 -0.08 0.00 0.05 0.00 0.00 61.00 59.73 2r2k s PRO 3 Cb 0.42 -4.41 0.32 0.00 0.05 0.00 0.00 34.50 30.88 2r2k s PRO 3 CO -0.11 -1.46 1.76 -1.35 0.05 0.00 0.00 177.00 175.88 2r2k h PRO 4 N 8.68 0.49 -1.00 0.56 0.11 -1.93 -3.46 132.00 135.45 2r2k h PRO 4 Ca -0.12 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.18 2r2k h PRO 4 Cb 1.07 -0.11 -0.33 0.00 0.11 0.00 0.00 31.00 31.74 2r2k h PRO 4 CO 0.99 0.33 0.95 0.00 -0.21 0.00 0.00 178.00 180.06 2r2k s ALA 5 N -6.07 -2.23 0.00 -0.75 0.00 -1.26 -5.18 121.76 106.27 2r2k s ALA 5 Ca -0.13 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2r2k s ALA 5 Cb 0.18 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2r2k s ALA 5 CO 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 176.40 2r2k n GLY 7 N 4.51 1.42 3.54 0.00 0.00 -1.26 -4.27 105.19 109.14 2r2k n GLY 7 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2r2k n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2k s SER 8 N 0.00 6.34 -0.08 1.61 1.04 -1.26 -5.06 113.70 116.30 2r2k s SER 8 Ca 0.00 -0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2r2k s SER 8 Cb 0.00 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2r2k s SER 8 CO 0.00 -0.62 -0.17 -0.63 0.98 0.00 0.00 173.24 172.81 2r2k s ILE 9 N 2.61 2.80 -0.26 -1.02 1.01 -1.26 -4.28 121.20 120.80 2r2k s ILE 9 Ca 0.21 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 2r2k s ILE 9 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2r2k s ILE 9 CO 0.16 0.56 1.33 -0.69 0.00 0.00 0.00 174.94 176.31 2r2k s VAL 10 N -0.25 4.11 0.80 2.92 1.01 0.04 -4.92 120.40 124.11 2r2k s VAL 10 Ca 0.01 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 2r2k s VAL 10 Cb -0.13 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.26 2r2k s VAL 10 CO 0.03 -0.39 1.14 -2.84 0.00 0.00 0.00 175.10 173.04 2r2k s PRO 11 N 4.10 1.82 0.21 2.72 0.02 -1.26 -1.55 135.00 141.06 2r2k s PRO 11 Ca 0.58 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.97 2r2k s PRO 11 Cb -0.19 -1.82 0.23 0.00 0.02 0.00 0.00 34.50 32.74 2r2k s PRO 11 CO 0.22 -2.02 1.83 0.00 -0.33 0.00 0.00 177.00 176.71 2r2k h ARG 12 N -1.11 0.78 -0.98 5.54 3.08 -1.95 -2.34 114.38 117.40 2r2k h ARG 12 Ca -0.45 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 59.71 2r2k h ARG 12 Cb 1.26 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.04 2r2k h ARG 12 CO 0.48 0.52 0.62 0.00 -1.07 0.00 0.00 179.97 180.51 2r2k h ARG 13 N 0.81 0.81 -0.17 0.04 2.47 -1.92 -1.29 114.38 115.12 2r2k h ARG 13 Ca 0.30 -0.05 -0.18 0.00 -1.26 0.00 0.00 59.98 58.80 2r2k h ARG 13 Cb 0.10 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2r2k h ARG 13 CO -0.15 0.54 -0.61 1.49 0.56 0.00 0.00 179.97 181.80 2r2k h GLU 14 N 0.84 0.59 -0.57 0.04 4.81 -1.79 -2.78 114.58 115.72 2r2k h GLU 14 Ca 0.52 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2r2k h GLU 14 Cb 0.71 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2r2k h GLU 14 CO -0.29 1.02 0.00 -2.67 -0.73 0.00 0.00 179.01 176.34 2r2k n TRP 15 N -3.94 0.91 -3.62 0.92 4.27 -0.95 -4.94 117.44 110.09 2r2k n TRP 15 Ca -0.04 -0.38 -0.21 0.00 -3.89 0.00 0.00 57.50 52.98 2r2k n TRP 15 Cb 0.64 -0.12 0.05 0.00 -1.36 0.00 0.00 31.31 30.52 2r2k n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2r2k n ARG 16 N 0.78 -4.79 -2.68 -2.67 1.74 -0.58 -4.65 116.66 103.81 2r2k n ARG 16 Ca 0.17 0.67 -0.35 0.00 -0.77 0.00 0.00 57.85 57.57 2r2k n ARG 16 Cb 0.57 -5.27 -0.05 0.00 -1.02 0.00 0.00 32.46 26.68 2r2k n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r2k s ALA 17 N -3.59 3.07 0.79 7.54 0.00 -0.63 -4.99 121.76 123.96 2r2k s ALA 17 Ca 0.06 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2r2k s ALA 17 Cb -0.01 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.96 2r2k s ALA 17 CO 0.80 -0.03 1.09 -0.51 0.00 0.00 0.00 175.76 177.11 2r2k s LEU 18 N -2.78 2.89 0.20 0.00 1.43 -1.26 -4.83 118.68 114.33 2r2k s LEU 18 Ca 0.59 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.12 2r2k s LEU 18 Cb -0.16 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.56 2r2k s LEU 18 CO 0.21 -2.12 1.49 0.00 0.23 0.00 0.00 176.35 176.16 2r2k s ALA 19 N -2.92 3.69 0.21 4.21 0.00 -1.26 -4.97 121.76 120.72 2r2k s ALA 19 Ca 0.61 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 2r2k s ALA 19 Cb -0.17 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 2r2k s ALA 19 CO 0.56 -0.75 1.11 0.45 0.00 0.00 0.00 175.76 177.13 2r2k s SER 20 N 0.75 7.25 -0.24 0.00 0.15 -1.26 -4.94 113.70 115.41 2r2k s SER 20 Ca 0.64 2.16 0.13 0.00 0.70 0.00 0.00 55.95 59.58 2r2k s SER 20 Cb -0.42 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 61.86 2r2k s SER 20 CO 0.37 -0.21 1.53 -0.62 1.20 0.00 0.00 173.24 175.51 2r2k n GLU 21 N 2.02 2.90 -3.61 5.44 1.02 0.22 -5.01 120.64 123.63 2r2k n GLU 21 Ca 0.02 -2.99 -0.34 0.00 -0.02 0.00 0.00 57.16 53.83 2r2k n GLU 21 Cb 0.46 -1.94 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2r2k n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2r2k n ARG 23 N 0.72 2.77 -2.08 0.00 1.74 -1.26 -5.06 116.66 113.48 2r2k n ARG 23 Ca -0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 2r2k n ARG 23 Cb 0.52 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 31.19 2r2k n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2r2k s GLU 24 N -1.07 4.23 -0.05 5.56 2.02 -1.26 -5.01 118.70 123.12 2r2k s GLU 24 Ca 0.00 2.14 -0.05 0.00 0.02 0.00 0.00 54.97 57.08 2r2k s GLU 24 Cb 0.00 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2r2k s GLU 24 CO 0.00 -0.68 0.18 1.03 0.02 0.00 0.00 175.26 175.80 2r2k s ARG 25 N 2.77 3.46 -0.04 1.61 0.52 -1.26 -1.59 118.95 124.42 2r2k s ARG 25 Ca 0.69 -0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 55.41 2r2k s ARG 25 Cb -0.35 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 2r2k s ARG 25 CO 0.29 0.72 0.90 -0.51 0.02 0.00 0.00 175.30 176.71 2r2k s LEU 26 N -1.54 4.33 0.22 2.53 1.43 0.17 -4.71 118.68 121.12 2r2k s LEU 26 Ca 0.22 1.49 -0.31 0.00 -1.03 0.00 0.00 54.13 54.50 2r2k s LEU 26 Cb -0.12 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 2r2k s LEU 26 CO 0.12 -0.25 1.51 0.28 0.23 0.00 0.00 176.35 178.25 2r2k s THR 27 N 1.12 2.57 -0.14 5.49 -1.32 -1.26 -4.89 115.64 117.20 2r2k s THR 27 Ca 0.47 0.45 -0.08 0.00 -1.21 0.00 0.00 61.69 61.32 2r2k s THR 27 Cb -0.20 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.46 2r2k s THR 27 CO 0.23 0.06 0.14 -0.60 -2.21 0.00 0.00 174.62 172.24 2r2k s ARG 28 N 0.19 3.70 1.08 7.08 3.52 -1.26 -4.26 118.95 129.00 2r2k s ARG 28 Ca 0.64 -0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 55.91 2r2k s ARG 28 Cb -0.43 -3.27 0.24 0.00 -1.56 0.00 0.00 34.95 29.93 2r2k s ARG 28 CO 0.39 0.62 1.24 -2.14 -0.81 0.00 0.00 175.30 174.60 2r2k s PRO 29 N -0.56 -0.26 -0.01 5.12 0.02 -1.26 -5.13 135.00 132.92 2r2k s PRO 29 Ca 0.13 -0.30 0.05 0.00 0.02 0.00 0.00 61.00 60.89 2r2k s PRO 29 Cb -0.12 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 2r2k s PRO 29 CO 0.02 -3.03 -0.14 0.08 -0.33 0.00 0.00 177.00 173.59 2r2k s VAL 30 N -3.53 3.06 -0.16 3.83 1.01 0.01 -4.92 120.40 119.70 2r2k s VAL 30 Ca 0.73 -0.89 0.18 0.00 0.00 0.00 0.00 61.98 62.00 2r2k s VAL 30 Cb -0.06 -2.25 -0.25 0.00 0.00 0.00 0.00 36.38 33.83 2r2k s VAL 30 CO 0.54 0.48 0.24 -1.14 0.00 0.00 0.00 175.10 175.22 2r2k n ARG 31 N 1.94 0.67 -4.83 2.72 0.63 -1.25 -2.45 116.66 114.10 2r2k n ARG 31 Ca -0.16 0.03 -0.32 0.00 -0.92 0.00 0.00 57.85 56.48 2r2k n ARG 31 Cb 0.52 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.73 2r2k n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2r2k s TYR 32 N -2.63 2.63 -0.13 -0.14 1.51 -1.19 -0.17 117.35 117.22 2r2k s TYR 32 Ca -0.09 -0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2r2k s TYR 32 Cb 0.07 -1.56 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 2r2k s TYR 32 CO 0.84 0.20 -0.09 0.08 -1.11 0.00 0.00 175.55 175.47 2r2k s VAL 33 N -0.80 1.17 -0.23 0.71 1.01 -0.14 0.07 120.40 122.19 2r2k s VAL 33 Ca 0.13 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2r2k s VAL 33 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2r2k s VAL 33 CO 0.02 0.35 0.12 -0.69 0.00 0.00 0.00 175.10 174.91 2r2k s VAL 34 N 1.64 5.00 -0.18 2.92 1.01 0.27 -0.12 120.40 130.94 2r2k s VAL 34 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2r2k s VAL 34 Cb -0.13 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2r2k s VAL 34 CO -0.09 0.36 0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2r2k s VAL 35 N 1.08 5.32 0.26 2.92 1.01 -0.26 -2.39 120.40 128.34 2r2k s VAL 35 Ca 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2r2k s VAL 35 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2r2k s VAL 35 CO 0.04 0.49 0.37 -0.94 0.00 0.00 0.00 175.10 175.06 2r2k s SER 36 N 0.01 0.34 0.22 3.32 1.04 -1.14 -1.11 113.70 116.38 2r2k s SER 36 Ca 0.09 -1.25 0.10 0.00 0.48 0.00 0.00 55.95 55.37 2r2k s SER 36 Cb -0.11 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 2r2k s SER 36 CO -0.00 -1.10 -0.20 -1.38 0.98 0.00 0.00 173.24 171.54 2r2k s HIS 37 N -3.76 2.09 -0.94 5.02 -3.43 -0.44 -1.31 115.29 112.53 2r2k s HIS 37 Ca 0.30 -0.41 0.28 0.00 -0.80 0.00 0.00 55.06 54.44 2r2k s HIS 37 Cb 0.02 -0.98 1.10 0.00 -1.43 0.00 0.00 32.58 31.28 2r2k s HIS 37 CO 0.14 0.51 1.86 0.25 -2.00 0.00 0.00 174.74 175.50 2r2k n THR 38 N -0.11 0.14 -2.34 -5.38 -2.24 -0.81 -4.91 114.28 98.63 2r2k n THR 38 Ca -0.10 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2r2k n THR 38 Cb 0.58 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 2r2k n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r2k n ALA 39 N -1.57 -0.69 -2.78 6.98 0.00 -1.05 -4.85 120.51 116.55 2r2k n ALA 39 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2r2k n ALA 39 Cb 0.36 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2r2k n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r2k n GLY 40 N -0.81 4.92 3.77 0.00 0.00 -1.26 -4.62 105.19 107.20 2r2k n GLY 40 Ca -0.17 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 2r2k n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r2k s SER 41 N 0.57 7.40 0.65 1.61 0.01 -1.26 -2.65 113.70 120.03 2r2k s SER 41 Ca 0.00 1.81 -0.03 0.00 1.31 0.00 0.00 55.95 59.05 2r2k s SER 41 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 2r2k s SER 41 CO 0.00 0.03 0.92 -1.38 0.41 0.00 0.00 173.24 173.22 2r2k s HIS 42 N -1.45 2.62 -0.02 2.43 -0.00 -1.26 -4.28 115.29 113.33 2r2k s HIS 42 Ca 0.46 0.12 -0.20 0.00 -0.00 0.00 0.00 55.06 55.44 2r2k s HIS 42 Cb -0.21 -3.01 0.04 0.00 -0.00 0.00 0.00 32.58 29.40 2r2k s HIS 42 CO 0.26 -1.28 0.43 0.00 -0.00 0.00 0.00 174.74 174.15 2r2k n ASP 44 N 1.09 0.85 -4.63 0.00 5.68 -1.26 -3.19 116.55 115.09 2r2k n ASP 44 Ca -0.21 -1.28 -0.32 0.00 -0.50 0.00 0.00 54.79 52.48 2r2k n ASP 44 Cb 0.57 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 2r2k n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2r2k s THR 45 N -0.28 3.87 0.59 2.12 -4.23 -1.26 -4.37 115.64 112.08 2r2k s THR 45 Ca 0.00 -0.69 0.31 0.00 -1.18 0.00 0.00 61.69 60.13 2r2k s THR 45 Cb 0.00 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.50 2r2k s THR 45 CO 0.00 0.39 2.27 -0.65 -0.54 0.00 0.00 174.62 176.09 2r2k h PRO 46 N 4.47 0.00 -0.01 3.99 0.11 -1.96 -1.27 132.00 137.34 2r2k h PRO 46 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2r2k h PRO 46 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2r2k h PRO 46 CO 0.55 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.19 2r2k h ALA 47 N 2.00 0.03 0.00 -0.75 0.00 -2.00 -2.78 119.26 115.76 2r2k h ALA 47 Ca -0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2r2k h ALA 47 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2r2k h ALA 47 CO 0.00 0.00 -0.63 0.66 0.00 0.00 0.00 179.25 179.29 2r2k h SER 48 N -0.56 0.00 0.40 0.00 4.64 -1.88 -2.96 113.55 113.20 2r2k h SER 48 Ca -0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 2r2k h SER 48 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2r2k h SER 48 CO 0.03 0.63 -0.69 0.00 -0.87 0.00 0.00 176.83 175.92 2r2k h ALA 50 N 1.10 1.46 -0.00 0.00 0.00 -1.42 -0.35 119.26 120.04 2r2k h ALA 50 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2r2k h ALA 50 Cb 1.24 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2r2k h ALA 50 CO 0.11 0.40 -0.79 0.37 0.00 0.00 0.00 179.25 179.33 2r2k h GLN 51 N 0.06 0.54 0.00 0.00 4.15 -1.26 -2.99 115.11 115.61 2r2k h GLN 51 Ca 0.01 -0.58 -0.03 0.00 0.77 0.00 0.00 58.65 58.82 2r2k h GLN 51 Cb 0.54 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 2r2k h GLN 51 CO 0.04 1.20 -0.12 1.96 -1.93 0.00 0.00 178.83 179.98 2r2k h GLN 52 N 0.12 0.00 -0.19 1.69 1.08 -0.39 -1.65 115.11 115.77 2r2k h GLN 52 Ca -0.10 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2r2k h GLN 52 Cb 1.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 2r2k h GLN 52 CO 0.16 0.12 -0.05 0.00 -0.95 0.00 0.00 178.83 178.11 2r2k h ALA 53 N 1.88 0.26 -0.99 3.87 0.00 -1.00 -2.95 119.26 120.32 2r2k h ALA 53 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2r2k h ALA 53 Cb 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2r2k h ALA 53 CO 0.02 0.03 0.66 1.96 0.00 0.00 0.00 179.25 181.92 2r2k h GLN 54 N 0.08 1.29 0.15 0.00 4.20 -1.16 -2.13 115.11 117.54 2r2k h GLN 54 Ca 0.05 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2r2k h GLN 54 Cb 0.50 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2r2k h GLN 54 CO 0.02 0.86 -0.07 -0.91 -0.67 0.00 0.00 178.83 178.05 2r2k h ASN 55 N 1.33 -0.17 -0.55 1.46 2.35 -1.44 0.44 115.58 119.01 2r2k h ASN 55 Ca 0.37 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2r2k h ASN 55 Cb -0.13 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2r2k h ASN 55 CO -0.09 -0.12 0.32 0.58 -1.65 0.00 0.00 177.43 176.48 2r2k h VAL 56 N -0.20 1.17 -0.65 2.81 2.07 -1.38 -1.04 116.25 119.02 2r2k h VAL 56 Ca -0.02 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2r2k h VAL 56 Cb 0.16 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2r2k h VAL 56 CO 0.03 0.18 0.14 -0.61 0.02 0.00 0.00 177.57 177.32 2r2k h GLN 57 N 0.73 1.06 -0.09 1.57 4.15 -1.11 -2.50 115.11 118.92 2r2k h GLN 57 Ca 0.20 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 2r2k h GLN 57 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2r2k h GLN 57 CO -0.04 0.96 -0.53 0.66 -1.93 0.00 0.00 178.83 177.95 2r2k h SER 58 N 0.98 0.29 0.35 -0.69 4.64 0.18 -1.40 113.55 117.90 2r2k h SER 58 Ca 0.20 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 2r2k h SER 58 Cb 0.40 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2r2k h SER 58 CO 0.01 0.77 -0.43 0.22 -0.87 0.00 0.00 176.83 176.53 2r2k h TYR 59 N 0.21 0.13 0.01 4.77 3.20 -1.08 0.11 116.97 124.32 2r2k h TYR 59 Ca 0.00 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.63 2r2k h TYR 59 Cb 1.01 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 2r2k h TYR 59 CO 0.02 0.53 -0.97 0.45 -1.64 0.00 0.00 178.16 176.55 2r2k h HIS 60 N 0.09 0.05 0.00 -3.82 3.86 -1.17 -2.66 115.15 111.50 2r2k h HIS 60 Ca 0.01 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2r2k h HIS 60 Cb 0.80 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 2r2k h HIS 60 CO 0.01 0.97 -0.72 0.28 0.86 0.00 0.00 177.93 179.33 2r2k h VAL 61 N 0.01 0.33 0.00 2.45 2.07 -1.05 -0.80 116.25 119.26 2r2k h VAL 61 Ca -0.02 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 2r2k h VAL 61 Cb 1.69 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2r2k h VAL 61 CO 0.13 0.11 -0.08 0.03 0.02 0.00 0.00 177.57 177.78 2r2k h ARG 62 N -1.00 0.00 0.00 1.57 3.08 -0.97 -2.33 114.38 114.73 2r2k h ARG 62 Ca -0.11 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 2r2k h ARG 62 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2r2k h ARG 62 CO -0.07 0.08 -1.70 0.09 -1.07 0.00 0.00 179.97 177.31 2r2k n ASN 63 N -3.14 2.89 -0.82 7.04 3.02 -1.12 -4.63 115.26 118.50 2r2k n ASN 63 Ca 0.03 -0.04 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 2r2k n ASN 63 Cb 0.50 0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.87 2r2k n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2r2k n LEU 64 N -2.70 2.71 -1.56 3.41 4.77 -1.02 -4.99 117.00 117.62 2r2k n LEU 64 Ca -0.20 -0.97 -0.19 0.00 -0.03 0.00 0.00 56.01 54.62 2r2k n LEU 64 Cb 0.76 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.77 2r2k n LEU 64 CO 0.15 0.46 -0.18 0.61 -1.33 0.00 0.00 177.39 177.10 2r2k n GLY 65 N 1.25 1.79 3.81 -0.72 0.00 -0.88 -4.94 105.19 105.50 2r2k n GLY 65 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2r2k n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2r2k s TRP 66 N -2.62 3.05 -0.02 1.61 0.51 -0.32 -4.94 118.94 116.21 2r2k s TRP 66 Ca 0.00 1.50 0.29 0.00 -2.12 0.00 0.00 56.10 55.77 2r2k s TRP 66 Cb 0.00 -2.98 1.46 0.00 -0.81 0.00 0.00 33.47 31.14 2r2k s TRP 66 CO 0.00 -1.04 1.89 0.00 -0.51 0.00 0.00 176.95 177.28 2r2k s ASP 68 N -4.57 -0.00 0.54 0.00 2.15 -1.26 -0.61 116.67 112.92 2r2k s ASP 68 Ca -0.01 -0.37 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 2r2k s ASP 68 Cb 0.09 0.28 -0.06 0.00 -0.30 0.00 0.00 42.92 42.92 2r2k s ASP 68 CO 0.34 -0.55 1.06 0.55 -0.17 0.00 0.00 175.17 176.40 2r2k n VAL 69 N -0.78 3.39 0.10 1.11 3.14 -1.26 -4.69 118.33 119.33 2r2k n VAL 69 Ca -0.00 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.87 2r2k n VAL 69 Cb 0.59 -1.26 0.25 0.00 -1.06 0.00 0.00 33.84 32.36 2r2k n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2r2k h GLY 70 N 0.96 0.25 -3.35 7.55 0.00 -1.90 -3.43 103.07 103.15 2r2k h GLY 70 Ca -0.48 -0.22 -0.52 0.00 0.00 0.00 0.00 47.33 46.10 2r2k h GLY 70 CO 0.54 0.20 -0.06 -0.19 0.00 0.00 0.00 176.54 177.03 2r2k s TYR 71 N -4.23 3.42 0.17 5.60 1.51 -1.26 -3.43 117.35 119.12 2r2k s TYR 71 Ca -0.05 0.94 -0.05 0.00 -1.01 0.00 0.00 57.07 56.90 2r2k s TYR 71 Cb 0.14 -2.31 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2r2k s TYR 71 CO 0.76 0.20 1.45 -0.91 -1.11 0.00 0.00 175.55 175.95 2r2k h ASN 72 N 2.33 0.68 -5.03 2.29 4.21 -1.20 -2.39 115.58 116.47 2r2k h ASN 72 Ca -0.47 -0.39 -0.15 0.00 1.21 0.00 0.00 56.30 56.50 2r2k h ASN 72 Cb 1.17 -0.20 -0.20 0.00 -1.12 0.00 0.00 38.32 37.98 2r2k h ASN 72 CO 0.68 1.13 -0.60 -0.36 -1.29 0.00 0.00 177.43 177.00 2r2k s PHE 73 N -3.89 0.20 0.01 1.19 0.40 -1.12 -1.20 117.98 113.56 2r2k s PHE 73 Ca -0.08 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 55.87 2r2k s PHE 73 Cb 0.11 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.46 2r2k s PHE 73 CO 0.86 -0.28 -0.21 -0.51 0.70 0.00 0.00 175.22 175.78 2r2k s LEU 74 N -1.71 2.37 -0.19 -0.37 2.01 0.11 -1.98 118.68 118.91 2r2k s LEU 74 Ca -0.11 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.60 2r2k s LEU 74 Cb -0.06 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 44.74 2r2k s LEU 74 CO -0.02 0.29 -0.16 -0.63 1.01 0.00 0.00 176.35 176.84 2r2k s ILE 75 N -0.77 2.37 0.23 -0.59 1.09 -0.77 0.12 121.20 122.88 2r2k s ILE 75 Ca 0.12 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.82 2r2k s ILE 75 Cb -0.10 -2.03 -0.03 0.00 -1.06 0.00 0.00 42.46 39.23 2r2k s ILE 75 CO 0.02 0.49 0.38 -0.83 -0.10 0.00 0.00 174.94 174.90 2r2k s GLY 76 N 1.32 1.45 0.00 6.18 0.00 -0.73 -1.04 107.32 114.51 2r2k s GLY 76 Ca 0.05 -1.06 0.23 0.00 0.00 0.00 0.00 44.72 43.94 2r2k s GLY 76 CO -0.10 -1.05 1.82 1.18 0.00 0.00 0.00 173.10 174.95 2r2k n GLU 77 N -1.15 0.91 0.00 2.90 1.02 -1.19 -1.67 120.64 121.45 2r2k n GLU 77 Ca -0.07 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.21 2r2k n GLU 77 Cb 0.56 -1.39 0.55 0.00 -0.02 0.00 0.00 31.44 31.14 2r2k n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2r2k n ASP 78 N -0.89 0.41 0.00 1.62 5.68 -1.25 -4.77 116.55 117.35 2r2k n ASP 78 Ca 0.17 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 2r2k n ASP 78 Cb 0.08 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2r2k n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r2k n GLY 79 N 1.35 0.60 3.28 6.12 0.00 -0.67 -4.95 105.19 110.91 2r2k n GLY 79 Ca 0.12 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2r2k n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r2k s LEU 80 N 0.00 2.05 -0.11 0.99 1.43 -1.24 -4.68 118.68 117.11 2r2k s LEU 80 Ca 0.00 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 2r2k s LEU 80 Cb 0.00 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2r2k s LEU 80 CO 0.00 0.27 0.74 -0.69 0.23 0.00 0.00 176.35 176.90 2r2k s VAL 81 N -0.34 4.99 -0.12 -1.59 1.01 -1.26 -1.77 120.40 121.31 2r2k s VAL 81 Ca 0.02 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 2r2k s VAL 81 Cb -0.12 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2r2k s VAL 81 CO 0.02 0.16 0.06 -0.31 0.00 0.00 0.00 175.10 175.03 2r2k s TYR 82 N 1.38 3.32 -0.08 5.22 1.51 0.32 -0.78 117.35 128.24 2r2k s TYR 82 Ca 0.37 0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 56.38 2r2k s TYR 82 Cb -0.17 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2r2k s TYR 82 CO 0.16 0.45 1.04 -2.00 -1.11 0.00 0.00 175.55 174.09 2r2k s GLU 83 N -0.55 4.43 0.00 -0.62 2.12 -0.60 0.04 118.70 123.53 2r2k s GLU 83 Ca 0.11 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2r2k s GLU 83 Cb -0.12 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.74 2r2k s GLU 83 CO 0.02 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2r2k n GLY 84 N 3.12 0.70 0.17 -1.50 0.00 -0.48 -4.57 105.19 102.62 2r2k n GLY 84 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2r2k n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r2k h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -0.85 -3.48 114.38 114.74 2r2k h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2r2k h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2r2k h ARG 85 CO 0.00 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.60 2r2k n GLY 86 N 1.18 -2.16 0.12 0.04 0.00 -0.34 -4.19 105.19 99.84 2r2k n GLY 86 Ca 0.03 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.46 2r2k n GLY 86 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r2k n TRP 87 N -0.11 0.94 -0.02 1.61 7.02 -1.26 -4.15 117.44 121.47 2r2k n TRP 87 Ca 0.00 0.30 0.07 0.00 -1.02 0.00 0.00 57.50 56.85 2r2k n TRP 87 Cb 0.00 -0.99 -0.15 0.00 -2.42 0.00 0.00 31.31 27.75 2r2k n TRP 87 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2r2k n ASN 88 N -2.30 0.53 -4.71 -0.99 3.02 -1.26 -4.84 115.26 104.71 2r2k n ASN 88 Ca 0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.26 2r2k n ASN 88 Cb 0.37 1.74 -0.08 0.00 -0.61 0.00 0.00 39.78 41.19 2r2k n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2r2k s ILE 89 N -3.21 4.34 0.38 2.41 1.09 -1.26 -0.65 121.20 124.30 2r2k s ILE 89 Ca -0.07 -0.47 -0.26 0.00 -1.10 0.00 0.00 60.65 58.75 2r2k s ILE 89 Cb 0.11 -2.92 -0.09 0.00 -1.06 0.00 0.00 42.46 38.50 2r2k s ILE 89 CO 0.80 0.42 1.16 -0.75 -0.10 0.00 0.00 174.94 176.47 2r2k s LYS 90 N -1.45 4.16 -0.14 2.79 2.20 -0.62 -4.66 119.74 122.02 2r2k s LYS 90 Ca 0.19 1.83 -0.04 0.00 -0.36 0.00 0.00 55.97 57.59 2r2k s LYS 90 Cb -0.12 -2.76 0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2r2k s LYS 90 CO 0.09 -0.23 0.17 0.20 -0.36 0.00 0.00 175.35 175.23 2r2k s GLY 91 N -1.09 0.07 -0.37 5.54 0.00 -1.26 -4.92 107.32 105.28 2r2k s GLY 91 Ca 0.55 0.36 -0.38 0.00 0.00 0.00 0.00 44.72 45.25 2r2k s GLY 91 CO 0.39 1.85 2.10 0.00 0.00 0.00 0.00 173.10 177.44 2r2k n ALA 92 N 5.32 0.68 0.00 3.20 0.00 -1.22 -4.70 120.51 123.78 2r2k n ALA 92 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2r2k n ALA 92 Cb 0.50 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2r2k n ALA 92 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2r2k n HIS 93 N 8.55 0.00 -2.56 0.00 1.44 -1.26 -4.42 115.22 116.97 2r2k n HIS 93 Ca 0.41 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 56.12 2r2k n HIS 93 Cb 0.15 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.30 2r2k n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2r2k n ALA 94 N -0.21 2.78 0.00 1.59 0.00 -1.26 -5.10 120.51 118.31 2r2k n ALA 94 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.50 2r2k n ALA 94 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2r2k n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r2k n GLY 95 N -0.34 1.06 0.17 0.00 0.00 -1.26 -4.47 105.19 100.35 2r2k n GLY 95 Ca -0.04 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.49 2r2k n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r2k h PRO 96 N 0.00 0.00 0.00 1.61 0.13 -1.99 0.58 132.00 132.33 2r2k h PRO 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2r2k h PRO 96 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2r2k h PRO 96 CO 0.00 0.00 -0.30 -2.37 -0.23 0.00 0.00 178.00 175.10 2r2k n THR 97 N -2.43 0.35 -0.01 1.56 5.66 -1.26 -4.29 114.28 113.86 2r2k n THR 97 Ca 0.01 -0.21 -0.01 0.00 -3.05 0.00 0.00 64.05 60.80 2r2k n THR 97 Cb 0.23 -0.30 -0.03 0.00 -1.55 0.00 0.00 70.33 68.68 2r2k n THR 97 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2r2k n TRP 98 N -2.01 0.00 0.05 1.09 7.02 -0.79 -4.77 117.44 118.03 2r2k n TRP 98 Ca 0.05 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.64 2r2k n TRP 98 Cb 0.41 -0.14 0.57 0.00 -2.42 0.00 0.00 31.31 29.73 2r2k n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2r2k h ASN 99 N 0.00 0.19 0.69 -0.99 2.35 -1.09 -2.54 115.58 114.19 2r2k h ASN 99 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2r2k h ASN 99 Cb 1.02 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2r2k h ASN 99 CO 0.00 0.12 -0.13 -2.65 -1.65 0.00 0.00 177.43 173.13 2r2k n PRO 100 N -4.47 0.22 0.00 0.81 -0.02 -1.26 -4.02 135.00 126.26 2r2k n PRO 100 Ca 0.05 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2r2k n PRO 100 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2r2k n PRO 100 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2r2k n ILE 101 N -1.34 0.59 -4.03 4.25 -0.00 -0.99 -4.54 119.36 113.30 2r2k n ILE 101 Ca 0.09 -0.70 -0.10 0.00 -0.00 0.00 0.00 62.75 62.05 2r2k n ILE 101 Cb 0.31 0.76 -0.11 0.00 -0.00 0.00 0.00 39.64 40.60 2r2k n ILE 101 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2r2k s SER 102 N -0.59 0.51 0.01 7.28 1.04 -1.02 -3.18 113.70 117.75 2r2k s SER 102 Ca 0.00 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 2r2k s SER 102 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 2r2k s SER 102 CO 0.00 -0.33 0.36 -0.63 0.98 0.00 0.00 173.24 173.62 2r2k s ILE 103 N -1.96 5.13 -0.27 -1.02 1.09 0.11 -4.87 121.20 119.41 2r2k s ILE 103 Ca -0.09 0.61 0.03 0.00 -1.10 0.00 0.00 60.65 60.10 2r2k s ILE 103 Cb -0.06 -3.64 0.07 0.00 -1.06 0.00 0.00 42.46 37.76 2r2k s ILE 103 CO -0.02 0.49 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.40 2r2k s GLY 104 N -1.30 1.65 -0.03 6.18 0.00 -1.26 -0.57 107.32 111.99 2r2k s GLY 104 Ca 0.25 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.16 2r2k s GLY 104 CO 0.14 0.69 -0.01 -0.26 0.00 0.00 0.00 173.10 173.66 2r2k s ILE 105 N 1.11 4.15 -0.07 0.90 -4.36 -1.00 -0.69 121.20 121.25 2r2k s ILE 105 Ca -0.06 -0.49 -0.00 0.00 -0.26 0.00 0.00 60.65 59.84 2r2k s ILE 105 Cb -0.20 -2.81 0.03 0.00 1.25 0.00 0.00 42.46 40.73 2r2k s ILE 105 CO -0.06 0.46 -0.03 -0.55 0.24 0.00 0.00 174.94 175.01 2r2k s SER 106 N -1.29 1.43 0.18 4.36 0.15 -0.84 -2.88 113.70 114.82 2r2k s SER 106 Ca 0.17 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.39 2r2k s SER 106 Cb -0.11 -0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 63.61 2r2k s SER 106 CO 0.07 -0.13 1.30 -0.36 1.20 0.00 0.00 173.24 175.32 2r2k s PHE 107 N 1.54 3.27 -0.91 3.44 0.40 -0.43 -1.84 117.98 123.45 2r2k s PHE 107 Ca -0.01 1.21 -0.24 0.00 -0.60 0.00 0.00 56.93 57.29 2r2k s PHE 107 Cb -0.13 -3.59 0.05 0.00 0.51 0.00 0.00 43.02 39.86 2r2k s PHE 107 CO -0.04 -1.85 1.36 -1.64 0.70 0.00 0.00 175.22 173.75 2r2k s MET 108 N 0.03 3.44 0.00 0.44 -1.94 -0.20 -1.93 119.30 119.14 2r2k s MET 108 Ca 0.57 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 2r2k s MET 108 Cb -0.36 -4.91 0.00 0.00 2.01 0.00 0.00 34.83 31.57 2r2k s MET 108 CO 0.37 -2.15 0.00 0.41 -0.01 0.00 0.00 175.02 173.64 2r2k n GLY 109 N 6.26 2.05 3.46 -0.03 0.00 -1.26 -4.23 105.19 111.44 2r2k n GLY 109 Ca 0.21 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2r2k n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r2k s ASN 110 N 0.00 6.03 -0.70 1.61 2.47 -1.08 -2.53 114.94 120.73 2r2k s ASN 110 Ca 0.00 -0.81 -0.01 0.00 0.42 0.00 0.00 52.86 52.46 2r2k s ASN 110 Cb 0.00 -2.13 0.41 0.00 -1.45 0.00 0.00 41.25 38.08 2r2k s ASN 110 CO 0.00 -0.39 1.92 -1.22 -3.72 0.00 0.00 177.10 173.69 2r2k n TYR 111 N 5.12 3.11 -0.03 0.43 4.02 -1.26 -4.57 117.16 123.97 2r2k n TYR 111 Ca -0.12 -2.69 -0.13 0.00 -0.01 0.00 0.00 57.90 54.96 2r2k n TYR 111 Cb 0.47 -1.18 -0.08 0.00 -0.02 0.00 0.00 39.34 38.53 2r2k n TYR 111 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 2r2k h MET 112 N 2.47 0.15 0.00 -0.72 4.05 -1.89 -3.17 114.93 115.82 2r2k h MET 112 Ca 0.56 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 2r2k h MET 112 Cb 0.54 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2r2k h MET 112 CO 1.43 0.52 0.00 0.09 0.23 0.00 0.00 176.91 179.18 2r2k n ASN 113 N -4.77 0.00 0.00 1.39 4.13 -1.26 -3.21 115.26 111.54 2r2k n ASN 113 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2r2k n ASN 113 Cb 0.25 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2r2k n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2r2k n ARG 114 N 0.00 0.00 -3.92 3.52 1.74 -1.26 -4.45 116.66 112.30 2r2k n ARG 114 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2r2k n ARG 114 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2r2k n ARG 114 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2r2k s VAL 115 N 0.00 5.30 0.35 1.55 -7.23 -1.26 -4.54 120.40 114.57 2r2k s VAL 115 Ca 0.00 -0.72 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 2r2k s VAL 115 Cb 0.00 -3.77 -0.10 0.00 0.56 0.00 0.00 36.38 33.07 2r2k s VAL 115 CO 0.00 -0.16 0.97 -2.84 -0.31 0.00 0.00 175.10 172.75 2r2k s PRO 116 N -3.43 4.46 0.51 4.82 0.02 -1.26 -5.00 135.00 135.12 2r2k s PRO 116 Ca 0.35 1.33 -0.22 0.00 0.02 0.00 0.00 61.00 62.48 2r2k s PRO 116 Cb -0.11 -2.66 -0.06 0.00 0.02 0.00 0.00 34.50 31.70 2r2k s PRO 116 CO 0.29 0.16 1.26 -2.14 -0.33 0.00 0.00 177.00 176.23 2r2k s PRO 117 N -2.30 3.39 0.27 5.54 0.02 -1.26 -4.80 135.00 135.85 2r2k s PRO 117 Ca 0.53 1.99 0.06 0.00 0.02 0.00 0.00 61.00 63.61 2r2k s PRO 117 Cb -0.18 -2.28 0.77 0.00 0.02 0.00 0.00 34.50 32.83 2r2k s PRO 117 CO 0.23 -0.92 1.27 -2.30 -0.33 0.00 0.00 177.00 174.95 2r2k n PRO 118 N -0.86 -0.06 0.28 5.54 -0.02 -1.26 -0.04 135.00 138.58 2r2k n PRO 118 Ca 0.09 1.18 0.14 0.00 -2.02 0.00 0.00 63.50 62.90 2r2k n PRO 118 Cb 0.47 -1.94 0.81 0.00 -0.02 0.00 0.00 33.50 32.82 2r2k n PRO 118 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2r2k h ARG 119 N 0.00 0.00 0.13 -0.52 0.11 -1.93 -0.11 114.38 112.06 2r2k h ARG 119 Ca 0.55 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.34 2r2k h ARG 119 Cb 1.27 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.37 2r2k h ARG 119 CO -0.71 0.08 -1.25 0.00 0.10 0.00 0.00 179.97 178.18 2r2k h ALA 120 N 1.92 0.05 -0.07 0.08 0.00 -0.70 -1.80 119.26 118.74 2r2k h ALA 120 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 2r2k h ALA 120 Cb 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2r2k h ALA 120 CO 0.01 0.79 -0.50 -0.07 0.00 0.00 0.00 179.25 179.48 2r2k h LEU 121 N 0.19 0.20 -0.45 0.00 3.38 -1.32 -2.47 115.31 114.84 2r2k h LEU 121 Ca -0.17 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 2r2k h LEU 121 Cb 1.93 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 2r2k h LEU 121 CO 0.23 0.67 -0.57 0.03 0.09 0.00 0.00 178.44 178.88 2r2k h ARG 122 N 0.15 0.62 -0.82 1.13 3.08 -1.02 -1.98 114.38 115.54 2r2k h ARG 122 Ca 0.00 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 2r2k h ARG 122 Cb 0.94 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 2r2k h ARG 122 CO 0.08 1.02 0.46 0.00 -1.07 0.00 0.00 179.97 180.46 2r2k h ALA 123 N 0.89 1.05 0.06 0.04 0.00 -1.00 -1.42 119.26 118.88 2r2k h ALA 123 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 2r2k h ALA 123 Cb 1.14 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2r2k h ALA 123 CO 0.11 0.54 -1.10 0.00 0.00 0.00 0.00 179.25 178.80 2r2k h ALA 124 N 1.25 0.19 0.00 0.00 0.00 -1.42 -2.02 119.26 117.25 2r2k h ALA 124 Ca 0.29 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2r2k h ALA 124 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2r2k h ALA 124 CO -0.05 0.80 -0.46 1.96 0.00 0.00 0.00 179.25 181.51 2r2k h GLN 125 N 0.22 0.00 0.07 0.00 4.20 -1.23 -1.95 115.11 116.41 2r2k h GLN 125 Ca -0.13 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.32 2r2k h GLN 125 Cb 1.77 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.56 2r2k h GLN 125 CO 0.20 0.46 -1.11 -0.97 -0.67 0.00 0.00 178.83 176.74 2r2k h ASN 126 N 0.00 0.63 0.07 1.46 -1.24 -1.27 -2.39 115.58 112.83 2r2k h ASN 126 Ca -0.00 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.45 2r2k h ASN 126 Cb 0.81 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.66 2r2k h ASN 126 CO 0.06 1.38 -0.06 0.25 -1.29 0.00 0.00 177.43 177.78 2r2k h LEU 127 N 0.21 -0.14 -1.18 0.34 5.85 -1.07 0.19 115.31 119.51 2r2k h LEU 127 Ca -0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2r2k h LEU 127 Cb 1.77 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 2r2k h LEU 127 CO 0.20 -0.09 0.40 -0.07 -0.34 0.00 0.00 178.44 178.54 2r2k h LEU 128 N -0.13 0.86 -1.26 2.25 3.38 -1.42 0.32 115.31 119.31 2r2k h LEU 128 Ca -0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2r2k h LEU 128 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2r2k h LEU 128 CO -0.01 0.68 -0.12 0.00 0.09 0.00 0.00 178.44 179.08 2r2k h ALA 129 N 1.47 1.39 -0.17 1.53 0.00 -0.76 -1.76 119.26 120.94 2r2k h ALA 129 Ca 0.25 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2r2k h ALA 129 Cb -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2r2k h ALA 129 CO -0.04 0.42 -0.65 0.00 0.00 0.00 0.00 179.25 178.98 2r2k h GLY 131 N 0.92 1.66 1.15 0.00 0.00 -0.11 0.20 103.07 106.90 2r2k h GLY 131 Ca -0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 2r2k h GLY 131 CO 0.13 0.08 -0.48 -2.08 0.00 0.00 0.00 176.54 174.18 2r2k h VAL 132 N 0.89 1.27 -0.26 4.60 2.07 -1.40 0.10 116.25 123.53 2r2k h VAL 132 Ca 0.52 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2r2k h VAL 132 Cb 0.62 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2r2k h VAL 132 CO -0.31 0.55 0.15 0.00 0.02 0.00 0.00 177.57 177.98 2r2k h ALA 133 N 0.73 0.33 0.00 1.67 0.00 -0.72 -2.24 119.26 119.02 2r2k h ALA 133 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r2k h ALA 133 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2r2k h ALA 133 CO 0.11 -0.17 0.00 -0.07 0.00 0.00 0.00 179.25 179.12 2r2k h LEU 134 N 0.32 0.00 0.00 0.00 3.38 -0.68 -3.34 115.31 114.99 2r2k h LEU 134 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2r2k h LEU 134 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2r2k h LEU 134 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2r2k n GLY 135 N 0.12 0.63 0.15 0.83 0.00 -0.79 -4.89 105.19 101.24 2r2k n GLY 135 Ca 0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2r2k n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r2k h ALA 136 N 0.00 0.28 -3.68 4.61 0.00 -1.13 -3.40 119.26 115.93 2r2k h ALA 136 Ca 0.00 -0.75 -0.67 0.00 0.00 0.00 0.00 54.91 53.49 2r2k h ALA 136 Cb 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 2r2k h ALA 136 CO 0.00 0.83 -0.75 -0.51 0.00 0.00 0.00 179.25 178.83 2r2k s LEU 137 N -7.63 2.96 0.33 0.00 1.43 -0.13 -0.81 118.68 114.83 2r2k s LEU 137 Ca -0.06 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2r2k s LEU 137 Cb 0.08 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 2r2k s LEU 137 CO 0.88 0.23 0.67 0.00 0.23 0.00 0.00 176.35 178.35 2r2k s ARG 138 N -1.77 3.77 0.20 1.70 1.70 -1.02 -3.98 118.95 119.55 2r2k s ARG 138 Ca 0.18 0.34 0.12 0.00 -0.47 0.00 0.00 55.73 55.90 2r2k s ARG 138 Cb -0.11 -2.51 0.67 0.00 -0.57 0.00 0.00 34.95 32.43 2r2k s ARG 138 CO 0.10 0.12 1.34 -1.13 -1.08 0.00 0.00 175.30 174.65 2r2k n SER 139 N -0.86 0.32 0.15 -2.89 3.41 -1.26 0.04 113.62 112.52 2r2k n SER 139 Ca 0.01 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 2r2k n SER 139 Cb 0.54 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.91 2r2k n SER 139 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2r2k h ASN 140 N 0.00 0.00 -0.10 4.04 2.35 -1.95 -3.49 115.58 116.44 2r2k h ASN 140 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2r2k h ASN 140 Cb 0.13 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2r2k h ASN 140 CO 0.00 0.17 -0.02 0.00 -1.65 0.00 0.00 177.43 175.93 2r2k n TYR 141 N -2.99 0.02 -4.21 1.19 0.18 0.11 -4.93 117.16 106.52 2r2k n TYR 141 Ca 0.01 0.10 -0.34 0.00 1.88 0.00 0.00 57.90 59.55 2r2k n TYR 141 Cb 0.61 -0.20 -0.15 0.00 -0.38 0.00 0.00 39.34 39.23 2r2k n TYR 141 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2r2k s GLU 142 N -0.04 3.30 0.01 -3.48 2.02 0.75 -4.82 118.70 116.44 2r2k s GLU 142 Ca 0.08 -0.69 -0.21 0.00 0.02 0.00 0.00 54.97 54.17 2r2k s GLU 142 Cb -0.11 -2.80 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 2r2k s GLU 142 CO 0.06 -0.08 0.62 0.08 0.02 0.00 0.00 175.26 175.96 2r2k s VAL 143 N 1.11 4.85 0.07 2.63 1.01 -0.86 -0.97 120.40 128.24 2r2k s VAL 143 Ca 0.01 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.33 2r2k s VAL 143 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2r2k s VAL 143 CO -0.03 0.42 -0.08 -0.75 0.00 0.00 0.00 175.10 174.67 2r2k s LYS 144 N -0.28 0.68 0.54 2.72 2.20 0.83 -2.94 119.74 123.49 2r2k s LYS 144 Ca 0.32 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 54.84 2r2k s LYS 144 Cb -0.19 -0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 35.75 2r2k s LYS 144 CO 0.18 0.04 0.91 0.20 -0.36 0.00 0.00 175.35 176.33 2r2k s GLY 145 N -2.15 1.70 0.35 5.54 0.00 -1.26 -1.11 107.32 110.40 2r2k s GLY 145 Ca -0.01 -0.20 0.16 0.00 0.00 0.00 0.00 44.72 44.67 2r2k s GLY 145 CO -0.01 0.03 1.74 0.84 0.00 0.00 0.00 173.10 175.69 2r2k h HIS 146 N 0.21 0.00 0.00 1.90 2.76 -1.47 -2.53 115.15 116.02 2r2k h HIS 146 Ca -0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2r2k h HIS 146 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 2r2k h HIS 146 CO 0.63 0.43 0.00 0.07 -1.30 0.00 0.00 177.93 177.76 2r2k h ARG 147 N 0.00 0.00 0.00 5.26 0.11 -1.77 -2.85 114.38 115.13 2r2k h ARG 147 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2r2k h ARG 147 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 2r2k h ARG 147 CO 0.06 0.00 -0.12 -0.25 0.10 0.00 0.00 179.97 179.76 2r2k n ASP 148 N -2.60 0.43 0.00 0.08 8.00 -0.95 -4.06 116.55 117.44 2r2k n ASP 148 Ca 0.03 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2r2k n ASP 148 Cb 0.37 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2r2k n ASP 148 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2r2k n VAL 149 N -1.85 0.08 -3.64 2.53 0.24 -1.09 -4.99 118.33 109.62 2r2k n VAL 149 Ca 0.06 -0.52 -0.05 0.00 -2.04 0.00 0.00 64.34 61.79 2r2k n VAL 149 Cb 0.38 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 2r2k n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r2k s GLN 150 N -0.08 0.22 -0.72 7.34 -2.07 -1.15 -4.90 119.66 118.29 2r2k s GLN 150 Ca 0.00 0.24 -0.25 0.00 -1.82 0.00 0.00 55.36 53.53 2r2k s GLN 150 Cb 0.00 0.11 -0.15 0.00 -1.09 0.00 0.00 33.01 31.88 2r2k s GLN 150 CO 0.00 -0.03 2.44 -2.30 -1.32 0.00 0.00 175.29 174.08 2r2k n PRO 151 N 1.74 0.61 -3.57 9.60 -0.02 -1.26 -4.33 135.00 137.76 2r2k n PRO 151 Ca -0.11 -0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.04 2r2k n PRO 151 Cb 0.57 -2.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 2r2k n PRO 151 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2r2k s THR 152 N 11.09 0.00 -0.48 3.45 -1.32 -1.26 -5.02 115.64 122.10 2r2k s THR 152 Ca 1.07 -0.32 0.23 0.00 -1.21 0.00 0.00 61.69 61.46 2r2k s THR 152 Cb -0.43 -1.34 0.05 0.00 -1.51 0.00 0.00 72.50 69.27 2r2k s THR 152 CO 0.29 0.00 1.24 -0.07 -2.21 0.00 0.00 174.62 173.86 2r2k h LEU 153 N 2.00 0.00 0.00 9.08 -0.00 -1.96 -3.40 115.31 121.04 2r2k h LEU 153 Ca -0.28 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2r2k h LEU 153 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2r2k h LEU 153 CO 0.32 0.06 0.00 -0.24 -0.00 0.00 0.00 178.44 178.58 2r2k n SER 154 N -2.39 0.00 0.24 -0.43 2.88 -1.26 -0.84 113.62 111.82 2r2k n SER 154 Ca 0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.64 2r2k n SER 154 Cb 0.49 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.54 2r2k n SER 154 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2r2k h PRO 155 N 0.00 0.00 -0.05 -1.46 0.11 -1.88 -1.15 132.00 127.57 2r2k h PRO 155 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2r2k h PRO 155 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2r2k h PRO 155 CO 0.00 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.33 2r2k n GLY 156 N -1.06 1.12 0.26 -0.55 0.00 -0.02 -4.13 105.19 100.80 2r2k n GLY 156 Ca -0.02 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.91 2r2k n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r2k n ASP 157 N -0.00 -0.10 0.03 1.61 10.43 -1.23 0.36 116.55 127.65 2r2k n ASP 157 Ca 0.00 1.29 -0.09 0.00 2.57 0.00 0.00 54.79 58.56 2r2k n ASP 157 Cb 0.00 -0.47 -0.13 0.00 1.84 0.00 0.00 41.12 42.36 2r2k n ASP 157 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2r2k h ARG 158 N 0.00 0.04 0.00 -1.24 3.08 -1.51 -2.84 114.38 111.91 2r2k h ARG 158 Ca 0.46 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.27 2r2k h ARG 158 Cb 0.93 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2r2k h ARG 158 CO -0.72 0.85 -0.83 1.25 -1.07 0.00 0.00 179.97 179.45 2r2k h LEU 159 N 0.01 0.00 -0.45 3.04 5.85 -1.14 -2.43 115.31 120.19 2r2k h LEU 159 Ca -0.14 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2r2k h LEU 159 Cb 1.89 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 2r2k h LEU 159 CO 0.12 0.83 -0.16 0.22 -0.34 0.00 0.00 178.44 179.11 2r2k h TYR 160 N 0.00 1.02 -0.24 1.25 3.20 -0.18 -1.90 116.97 120.12 2r2k h TYR 160 Ca -0.01 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2r2k h TYR 160 Cb 1.56 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 2r2k h TYR 160 CO 0.00 1.01 0.04 1.49 -1.64 0.00 0.00 178.16 179.07 2r2k h GLU 161 N 0.73 0.34 -0.00 1.82 4.81 -1.38 -2.82 114.58 118.09 2r2k h GLU 161 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2r2k h GLU 161 Cb 0.71 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2r2k h GLU 161 CO 0.05 0.34 -0.13 0.82 -0.73 0.00 0.00 179.01 179.36 2r2k h ILE 162 N 0.34 1.58 0.00 2.32 1.08 -1.10 -3.29 117.51 118.44 2r2k h ILE 162 Ca 0.08 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 2r2k h ILE 162 Cb 0.17 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2r2k h ILE 162 CO -0.00 0.50 0.00 2.30 -0.69 0.00 0.00 178.15 180.26 2r2k n ILE 163 N -4.60 1.22 0.24 -0.67 -6.64 -0.74 -1.57 119.36 106.60 2r2k n ILE 163 Ca -0.10 0.42 0.14 0.00 -1.77 0.00 0.00 62.75 61.44 2r2k n ILE 163 Cb 0.45 -1.33 0.46 0.00 -1.44 0.00 0.00 39.64 37.77 2r2k n ILE 163 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 2r2k h GLN 164 N 0.00 0.00 0.00 6.28 4.20 -1.56 -2.91 115.11 121.11 2r2k h GLN 164 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2r2k h GLN 164 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2r2k h GLN 164 CO 0.00 0.07 -0.39 0.25 -0.67 0.00 0.00 178.83 178.09 2r2k n THR 165 N -3.16 0.43 -1.73 -0.54 -2.24 -0.61 -4.84 114.28 101.60 2r2k n THR 165 Ca 0.02 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 2r2k n THR 165 Cb 0.42 -0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2r2k n THR 165 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2r2k n TRP 166 N -2.15 2.26 -0.10 4.78 7.02 -1.10 -4.90 117.44 123.25 2r2k n TRP 166 Ca 0.04 0.45 0.19 0.00 -1.02 0.00 0.00 57.50 57.16 2r2k n TRP 166 Cb 0.43 -2.38 0.61 0.00 -2.42 0.00 0.00 31.31 27.55 2r2k n TRP 166 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2r2k h SER 167 N 1.75 0.18 -0.28 -0.99 0.87 -1.91 -2.95 113.55 110.22 2r2k h SER 167 Ca -0.50 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2r2k h SER 167 Cb 1.30 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2r2k h SER 167 CO 0.58 0.09 0.00 1.41 -0.53 0.00 0.00 176.83 178.38 2r2k n HIS 168 N -4.41 0.35 -2.09 2.24 8.25 -1.26 -4.95 115.22 113.35 2r2k n HIS 168 Ca 0.13 -0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 2r2k n HIS 168 Cb 0.62 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 2r2k n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2r2k s TYR 169 N -1.59 1.88 -0.21 4.41 5.04 -1.12 -2.02 117.35 123.74 2r2k s TYR 169 Ca 0.35 0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 55.54 2r2k s TYR 169 Cb 0.21 -4.16 -0.05 0.00 0.35 0.00 0.00 41.96 38.32 2r2k s TYR 169 CO 0.30 -2.55 0.20 1.03 -1.34 0.00 0.00 175.55 173.20 2r2k s ARG 170 N 5.97 4.14 0.00 4.97 1.81 -1.15 -4.94 118.95 129.75 2r2k s ARG 170 Ca 0.72 -0.14 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 2r2k s ARG 170 Cb -0.17 -3.49 0.00 0.00 -0.45 0.00 0.00 34.95 30.84 2r2k s ARG 170 CO 0.29 0.14 0.00 0.00 -0.68 0.00 0.00 175.30 175.05