#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2x s VAL 2 N 0.00 4.43 0.02 3.84 -7.23 -1.26 -4.07 120.40 116.13 2b2x s VAL 2 Ca 0.00 1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 61.75 2b2x s VAL 2 Cb 0.00 -4.12 0.03 0.00 0.56 0.00 0.00 36.38 32.85 2b2x s VAL 2 CO 0.00 0.13 0.37 -1.58 -0.31 0.00 0.00 175.10 173.71 2b2x s GLN 3 N 1.08 0.82 0.00 4.82 0.74 -0.50 -5.01 119.66 121.60 2b2x s GLN 3 Ca 0.55 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.68 2b2x s GLN 3 Cb -0.25 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 2b2x s GLN 3 CO 0.28 -0.26 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.20 2b2x s LEU 4 N -1.75 2.03 -0.18 3.68 1.43 -1.26 -1.77 118.68 120.87 2b2x s LEU 4 Ca -0.08 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2b2x s LEU 4 Cb -0.02 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 46.02 2b2x s LEU 4 CO 0.00 0.03 -0.01 -0.69 0.23 0.00 0.00 176.35 175.92 2b2x s VAL 5 N -0.23 0.85 0.42 -1.59 1.01 -0.43 -4.14 120.40 116.29 2b2x s VAL 5 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2b2x s VAL 5 Cb -0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 2b2x s VAL 5 CO -0.00 -0.03 0.98 -1.61 0.00 0.00 0.00 175.10 174.44 2b2x s GLU 6 N 1.73 4.18 0.01 2.72 0.41 -1.26 -1.81 118.70 124.68 2b2x s GLU 6 Ca -0.00 1.25 -0.17 0.00 -0.41 0.00 0.00 54.97 55.63 2b2x s GLU 6 Cb -0.16 -2.30 0.03 0.00 -1.78 0.00 0.00 34.13 29.92 2b2x s GLU 6 CO -0.07 -0.08 0.37 -1.12 -0.49 0.00 0.00 175.26 173.87 2b2x s SER 7 N -1.98 -0.24 0.00 -0.19 0.01 0.49 -4.76 113.70 107.03 2b2x s SER 7 Ca 0.61 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2b2x s SER 7 Cb -0.13 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2b2x s SER 7 CO 0.18 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2b2x n GLY 8 N 0.86 1.62 3.44 3.44 0.00 -1.26 -0.31 105.19 112.97 2b2x n GLY 8 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2b2x n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 9 N -0.05 -1.84 0.00 -0.02 0.00 -1.26 -4.79 105.19 97.23 2b2x n GLY 9 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2b2x n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 10 N 1.37 -0.73 3.70 -0.02 0.00 0.59 -4.86 105.19 105.23 2b2x n GLY 10 Ca 0.07 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2b2x n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b2x s LEU 11 N 0.00 4.29 0.02 0.99 2.96 -1.26 -1.74 118.68 123.94 2b2x s LEU 11 Ca 0.00 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 2b2x s LEU 11 Cb 0.00 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 2b2x s LEU 11 CO 0.00 -0.30 -0.03 0.54 -1.32 0.00 0.00 176.35 175.24 2b2x s VAL 12 N 1.41 0.15 0.42 1.68 0.11 0.02 -4.98 120.40 119.22 2b2x s VAL 12 Ca 0.45 -0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 58.66 2b2x s VAL 12 Cb -0.19 -0.25 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 2b2x s VAL 12 CO 0.20 -0.34 0.88 -1.10 -3.33 0.00 0.00 175.10 171.42 2b2x s GLN 13 N -1.06 4.03 0.36 1.54 -0.21 -1.25 -0.93 119.66 122.14 2b2x s GLN 13 Ca -0.11 0.86 -0.27 0.00 0.02 0.00 0.00 55.36 55.87 2b2x s GLN 13 Cb -0.07 -2.26 -0.12 0.00 1.00 0.00 0.00 33.01 31.56 2b2x s GLN 13 CO -0.01 -0.05 1.21 -2.30 -2.12 0.00 0.00 175.29 172.02 2b2x n PRO 14 N -0.94 1.87 0.00 2.91 -0.02 -1.26 -0.49 135.00 137.07 2b2x n PRO 14 Ca 0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2b2x n PRO 14 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2b2x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b2x n GLY 15 N 0.89 2.53 3.95 -1.23 0.00 0.93 -4.94 105.19 107.33 2b2x n GLY 15 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2b2x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b2x s GLY 16 N -1.84 1.81 0.15 -0.02 0.00 0.35 -4.04 107.32 103.74 2b2x s GLY 16 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 44.72 43.37 2b2x s GLY 16 CO 0.00 -0.61 -0.13 -1.35 0.00 0.00 0.00 173.10 171.00 2b2x s SER 17 N -4.93 2.16 -0.18 1.64 1.04 -1.26 -1.89 113.70 110.27 2b2x s SER 17 Ca 0.75 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2b2x s SER 17 Cb -0.03 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2b2x s SER 17 CO 0.52 -0.19 0.46 -0.22 0.98 0.00 0.00 173.24 174.80 2b2x s LEU 18 N -2.89 0.13 -0.24 2.42 2.96 -0.31 -5.01 118.68 115.73 2b2x s LEU 18 Ca 0.15 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 2b2x s LEU 18 Cb -0.02 1.58 -0.00 0.00 0.50 0.00 0.00 46.19 48.25 2b2x s LEU 18 CO 0.04 -0.17 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.29 2b2x s ARG 19 N 0.49 3.24 0.04 1.98 3.52 -1.26 -1.16 118.95 125.80 2b2x s ARG 19 Ca -0.02 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2b2x s ARG 19 Cb -0.04 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2b2x s ARG 19 CO -0.02 -0.28 0.24 -0.51 -0.81 0.00 0.00 175.30 173.91 2b2x s LEU 20 N 1.47 4.35 0.08 -0.88 1.43 -0.41 -4.62 118.68 120.10 2b2x s LEU 20 Ca 0.04 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2b2x s LEU 20 Cb -0.15 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2b2x s LEU 20 CO -0.02 0.20 -0.07 -0.94 0.23 0.00 0.00 176.35 175.75 2b2x s SER 21 N -2.14 1.10 -0.04 2.29 1.04 0.57 -1.51 113.70 115.02 2b2x s SER 21 Ca 0.32 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2b2x s SER 21 Cb -0.13 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.09 2b2x s SER 21 CO 0.22 -0.38 0.06 0.00 0.98 0.00 0.00 173.24 174.13 2b2x s ALA 23 N 2.07 3.51 0.01 0.00 0.00 -0.75 -0.25 121.76 126.35 2b2x s ALA 23 Ca 0.03 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2b2x s ALA 23 Cb -0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2b2x s ALA 23 CO -0.03 0.12 -0.14 0.00 0.00 0.00 0.00 175.76 175.71 2b2x s ALA 24 N 0.13 2.73 0.04 0.00 0.00 -0.32 -1.32 121.76 123.02 2b2x s ALA 24 Ca 0.27 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 2b2x s ALA 24 Cb -0.16 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.07 2b2x s ALA 24 CO 0.13 0.58 0.34 -1.54 0.00 0.00 0.00 175.76 175.27 2b2x s SER 25 N -1.25 -0.19 0.00 0.00 1.04 -0.73 -4.87 113.70 107.71 2b2x s SER 25 Ca 0.15 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2b2x s SER 25 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2b2x s SER 25 CO 0.05 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2b2x n GLY 26 N 0.65 0.67 3.64 7.32 0.00 -1.26 -1.42 105.19 114.79 2b2x n GLY 26 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2b2x n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2b2x s PHE 27 N -2.50 0.02 -1.14 1.61 -0.71 -1.26 -4.44 117.98 109.55 2b2x s PHE 27 Ca 0.00 -0.40 -0.20 0.00 -1.04 0.00 0.00 56.93 55.30 2b2x s PHE 27 Cb 0.00 0.42 0.08 0.00 -1.21 0.00 0.00 43.02 42.31 2b2x s PHE 27 CO 0.00 -1.03 1.53 0.99 -1.34 0.00 0.00 175.22 175.37 2b2x s THR 28 N -3.93 4.20 0.23 -4.49 2.01 -1.26 -4.88 115.64 107.52 2b2x s THR 28 Ca 0.14 -1.51 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 2b2x s THR 28 Cb -0.02 -5.07 0.25 0.00 0.01 0.00 0.00 72.50 67.67 2b2x s THR 28 CO 0.04 -1.90 1.56 0.15 -0.69 0.00 0.00 174.62 173.77 2b2x h PHE 29 N 8.51 -1.01 0.00 4.92 3.57 -1.96 -2.08 116.94 128.89 2b2x h PHE 29 Ca 0.31 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2b2x h PHE 29 Cb 0.94 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2b2x h PHE 29 CO 1.31 -0.40 0.25 0.66 -2.23 0.00 0.00 178.31 177.90 2b2x h SER 30 N -0.02 0.00 0.61 0.41 4.64 -1.90 -2.06 113.55 115.25 2b2x h SER 30 Ca 0.35 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.40 2b2x h SER 30 Cb 0.61 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 2b2x h SER 30 CO -0.96 0.00 -1.54 0.03 -0.87 0.00 0.00 176.83 173.49 2b2x h ARG 31 N 0.00 0.00 -6.61 4.77 3.08 -1.75 -3.42 114.38 110.45 2b2x h ARG 31 Ca 0.00 -0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2b2x h ARG 31 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2b2x h ARG 31 CO 0.00 0.62 0.09 0.71 -1.07 0.00 0.00 179.97 180.32 2b2x s TYR 32 N -2.62 3.54 -0.05 3.04 1.51 -0.77 -4.42 117.35 117.57 2b2x s TYR 32 Ca -0.03 1.30 -0.21 0.00 -1.01 0.00 0.00 57.07 57.11 2b2x s TYR 32 Cb 0.08 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 2b2x s TYR 32 CO 0.82 0.25 0.62 0.95 -1.11 0.00 0.00 175.55 177.08 2b2x s THR 33 N -1.70 5.01 0.19 -0.71 -4.23 -1.26 -4.00 115.64 108.94 2b2x s THR 33 Ca 0.47 1.29 0.07 0.00 -1.18 0.00 0.00 61.69 62.34 2b2x s THR 33 Cb -0.14 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2b2x s THR 33 CO 0.20 0.33 0.01 -0.04 -0.54 0.00 0.00 174.62 174.58 2b2x s MET 34 N 0.38 2.44 0.23 3.99 1.00 0.46 -1.27 119.30 126.52 2b2x s MET 34 Ca 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 55.69 54.89 2b2x s MET 34 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 34.83 32.26 2b2x s MET 34 CO 0.16 0.44 0.14 -1.12 0.00 0.00 0.00 175.02 174.65 2b2x s SER 35 N -3.07 0.58 -0.06 3.03 0.01 -0.52 -0.63 113.70 113.04 2b2x s SER 35 Ca 0.28 -1.43 0.03 0.00 1.31 0.00 0.00 55.95 56.13 2b2x s SER 35 Cb -0.09 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.51 2b2x s SER 35 CO 0.19 -0.84 -0.13 0.26 0.41 0.00 0.00 173.24 173.13 2b2x s TRP 36 N -3.98 1.50 0.03 2.43 0.52 -0.69 -0.77 118.94 117.98 2b2x s TRP 36 Ca 0.39 -0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.04 2b2x s TRP 36 Cb 0.07 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 2b2x s TRP 36 CO 0.14 -0.27 -0.21 0.08 0.02 0.00 0.00 176.95 176.72 2b2x s VAL 37 N 0.58 1.65 0.18 4.03 1.01 0.13 -0.83 120.40 127.14 2b2x s VAL 37 Ca -0.13 -1.13 0.09 0.00 0.00 0.00 0.00 61.98 60.81 2b2x s VAL 37 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2b2x s VAL 37 CO 0.04 0.25 -0.20 0.00 0.00 0.00 0.00 175.10 175.19 2b2x s ARG 38 N -1.04 1.35 -0.23 2.72 1.70 -0.31 0.07 118.95 123.21 2b2x s ARG 38 Ca 0.07 -1.45 -0.04 0.00 -0.47 0.00 0.00 55.73 53.84 2b2x s ARG 38 Cb -0.09 -1.49 0.09 0.00 -0.57 0.00 0.00 34.95 32.89 2b2x s ARG 38 CO 0.01 0.31 0.15 -1.14 -1.08 0.00 0.00 175.30 173.55 2b2x s GLN 39 N -2.78 0.15 0.63 3.89 0.74 -0.58 -1.43 119.66 120.29 2b2x s GLN 39 Ca 0.18 -0.18 -0.17 0.00 0.05 0.00 0.00 55.36 55.23 2b2x s GLN 39 Cb -0.06 -1.39 -0.02 0.00 1.10 0.00 0.00 33.01 32.64 2b2x s GLN 39 CO 0.08 -0.82 1.18 0.00 -0.55 0.00 0.00 175.29 175.18 2b2x s ALA 40 N 2.18 2.46 -0.32 1.58 0.00 -1.26 -1.87 121.76 124.52 2b2x s ALA 40 Ca 0.06 0.87 -0.40 0.00 0.00 0.00 0.00 51.96 52.48 2b2x s ALA 40 Cb -0.16 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 2b2x s ALA 40 CO -0.21 -1.29 1.83 -2.30 0.00 0.00 0.00 175.76 173.79 2b2x n PRO 41 N -1.96 0.99 -1.17 0.00 -0.02 -1.26 -0.76 135.00 130.82 2b2x n PRO 41 Ca 0.13 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.90 2b2x n PRO 41 Cb 0.50 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 2b2x n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b2x n GLY 42 N 4.77 0.72 0.85 -1.23 0.00 -1.26 -4.99 105.19 104.05 2b2x n GLY 42 Ca 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 2b2x n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b2x n LYS 43 N -1.50 1.48 -0.42 1.61 4.01 0.06 -5.16 118.16 118.24 2b2x n LYS 43 Ca -0.06 -0.81 0.00 0.00 -0.51 0.00 0.00 58.31 56.93 2b2x n LYS 43 Cb 0.36 0.14 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2b2x n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2b2x n GLY 44 N 3.55 0.37 3.82 0.72 0.00 -1.26 -4.71 105.19 107.68 2b2x n GLY 44 Ca -0.02 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 2b2x n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b2x s LEU 45 N 0.00 4.44 -0.12 0.99 1.43 -1.26 -4.11 118.68 120.05 2b2x s LEU 45 Ca 0.00 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2b2x s LEU 45 Cb 0.00 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2b2x s LEU 45 CO 0.00 0.28 0.04 -0.70 0.23 0.00 0.00 176.35 176.21 2b2x s GLU 46 N -0.80 0.34 0.58 1.70 2.12 -0.51 -5.00 118.70 117.12 2b2x s GLU 46 Ca 0.23 -0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.35 2b2x s GLU 46 Cb -0.16 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.81 2b2x s GLU 46 CO 0.12 -0.49 1.22 -0.46 -0.54 0.00 0.00 175.26 175.12 2b2x s TRP 47 N 2.03 2.41 0.00 5.30 -0.00 -1.26 -1.16 118.94 126.26 2b2x s TRP 47 Ca 0.03 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 2b2x s TRP 47 Cb -0.14 -3.52 0.00 0.00 -0.00 0.00 0.00 33.47 29.81 2b2x s TRP 47 CO -0.06 -2.26 0.00 0.28 -0.00 0.00 0.00 176.95 174.91 2b2x n VAL 48 N -1.42 0.00 -3.47 5.86 0.31 -0.01 -4.79 118.33 114.80 2b2x n VAL 48 Ca 0.13 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.32 2b2x n VAL 48 Cb 0.49 -0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 32.94 2b2x n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b2x s ALA 49 N -1.71 -1.71 -0.02 3.52 0.00 -1.19 -2.12 121.76 118.53 2b2x s ALA 49 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 2b2x s ALA 49 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.55 2b2x s ALA 49 CO 0.00 -0.59 0.21 0.54 0.00 0.00 0.00 175.76 175.92 2b2x s VAL 50 N -2.60 0.06 -0.05 0.00 0.11 -0.75 -1.71 120.40 115.46 2b2x s VAL 50 Ca -0.03 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2b2x s VAL 50 Cb -0.01 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2b2x s VAL 50 CO -0.03 -0.25 -0.02 -0.51 -3.33 0.00 0.00 175.10 170.95 2b2x s ILE 51 N -0.99 0.42 0.86 7.04 2.07 0.20 -2.21 121.20 128.59 2b2x s ILE 51 Ca -0.11 -0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 58.98 2b2x s ILE 51 Cb -0.05 -0.49 0.13 0.00 0.13 0.00 0.00 42.46 42.17 2b2x s ILE 51 CO 0.02 0.22 1.22 -0.94 -1.91 0.00 0.00 174.94 173.54 2b2x s SER 52 N 1.18 3.98 0.41 4.50 1.04 -0.36 -0.41 113.70 124.04 2b2x s SER 52 Ca -0.07 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.00 2b2x s SER 52 Cb -0.14 -0.85 0.85 0.00 0.10 0.00 0.00 66.02 65.98 2b2x s SER 52 CO -0.02 -2.21 1.94 1.23 0.98 0.00 0.00 173.24 175.17 2b2x h GLY 53 N -1.24 0.17 1.60 7.32 0.00 -1.77 -1.06 103.07 108.08 2b2x h GLY 53 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2b2x h GLY 53 CO 0.54 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.79 2b2x n GLY 54 N -0.92 -1.00 1.19 4.60 0.00 -1.26 -4.87 105.19 102.93 2b2x n GLY 54 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2b2x n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 55 N 0.52 0.75 3.76 -0.02 0.00 -0.40 -5.05 105.19 104.75 2b2x n GLY 55 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2b2x n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b2x s HIS 56 N -2.35 3.82 0.07 1.61 3.76 -1.26 -4.76 115.29 116.19 2b2x s HIS 56 Ca 0.00 1.84 0.08 0.00 -0.15 0.00 0.00 55.06 56.83 2b2x s HIS 56 Cb 0.00 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 2b2x s HIS 56 CO 0.00 0.19 -0.21 0.95 -0.85 0.00 0.00 174.74 174.82 2b2x s THR 57 N -1.29 1.70 -0.00 1.30 -4.23 -1.26 -1.22 115.64 110.63 2b2x s THR 57 Ca 0.44 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.55 2b2x s THR 57 Cb -0.25 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 2b2x s THR 57 CO 0.31 0.07 0.06 -0.31 -0.54 0.00 0.00 174.62 174.22 2b2x s TYR 58 N -0.98 0.07 0.25 3.99 2.02 -0.94 -5.01 117.35 116.76 2b2x s TYR 58 Ca 0.07 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 2b2x s TYR 58 Cb -0.09 -0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 2b2x s TYR 58 CO 0.03 -0.17 0.02 0.71 -1.57 0.00 0.00 175.55 174.57 2b2x s TYR 59 N -0.92 1.61 0.07 2.71 2.02 -1.26 -1.81 117.35 119.76 2b2x s TYR 59 Ca -0.10 -0.97 -0.21 0.00 -0.37 0.00 0.00 57.07 55.42 2b2x s TYR 59 Cb -0.06 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.48 2b2x s TYR 59 CO 0.00 -0.08 0.61 -1.17 -1.57 0.00 0.00 175.55 173.34 2b2x s LEU 60 N -3.33 4.51 0.25 -1.29 2.96 -0.90 -4.89 118.68 115.99 2b2x s LEU 60 Ca 0.31 1.29 -0.13 0.00 -0.22 0.00 0.00 54.13 55.38 2b2x s LEU 60 Cb 0.06 -2.97 0.34 0.00 0.50 0.00 0.00 46.19 44.13 2b2x s LEU 60 CO 0.10 0.22 1.56 0.44 -1.32 0.00 0.00 176.35 177.35 2b2x h ASP 61 N 4.82 -1.17 0.00 3.68 3.45 -1.95 0.11 116.42 125.35 2b2x h ASP 61 Ca -0.48 0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.28 2b2x h ASP 61 Cb 1.21 0.68 0.00 0.00 -0.56 0.00 0.00 39.33 40.66 2b2x h ASP 61 CO 0.65 -0.31 0.09 0.77 -1.57 0.00 0.00 179.24 178.88 2b2x h SER 62 N -0.00 0.00 0.00 6.45 4.64 -1.98 -2.80 113.55 119.86 2b2x h SER 62 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2b2x h SER 62 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2b2x h SER 62 CO -1.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.29 2b2x n VAL 63 N -2.27 0.00 -1.83 0.95 0.24 0.30 -4.94 118.33 110.78 2b2x n VAL 63 Ca -0.01 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2b2x n VAL 63 Cb 0.13 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2b2x n VAL 63 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2b2x s GLU 64 N -0.87 4.17 0.00 7.34 2.12 -0.75 -0.80 118.70 129.90 2b2x s GLU 64 Ca 0.00 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.81 2b2x s GLU 64 Cb 0.00 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2b2x s GLU 64 CO 0.00 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.43 2b2x n GLY 65 N 3.92 3.43 0.32 -1.50 0.00 -1.26 -4.82 105.19 105.27 2b2x n GLY 65 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2b2x n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b2x n ARG 66 N -1.76 0.37 -3.99 1.61 1.74 0.01 -5.02 116.66 109.63 2b2x n ARG 66 Ca 0.00 0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 2b2x n ARG 66 Cb 0.00 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2b2x n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2b2x s PHE 67 N -2.31 3.35 -0.10 -1.55 0.40 -0.16 -1.99 117.98 115.62 2b2x s PHE 67 Ca -0.22 0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2b2x s PHE 67 Cb 0.08 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.96 2b2x s PHE 67 CO 0.32 0.55 0.01 0.99 0.70 0.00 0.00 175.22 177.79 2b2x s THR 68 N -1.46 0.41 -0.04 0.64 2.01 -0.05 -4.81 115.64 112.35 2b2x s THR 68 Ca 0.32 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 2b2x s THR 68 Cb -0.12 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2b2x s THR 68 CO 0.25 0.15 0.38 -0.51 -0.69 0.00 0.00 174.62 174.20 2b2x s ILE 69 N 1.95 5.12 0.24 1.82 2.07 -1.26 -0.80 121.20 130.34 2b2x s ILE 69 Ca 0.04 0.76 -0.08 0.00 -1.41 0.00 0.00 60.65 59.96 2b2x s ILE 69 Cb -0.13 -3.69 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 2b2x s ILE 69 CO -0.06 0.53 0.37 -0.94 -1.91 0.00 0.00 174.94 172.94 2b2x s SER 70 N -0.72 0.10 0.05 4.50 1.04 -0.91 -4.98 113.70 112.79 2b2x s SER 70 Ca 0.22 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 2b2x s SER 70 Cb -0.16 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 2b2x s SER 70 CO 0.11 -1.07 0.10 0.00 0.98 0.00 0.00 173.24 173.36 2b2x s ARG 71 N -3.95 0.67 -0.37 4.02 1.70 -1.26 -0.67 118.95 119.09 2b2x s ARG 71 Ca 0.28 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 2b2x s ARG 71 Cb 0.02 0.26 0.13 0.00 -0.57 0.00 0.00 34.95 34.79 2b2x s ARG 71 CO 0.11 -0.18 0.21 0.34 -1.08 0.00 0.00 175.30 174.70 2b2x s ASP 72 N -2.49 3.21 0.63 -2.89 3.68 -0.51 -5.00 116.67 113.30 2b2x s ASP 72 Ca 0.00 -2.20 0.36 0.00 2.13 0.00 0.00 52.55 52.83 2b2x s ASP 72 Cb 0.02 -0.56 2.00 0.00 -1.45 0.00 0.00 42.92 42.93 2b2x s ASP 72 CO -0.07 -0.31 2.21 0.78 0.13 0.00 0.00 175.17 177.90 2b2x h ASN 73 N 7.09 0.00 1.49 -0.34 -0.26 -1.96 -1.13 115.58 120.47 2b2x h ASN 73 Ca 0.02 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 2b2x h ASN 73 Cb 0.96 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 2b2x h ASN 73 CO 0.33 0.00 -0.17 0.77 -1.06 0.00 0.00 177.43 177.31 2b2x h SER 74 N 0.00 0.00 -0.20 5.81 4.64 -1.95 -3.08 113.55 118.77 2b2x h SER 74 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2b2x h SER 74 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2b2x h SER 74 CO -0.00 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 2b2x n LYS 75 N -3.19 2.38 -4.22 4.77 5.02 -0.55 -4.98 118.16 117.39 2b2x n LYS 75 Ca 0.02 -1.72 -0.34 0.00 -2.02 0.00 0.00 58.31 54.26 2b2x n LYS 75 Cb 0.52 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 2b2x n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b2x n ASN 76 N 0.26 -1.54 -4.30 4.39 3.02 -0.54 -4.79 115.26 111.77 2b2x n ASN 76 Ca 0.08 -1.10 -0.28 0.00 -0.03 0.00 0.00 54.58 53.25 2b2x n ASN 76 Cb 0.34 -2.45 -0.14 0.00 -0.61 0.00 0.00 39.78 36.92 2b2x n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2b2x s THR 77 N -3.65 1.92 0.06 3.41 2.01 -1.02 -1.17 115.64 117.19 2b2x s THR 77 Ca 0.43 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 61.18 2b2x s THR 77 Cb -0.24 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 2b2x s THR 77 CO 0.95 0.28 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.83 2b2x s LEU 78 N -1.24 2.99 0.12 4.42 2.96 0.66 -1.43 118.68 127.16 2b2x s LEU 78 Ca 0.10 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2b2x s LEU 78 Cb -0.09 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2b2x s LEU 78 CO 0.02 0.23 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.85 2b2x s TYR 79 N -1.08 1.24 -0.23 5.38 2.02 0.15 -0.12 117.35 124.72 2b2x s TYR 79 Ca 0.19 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 2b2x s TYR 79 Cb -0.11 -0.65 0.08 0.00 -0.40 0.00 0.00 41.96 40.87 2b2x s TYR 79 CO 0.10 0.08 0.11 -1.17 -1.57 0.00 0.00 175.55 173.10 2b2x s LEU 80 N -2.59 0.46 -0.25 -1.29 2.96 -0.57 -2.14 118.68 115.26 2b2x s LEU 80 Ca 0.09 -0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 52.87 2b2x s LEU 80 Cb -0.03 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 2b2x s LEU 80 CO 0.01 -0.39 0.63 -1.58 -1.32 0.00 0.00 176.35 173.70 2b2x s GLN 81 N 2.11 4.12 -0.19 1.98 2.00 0.02 -1.29 119.66 128.41 2b2x s GLN 81 Ca 0.05 0.55 -0.02 0.00 -2.00 0.00 0.00 55.36 53.95 2b2x s GLN 81 Cb -0.16 -3.64 -0.00 0.00 0.80 0.00 0.00 33.01 30.01 2b2x s GLN 81 CO -0.22 -0.39 -0.11 -1.64 -0.50 0.00 0.00 175.29 172.44 2b2x s MET 82 N 2.41 3.25 0.32 1.67 -1.94 -0.31 -0.87 119.30 123.84 2b2x s MET 82 Ca 0.26 -0.70 0.10 0.00 -1.71 0.00 0.00 55.69 53.65 2b2x s MET 82 Cb -0.16 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.82 2b2x s MET 82 CO 0.09 -0.14 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.03 2b2x s ASN 83 N 1.24 3.73 -1.52 3.03 0.01 -0.84 -1.17 114.94 119.42 2b2x s ASN 83 Ca 0.03 -1.10 -0.08 0.00 -0.71 0.00 0.00 52.86 50.99 2b2x s ASN 83 Cb -0.14 -0.36 0.07 0.00 0.41 0.00 0.00 41.25 41.23 2b2x s ASN 83 CO -0.05 -0.10 0.63 -1.20 -1.51 0.00 0.00 177.10 174.87 2b2x n SER 84 N -0.74 -1.99 -4.70 -1.22 7.64 -1.15 -4.71 113.62 106.75 2b2x n SER 84 Ca -0.05 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.45 2b2x n SER 84 Cb 0.62 -3.10 0.01 0.00 -1.01 0.00 0.00 64.21 60.72 2b2x n SER 84 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2b2x n LEU 85 N -4.43 3.92 -4.51 -3.43 4.77 -0.79 -4.62 117.00 107.91 2b2x n LEU 85 Ca -0.13 1.13 -0.25 0.00 -0.03 0.00 0.00 56.01 56.73 2b2x n LEU 85 Cb 0.60 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 2b2x n LEU 85 CO 0.79 -0.63 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.66 2b2x s ARG 86 N -2.14 1.77 0.43 3.23 0.52 -1.26 -0.05 118.95 121.45 2b2x s ARG 86 Ca 0.60 -1.83 0.13 0.00 -0.52 0.00 0.00 55.73 54.11 2b2x s ARG 86 Cb -0.52 -1.76 1.01 0.00 0.52 0.00 0.00 34.95 34.20 2b2x s ARG 86 CO 0.59 0.24 1.99 0.00 0.02 0.00 0.00 175.30 178.14 2b2x h ALA 87 N 2.14 1.98 0.00 2.13 0.00 -1.96 -0.40 119.26 123.15 2b2x h ALA 87 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2b2x h ALA 87 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b2x h ALA 87 CO 0.65 -0.10 0.00 0.93 0.00 0.00 0.00 179.25 180.72 2b2x h GLU 88 N 0.43 0.00 0.00 0.00 3.07 -1.95 -1.93 114.58 114.20 2b2x h GLU 88 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2b2x h GLU 88 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2b2x h GLU 88 CO -0.07 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.29 2b2x n ASP 89 N -2.70 0.00 -4.69 1.42 10.43 -0.16 -4.83 116.55 116.01 2b2x n ASP 89 Ca -0.00 -0.46 -0.42 0.00 2.57 0.00 0.00 54.79 56.48 2b2x n ASP 89 Cb 0.16 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 42.92 2b2x n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2b2x s THR 90 N -2.36 2.75 0.00 -3.53 2.01 -0.73 -4.89 115.64 108.89 2b2x s THR 90 Ca 0.35 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2b2x s THR 90 Cb 0.21 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2b2x s THR 90 CO 0.42 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.35 2b2x n ALA 91 N 5.55 0.00 -2.72 7.40 0.00 -0.32 -4.34 120.51 126.09 2b2x n ALA 91 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 2b2x n ALA 91 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2b2x n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2b2x s VAL 92 N -2.00 5.15 -0.20 0.00 1.01 -0.78 -1.00 120.40 122.57 2b2x s VAL 92 Ca 0.00 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 2b2x s VAL 92 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2b2x s VAL 92 CO 0.00 0.30 0.03 -0.31 0.00 0.00 0.00 175.10 175.12 2b2x s TYR 93 N 0.71 3.09 -0.08 5.22 1.51 -0.04 -1.52 117.35 126.24 2b2x s TYR 93 Ca 0.29 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2b2x s TYR 93 Cb -0.16 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2b2x s TYR 93 CO 0.12 -0.17 -0.03 0.71 -1.11 0.00 0.00 175.55 175.07 2b2x s TYR 94 N 0.97 3.05 -0.05 2.71 2.02 0.11 -1.91 117.35 124.25 2b2x s TYR 94 Ca 0.02 0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.73 2b2x s TYR 94 Cb -0.14 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2b2x s TYR 94 CO 0.02 0.40 0.26 0.00 -1.57 0.00 0.00 175.55 174.66 2b2x s THR 96 N -1.11 0.16 -0.14 0.00 -4.23 0.05 -3.15 115.64 107.22 2b2x s THR 96 Ca 0.21 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2b2x s THR 96 Cb -0.14 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.21 2b2x s THR 96 CO 0.10 -0.56 0.20 -0.60 -0.54 0.00 0.00 174.62 173.22 2b2x s ARG 97 N -1.79 3.91 0.26 3.99 3.52 -0.75 -1.44 118.95 126.65 2b2x s ARG 97 Ca -0.13 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.44 2b2x s ARG 97 Cb -0.08 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2b2x s ARG 97 CO -0.02 0.50 0.42 0.20 -0.81 0.00 0.00 175.30 175.59 2b2x s GLY 98 N -0.26 1.40 0.20 8.12 0.00 -0.40 -0.34 107.32 116.04 2b2x s GLY 98 Ca 0.14 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.91 2b2x s GLY 98 CO 0.03 -1.01 -0.07 -0.12 0.00 0.00 0.00 173.10 171.92 2b2x s PHE 99 N -2.05 2.66 0.00 1.90 2.19 -0.49 -4.52 117.98 117.66 2b2x s PHE 99 Ca 0.37 -0.21 0.00 0.00 0.33 0.00 0.00 56.93 57.41 2b2x s PHE 99 Cb -0.10 -1.27 0.00 0.00 -1.31 0.00 0.00 43.02 40.34 2b2x s PHE 99 CO 0.31 0.54 0.00 0.41 1.83 0.00 0.00 175.22 178.31 2b2x n GLY 100 N -0.15 3.46 0.10 13.12 0.00 -1.26 0.72 105.19 121.18 2b2x n GLY 100 Ca -0.10 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.08 2b2x n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b2x n ASP 101 N 5.50 0.31 0.00 1.61 8.00 -1.26 -4.85 116.55 125.85 2b2x n ASP 101 Ca 0.00 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.60 2b2x n ASP 101 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2b2x n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2x n GLY 102 N 0.64 0.41 0.00 0.44 0.00 0.22 -4.97 105.19 101.93 2b2x n GLY 102 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2b2x n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 103 N -1.92 -0.94 3.25 -0.02 0.00 -1.23 -4.32 105.19 100.01 2b2x n GLY 103 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2b2x n GLY 103 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b2x s TYR 104 N -2.64 3.03 -0.98 1.61 6.04 -1.26 -4.98 117.35 118.18 2b2x s TYR 104 Ca 0.16 -1.29 -0.22 0.00 0.04 0.00 0.00 57.07 55.77 2b2x s TYR 104 Cb 0.12 -2.10 0.08 0.00 -1.04 0.00 0.00 41.96 39.02 2b2x s TYR 104 CO 0.29 -0.66 1.33 -0.06 -1.54 0.00 0.00 175.55 174.92 2b2x s PHE 105 N 1.40 2.72 0.16 4.97 0.08 -1.26 -1.40 117.98 124.65 2b2x s PHE 105 Ca 0.02 -1.00 -0.15 0.00 0.12 0.00 0.00 56.93 55.93 2b2x s PHE 105 Cb -0.16 -4.56 0.05 0.00 -0.57 0.00 0.00 43.02 37.79 2b2x s PHE 105 CO -0.03 -1.79 1.81 0.22 -0.10 0.00 0.00 175.22 175.33 2b2x h ASP 106 N 9.49 0.46 -4.35 1.36 1.82 -1.01 -3.45 116.42 120.75 2b2x h ASP 106 Ca 0.17 -0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.54 2b2x h ASP 106 Cb 1.02 -0.10 -0.25 0.00 0.68 0.00 0.00 39.33 40.68 2b2x h ASP 106 CO 1.32 0.33 -0.73 -0.69 -1.61 0.00 0.00 179.24 177.86 2b2x s VAL 107 N -6.15 0.32 0.11 2.25 1.01 -1.21 -4.95 120.40 111.78 2b2x s VAL 107 Ca -0.13 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.31 2b2x s VAL 107 Cb 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2b2x s VAL 107 CO 0.73 -0.18 -0.12 0.26 0.00 0.00 0.00 175.10 175.79 2b2x s TRP 108 N -0.75 1.23 0.30 5.22 0.52 -1.26 -1.82 118.94 122.38 2b2x s TRP 108 Ca -0.06 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.50 2b2x s TRP 108 Cb -0.06 -0.65 0.05 0.00 -1.15 0.00 0.00 33.47 31.66 2b2x s TRP 108 CO -0.00 0.07 0.41 0.41 0.02 0.00 0.00 176.95 177.86 2b2x n GLY 109 N 0.51 1.96 0.06 0.98 0.00 -1.19 -4.56 105.19 102.95 2b2x n GLY 109 Ca -0.15 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.82 2b2x n GLY 109 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b2x n GLN 110 N -1.65 0.15 0.00 1.61 6.02 -1.26 -4.87 117.38 117.38 2b2x n GLN 110 Ca 0.08 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2b2x n GLN 110 Cb 0.31 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2b2x n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b2x n GLY 111 N 1.39 -0.47 3.20 1.08 0.00 -1.26 -5.02 105.19 104.11 2b2x n GLY 111 Ca 0.06 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 2b2x n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b2x s THR 112 N -3.03 1.62 -0.41 2.61 -1.32 -0.80 -4.85 115.64 109.44 2b2x s THR 112 Ca 0.00 -0.85 -0.25 0.00 -1.21 0.00 0.00 61.69 59.38 2b2x s THR 112 Cb 0.00 -1.36 0.02 0.00 -1.51 0.00 0.00 72.50 69.65 2b2x s THR 112 CO 0.00 0.46 0.87 -0.22 -2.21 0.00 0.00 174.62 173.52 2b2x s LEU 113 N -0.30 4.06 -0.27 9.08 0.20 -1.26 -0.86 118.68 129.33 2b2x s LEU 113 Ca 0.03 0.27 -0.09 0.00 0.69 0.00 0.00 54.13 55.03 2b2x s LEU 113 Cb -0.10 -3.14 -0.03 0.00 -0.43 0.00 0.00 46.19 42.50 2b2x s LEU 113 CO 0.01 -0.90 0.12 -0.69 -0.29 0.00 0.00 176.35 174.59 2b2x s VAL 114 N 3.46 4.60 -0.19 1.68 1.01 -0.17 -0.30 120.40 130.49 2b2x s VAL 114 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2b2x s VAL 114 Cb -0.12 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2b2x s VAL 114 CO 0.22 0.24 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 2b2x s THR 115 N 1.65 2.91 -0.33 3.92 2.01 -0.71 -1.17 115.64 123.91 2b2x s THR 115 Ca 0.06 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 2b2x s THR 115 Cb -0.16 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 70.13 2b2x s THR 115 CO 0.06 0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 2b2x s VAL 116 N 1.20 3.33 0.21 3.82 1.01 -1.26 -0.80 120.40 127.91 2b2x s VAL 116 Ca 0.02 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.37 2b2x s VAL 116 Cb -0.14 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.32 2b2x s VAL 116 CO -0.04 -0.23 0.70 -0.55 0.00 0.00 0.00 175.10 174.97 2b2x s SER 117 N 1.42 -0.39 0.07 3.32 0.15 -0.10 -4.42 113.70 113.75 2b2x s SER 117 Ca -0.02 -0.31 0.22 0.00 0.70 0.00 0.00 55.95 56.55 2b2x s SER 117 Cb -0.20 0.64 -0.12 0.00 -1.71 0.00 0.00 66.02 64.63 2b2x s SER 117 CO -0.00 -1.12 0.83 -1.20 1.20 0.00 0.00 173.24 172.94 2b2x n SER 118 N -0.42 0.48 -4.58 5.45 7.64 -1.26 -3.82 113.62 117.11 2b2x n SER 118 Ca -0.10 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 2b2x n SER 118 Cb 0.62 1.12 0.01 0.00 -1.01 0.00 0.00 64.21 64.95 2b2x n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b2x n ALA 119 N -2.10 -0.15 -2.25 -0.43 0.00 -1.26 -4.96 120.51 109.36 2b2x n ALA 119 Ca -0.01 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 2b2x n ALA 119 Cb 0.52 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 2b2x n ALA 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b2x s LYS 120 N -2.00 4.20 -0.02 0.00 2.20 -1.26 -5.01 119.74 117.85 2b2x s LYS 120 Ca 0.64 0.74 -0.34 0.00 -0.36 0.00 0.00 55.97 56.65 2b2x s LYS 120 Cb -0.55 -3.15 -0.13 0.00 -1.51 0.00 0.00 37.83 32.49 2b2x s LYS 120 CO 0.56 0.58 1.78 2.41 -0.36 0.00 0.00 175.35 180.32 2b2x n THR 121 N 1.46 0.40 -4.24 3.43 -1.04 -1.26 -4.73 114.28 108.29 2b2x n THR 121 Ca -0.08 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.67 2b2x n THR 121 Cb 0.51 -1.73 -0.15 0.00 -1.82 0.00 0.00 70.33 67.14 2b2x n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2b2x s THR 122 N 3.09 0.58 0.56 12.58 2.01 1.00 -4.93 115.64 130.53 2b2x s THR 122 Ca 0.89 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 2b2x s THR 122 Cb -0.71 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2b2x s THR 122 CO 0.48 0.20 1.06 -2.16 -0.69 0.00 0.00 174.62 173.51 2b2x s PRO 123 N 0.33 3.45 0.51 4.92 0.04 -1.26 -0.49 135.00 142.50 2b2x s PRO 123 Ca -0.04 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 2b2x s PRO 123 Cb -0.09 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2b2x s PRO 123 CO 0.00 -0.71 0.93 -1.25 0.04 0.00 0.00 177.00 176.01 2b2x s PRO 124 N -3.81 3.78 -0.21 0.56 0.04 -1.26 -4.24 135.00 129.86 2b2x s PRO 124 Ca 0.65 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2b2x s PRO 124 Cb -0.16 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 2b2x s PRO 124 CO 0.32 -0.28 -0.02 -1.12 0.04 0.00 0.00 177.00 175.93 2b2x s SER 125 N -3.46 4.53 -0.25 6.66 0.01 -0.25 -4.93 113.70 116.01 2b2x s SER 125 Ca 0.55 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 57.42 2b2x s SER 125 Cb -0.10 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 2b2x s SER 125 CO 0.38 0.01 0.09 -0.69 0.41 0.00 0.00 173.24 173.44 2b2x s VAL 126 N 1.32 4.52 -0.10 3.43 1.01 -1.26 -1.39 120.40 127.93 2b2x s VAL 126 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2b2x s VAL 126 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2b2x s VAL 126 CO -0.01 0.33 -0.14 -0.31 0.00 0.00 0.00 175.10 174.97 2b2x s TYR 127 N 1.60 2.76 0.51 5.22 1.51 0.04 -4.96 117.35 124.04 2b2x s TYR 127 Ca 0.06 -0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 55.44 2b2x s TYR 127 Cb -0.15 -1.76 -0.07 0.00 -0.11 0.00 0.00 41.96 39.86 2b2x s TYR 127 CO 0.05 -0.08 1.05 -1.25 -1.11 0.00 0.00 175.55 174.21 2b2x s PRO 128 N -0.03 3.68 -0.30 -1.71 0.04 -1.26 -0.21 135.00 135.21 2b2x s PRO 128 Ca -0.03 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.36 2b2x s PRO 128 Cb -0.14 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.41 2b2x s PRO 128 CO 0.04 -0.54 0.05 -0.51 0.04 0.00 0.00 177.00 176.08 2b2x s LEU 129 N -3.71 2.98 0.18 -3.56 1.43 0.15 -4.80 118.68 111.35 2b2x s LEU 129 Ca 0.67 -1.64 0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2b2x s LEU 129 Cb -0.17 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2b2x s LEU 129 CO 0.24 -0.36 -0.24 0.00 0.23 0.00 0.00 176.35 176.22 2b2x s ALA 130 N 1.38 2.46 0.00 4.21 0.00 -1.26 -2.09 121.76 126.45 2b2x s ALA 130 Ca 0.06 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2b2x s ALA 130 Cb -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2b2x s ALA 130 CO -0.15 0.42 0.00 -0.35 0.00 0.00 0.00 175.76 175.68 2b2x n PRO 131 N 0.33 0.00 0.00 0.00 -0.04 -1.26 -5.08 135.00 128.94 2b2x n PRO 131 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2b2x n PRO 131 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2b2x n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b2x n SER 139 N 0.00 0.00 -4.16 3.54 2.88 -1.26 -5.19 113.62 109.43 2b2x n SER 139 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2b2x n SER 139 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2b2x n SER 139 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2b2x s MET 140 N -4.00 1.37 0.07 -1.46 1.00 -1.26 -1.39 119.30 113.64 2b2x s MET 140 Ca 0.00 -0.63 0.10 0.00 0.00 0.00 0.00 55.69 55.15 2b2x s MET 140 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 34.83 33.46 2b2x s MET 140 CO 0.00 0.36 -0.26 0.08 0.00 0.00 0.00 175.02 175.21 2b2x s VAL 141 N -0.44 2.23 -0.15 -6.03 1.01 -0.19 -4.77 120.40 112.07 2b2x s VAL 141 Ca 0.06 -1.49 -0.00 0.00 0.00 0.00 0.00 61.98 60.55 2b2x s VAL 141 Cb -0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2b2x s VAL 141 CO -0.00 0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 174.35 2b2x s THR 142 N -0.90 2.91 0.38 3.92 2.01 -1.26 -1.63 115.64 121.08 2b2x s THR 142 Ca 0.13 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.51 2b2x s THR 142 Cb -0.10 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 2b2x s THR 142 CO 0.04 0.51 0.08 -0.76 -0.69 0.00 0.00 174.62 173.80 2b2x s LEU 143 N 0.61 3.02 0.17 4.42 1.02 0.43 -4.67 118.68 123.68 2b2x s LEU 143 Ca -0.08 -1.10 -0.22 0.00 0.02 0.00 0.00 54.13 52.75 2b2x s LEU 143 Cb -0.16 -1.30 0.08 0.00 0.02 0.00 0.00 46.19 44.83 2b2x s LEU 143 CO 0.03 -0.41 1.07 -0.83 0.02 0.00 0.00 176.35 176.23 2b2x s GLY 144 N -3.79 0.13 -0.19 -3.19 0.00 -0.89 -0.33 107.32 99.06 2b2x s GLY 144 Ca 0.37 -0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.59 2b2x s GLY 144 CO 0.20 3.10 0.48 0.00 0.00 0.00 0.00 173.10 176.88 2b2x s LEU 146 N 0.81 4.05 -0.61 0.00 2.96 0.71 -2.56 118.68 124.04 2b2x s LEU 146 Ca -0.04 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 2b2x s LEU 146 Cb -0.05 -2.61 0.16 0.00 0.50 0.00 0.00 46.19 44.19 2b2x s LEU 146 CO -0.06 -0.26 0.51 -0.69 -1.32 0.00 0.00 176.35 174.53 2b2x s VAL 147 N 2.24 4.72 0.04 1.68 1.01 -0.09 -0.78 120.40 129.23 2b2x s VAL 147 Ca 0.20 -2.13 0.04 0.00 0.00 0.00 0.00 61.98 60.09 2b2x s VAL 147 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2b2x s VAL 147 CO 0.09 -0.88 -0.06 -0.75 0.00 0.00 0.00 175.10 173.50 2b2x s LYS 148 N 0.82 2.46 -1.21 2.72 2.20 -0.48 -0.99 119.74 125.26 2b2x s LYS 148 Ca 0.11 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2b2x s LYS 148 Cb -0.21 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2b2x s LYS 148 CO -0.03 0.57 1.05 0.41 -0.36 0.00 0.00 175.35 176.99 2b2x n GLY 149 N 1.18 -0.38 3.81 5.54 0.00 -0.11 -1.09 105.19 114.14 2b2x n GLY 149 Ca -0.14 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2b2x n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b2x s TYR 150 N -3.30 2.91 -0.28 1.61 -0.85 -0.95 -4.52 117.35 111.97 2b2x s TYR 150 Ca 0.44 -0.26 -0.20 0.00 -0.52 0.00 0.00 57.07 56.52 2b2x s TYR 150 Cb -0.19 -1.62 0.12 0.00 0.38 0.00 0.00 41.96 40.65 2b2x s TYR 150 CO 0.66 0.33 0.95 0.12 -1.52 0.00 0.00 175.55 176.09 2b2x s PHE 151 N -2.28 -0.61 0.00 -3.49 2.19 0.36 -0.06 117.98 114.09 2b2x s PHE 151 Ca 0.37 1.33 0.00 0.00 0.33 0.00 0.00 56.93 58.96 2b2x s PHE 151 Cb -0.06 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.04 2b2x s PHE 151 CO 0.25 -0.30 0.00 -0.35 1.83 0.00 0.00 175.22 176.65 2b2x n PRO 152 N 3.08 1.64 -1.84 10.12 -0.04 -1.26 -0.00 135.00 146.69 2b2x n PRO 152 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2b2x n PRO 152 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 2b2x n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b2x s GLU 153 N -0.01 3.34 0.62 0.54 0.41 -1.26 -4.78 118.70 117.56 2b2x s GLU 153 Ca 0.00 0.70 0.08 0.00 -0.41 0.00 0.00 54.97 55.33 2b2x s GLU 153 Cb 0.00 -2.06 0.10 0.00 -1.78 0.00 0.00 34.13 30.40 2b2x s GLU 153 CO 0.00 -0.75 0.85 -1.25 -0.49 0.00 0.00 175.26 173.62 2b2x s PRO 154 N -5.21 2.13 -0.03 0.39 0.04 -1.26 -4.99 135.00 126.07 2b2x s PRO 154 Ca 0.56 -1.59 -0.03 0.00 0.04 0.00 0.00 61.00 59.98 2b2x s PRO 154 Cb -0.11 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2b2x s PRO 154 CO 0.54 -1.03 0.08 0.54 0.04 0.00 0.00 177.00 177.17 2b2x s VAL 155 N -2.78 -0.01 -0.06 -0.36 0.11 -1.26 -4.42 120.40 111.61 2b2x s VAL 155 Ca 0.63 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.68 2b2x s VAL 155 Cb -0.05 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2b2x s VAL 155 CO 0.41 0.01 0.05 0.42 -3.33 0.00 0.00 175.10 172.65 2b2x s THR 156 N 0.15 4.64 -0.05 5.04 -4.23 -0.05 -4.95 115.64 116.19 2b2x s THR 156 Ca -0.01 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2b2x s THR 156 Cb -0.02 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2b2x s THR 156 CO -0.00 0.52 0.01 -0.69 -0.54 0.00 0.00 174.62 173.91 2b2x s VAL 157 N -1.01 0.24 0.21 2.29 1.01 -1.26 -1.75 120.40 120.13 2b2x s VAL 157 Ca 0.17 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2b2x s VAL 157 Cb -0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2b2x s VAL 157 CO 0.06 0.21 0.11 0.42 0.00 0.00 0.00 175.10 175.90 2b2x s THR 158 N 1.63 0.18 -0.05 3.92 -4.23 -0.55 -4.98 115.64 111.57 2b2x s THR 158 Ca -0.01 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2b2x s THR 158 Cb -0.13 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2b2x s THR 158 CO -0.03 -0.06 -0.23 0.26 -0.54 0.00 0.00 174.62 174.02 2b2x s TRP 159 N -4.03 2.18 -1.64 3.99 0.52 -1.26 -0.19 118.94 118.51 2b2x s TRP 159 Ca 0.37 -0.61 -0.16 0.00 0.02 0.00 0.00 56.10 55.72 2b2x s TRP 159 Cb 0.07 -1.44 0.13 0.00 -1.15 0.00 0.00 33.47 31.08 2b2x s TRP 159 CO 0.11 -0.18 0.79 0.09 0.02 0.00 0.00 176.95 177.79 2b2x n ASN 160 N 2.94 -3.32 -1.34 2.95 3.02 -0.31 -0.51 115.26 118.70 2b2x n ASN 160 Ca -0.17 -0.97 -0.17 0.00 -0.03 0.00 0.00 54.58 53.24 2b2x n ASN 160 Cb 0.52 -3.01 -0.07 0.00 -0.61 0.00 0.00 39.78 36.61 2b2x n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2b2x n SER 161 N -2.72 -5.04 0.00 6.41 7.64 -1.26 -2.51 113.62 116.14 2b2x n SER 161 Ca 0.03 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2b2x n SER 161 Cb 0.52 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2b2x n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b2x n GLY 162 N -0.90 0.94 0.05 0.23 0.00 0.34 -4.93 105.19 100.92 2b2x n GLY 162 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2b2x n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b2x n SER 163 N 0.00 0.37 -4.07 1.61 3.41 -1.04 -4.13 113.62 109.76 2b2x n SER 163 Ca 0.00 0.54 -0.35 0.00 -0.26 0.00 0.00 58.87 58.80 2b2x n SER 163 Cb 0.00 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.22 2b2x n SER 163 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2b2x s LEU 164 N -3.72 5.32 -0.07 1.04 0.20 -1.08 -4.83 118.68 115.54 2b2x s LEU 164 Ca 0.11 -3.42 0.16 0.00 0.69 0.00 0.00 54.13 51.67 2b2x s LEU 164 Cb 0.15 -1.85 -0.23 0.00 -0.43 0.00 0.00 46.19 43.82 2b2x s LEU 164 CO 0.52 -0.24 0.25 -1.54 -0.29 0.00 0.00 176.35 175.05 2b2x n SER 165 N 2.70 1.19 -4.77 3.68 3.41 -1.26 -4.25 113.62 114.32 2b2x n SER 165 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 2b2x n SER 165 Cb 0.37 1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 65.70 2b2x n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2b2x s SER 166 N -4.28 7.36 -0.93 4.04 0.01 -1.26 -3.78 113.70 114.86 2b2x s SER 166 Ca -0.07 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2b2x s SER 166 Cb 0.08 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2b2x s SER 166 CO 0.67 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.88 2b2x n GLY 167 N 0.89 0.36 3.64 3.44 0.00 -1.26 -4.69 105.19 107.57 2b2x n GLY 167 Ca 0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2b2x n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2x s VAL 168 N -2.46 4.22 -0.27 1.61 1.01 -1.25 -0.97 120.40 122.30 2b2x s VAL 168 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2b2x s VAL 168 Cb 0.00 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.68 2b2x s VAL 168 CO 0.00 0.58 0.07 -1.00 0.00 0.00 0.00 175.10 174.75 2b2x s HIS 169 N -0.60 1.42 -0.41 5.22 3.76 0.39 -4.97 115.29 120.10 2b2x s HIS 169 Ca 0.10 -1.40 -0.13 0.00 -0.15 0.00 0.00 55.06 53.48 2b2x s HIS 169 Cb -0.12 -1.43 0.04 0.00 1.11 0.00 0.00 32.58 32.18 2b2x s HIS 169 CO 0.02 -0.79 0.29 0.99 -0.85 0.00 0.00 174.74 174.40 2b2x s THR 170 N 1.72 4.92 0.39 1.30 2.01 -1.26 -0.45 115.64 124.26 2b2x s THR 170 Ca 0.06 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 2b2x s THR 170 Cb -0.17 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.42 2b2x s THR 170 CO -0.20 -0.37 0.95 -0.36 -0.69 0.00 0.00 174.62 173.96 2b2x s PHE 171 N 1.60 3.46 0.35 4.92 0.40 -0.46 -5.00 117.98 123.25 2b2x s PHE 171 Ca 0.04 1.68 -0.29 0.00 -0.60 0.00 0.00 56.93 57.76 2b2x s PHE 171 Cb -0.21 -2.89 -0.11 0.00 0.51 0.00 0.00 43.02 40.32 2b2x s PHE 171 CO 0.07 -0.01 1.46 -1.25 0.70 0.00 0.00 175.22 176.19 2b2x s PRO 172 N -2.70 4.17 0.53 0.24 0.04 -1.26 -4.29 135.00 131.73 2b2x s PRO 172 Ca 0.57 2.48 -0.22 0.00 0.04 0.00 0.00 61.00 63.87 2b2x s PRO 172 Cb -0.14 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 2b2x s PRO 172 CO 0.18 -0.47 1.33 0.00 0.04 0.00 0.00 177.00 178.08 2b2x s ALA 173 N -0.92 2.86 -0.14 8.56 0.00 -1.26 -4.86 121.76 126.00 2b2x s ALA 173 Ca 0.54 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 2b2x s ALA 173 Cb -0.45 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 2b2x s ALA 173 CO 0.58 -1.25 -0.08 0.08 0.00 0.00 0.00 175.76 175.09 2b2x s VAL 174 N -1.34 3.51 -0.26 0.00 1.01 -0.04 -4.89 120.40 118.38 2b2x s VAL 174 Ca 0.70 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2b2x s VAL 174 Cb -0.39 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2b2x s VAL 174 CO 0.46 0.51 0.24 -0.22 0.00 0.00 0.00 175.10 176.09 2b2x s LEU 175 N 0.33 4.06 -0.03 3.92 2.96 -1.26 -1.75 118.68 126.90 2b2x s LEU 175 Ca -0.07 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2b2x s LEU 175 Cb -0.15 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.36 2b2x s LEU 175 CO 0.04 -0.05 0.01 -1.58 -1.32 0.00 0.00 176.35 173.45 2b2x s GLN 176 N 1.62 0.24 -1.46 1.98 0.74 -0.30 -4.86 119.66 117.62 2b2x s GLN 176 Ca 0.10 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.54 2b2x s GLN 176 Cb -0.15 -0.52 0.06 0.00 1.10 0.00 0.00 33.01 33.50 2b2x s GLN 176 CO 0.09 -0.19 0.97 0.45 -0.55 0.00 0.00 175.29 176.06 2b2x n SER 177 N 4.43 -4.36 -1.71 6.67 2.88 -1.26 -2.20 113.62 118.08 2b2x n SER 177 Ca -0.21 -0.75 -0.15 0.00 -1.33 0.00 0.00 58.87 56.43 2b2x n SER 177 Cb 0.50 -4.12 -0.01 0.00 -0.75 0.00 0.00 64.21 59.83 2b2x n SER 177 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2b2x n ASP 178 N -2.91 -4.53 -3.82 -3.46 8.00 -1.26 -5.01 116.55 103.56 2b2x n ASP 178 Ca -0.03 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 2b2x n ASP 178 Cb 0.56 -3.68 -0.14 0.00 -0.02 0.00 0.00 41.12 37.84 2b2x n ASP 178 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2b2x s LEU 179 N -4.31 1.43 0.41 0.64 1.43 -0.93 -4.85 118.68 112.50 2b2x s LEU 179 Ca 0.00 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2b2x s LEU 179 Cb 0.00 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.43 2b2x s LEU 179 CO 0.00 -0.06 0.65 -0.31 0.23 0.00 0.00 176.35 176.86 2b2x s TYR 180 N 0.40 3.48 -0.20 0.29 1.51 0.92 -1.15 117.35 122.60 2b2x s TYR 180 Ca -0.03 0.50 -0.10 0.00 -1.01 0.00 0.00 57.07 56.42 2b2x s TYR 180 Cb -0.04 -2.11 0.07 0.00 -0.11 0.00 0.00 41.96 39.76 2b2x s TYR 180 CO -0.02 -0.10 0.48 0.99 -1.11 0.00 0.00 175.55 175.79 2b2x s THR 181 N -2.51 -0.09 0.16 -0.71 2.01 -0.72 -0.93 115.64 112.85 2b2x s THR 181 Ca 0.44 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 2b2x s THR 181 Cb -0.10 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2b2x s THR 181 CO 0.39 0.03 0.09 -1.48 -0.69 0.00 0.00 174.62 172.97 2b2x s LEU 182 N 1.59 1.49 0.04 4.42 0.05 -0.16 -0.87 118.68 125.25 2b2x s LEU 182 Ca -0.09 -1.28 -0.02 0.00 0.05 0.00 0.00 54.13 52.78 2b2x s LEU 182 Cb -0.08 0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 2b2x s LEU 182 CO -0.14 -0.78 0.01 -0.94 -0.55 0.00 0.00 176.35 173.95 2b2x s SER 183 N -3.10 0.35 0.00 1.48 1.04 -1.26 -0.91 113.70 111.31 2b2x s SER 183 Ca 0.31 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2b2x s SER 183 Cb 0.07 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2b2x s SER 183 CO 0.06 -0.53 -0.06 -0.55 0.98 0.00 0.00 173.24 173.15 2b2x s SER 184 N -2.45 0.66 0.17 7.02 0.15 -1.06 -1.35 113.70 116.84 2b2x s SER 184 Ca -0.00 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.58 2b2x s SER 184 Cb 0.02 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2b2x s SER 184 CO -0.07 0.04 -0.18 -0.94 1.20 0.00 0.00 173.24 173.29 2b2x s SER 185 N -0.30 2.68 -0.09 5.45 1.04 0.40 -1.78 113.70 121.10 2b2x s SER 185 Ca 0.01 -0.88 -0.07 0.00 0.48 0.00 0.00 55.95 55.48 2b2x s SER 185 Cb -0.03 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.96 2b2x s SER 185 CO -0.00 -0.05 0.24 0.54 0.98 0.00 0.00 173.24 174.94 2b2x s VAL 186 N -2.18 -0.01 -0.16 5.02 0.11 0.55 -0.47 120.40 123.26 2b2x s VAL 186 Ca 0.17 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2b2x s VAL 186 Cb -0.05 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2b2x s VAL 186 CO 0.07 0.02 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.77 2b2x s THR 187 N 0.47 2.21 0.16 5.04 2.01 -0.14 -0.43 115.64 124.96 2b2x s THR 187 Ca -0.03 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.12 2b2x s THR 187 Cb -0.04 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2b2x s THR 187 CO -0.02 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.01 2b2x s VAL 188 N 1.04 1.32 0.29 3.82 -7.23 -0.64 -4.68 120.40 114.32 2b2x s VAL 188 Ca -0.01 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 2b2x s VAL 188 Cb -0.14 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.79 2b2x s VAL 188 CO -0.06 -0.71 1.51 -2.16 -0.31 0.00 0.00 175.10 173.37 2b2x s PRO 189 N -3.72 4.19 0.40 4.82 0.04 -1.26 -1.03 135.00 138.45 2b2x s PRO 189 Ca 0.18 2.45 0.15 0.00 0.04 0.00 0.00 61.00 63.82 2b2x s PRO 189 Cb 0.02 -3.05 1.00 0.00 0.04 0.00 0.00 34.50 32.50 2b2x s PRO 189 CO 0.02 -0.51 1.86 0.66 0.04 0.00 0.00 177.00 179.07 2b2x h SER 190 N 4.66 0.48 0.08 6.66 4.64 -1.53 0.65 113.55 129.20 2b2x h SER 190 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2b2x h SER 190 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2b2x h SER 190 CO 0.76 0.21 0.00 0.77 -0.87 0.00 0.00 176.83 177.71 2b2x h SER 191 N 0.49 0.00 0.48 4.97 4.64 -1.90 -2.69 113.55 119.55 2b2x h SER 191 Ca 0.46 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.48 2b2x h SER 191 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 2b2x h SER 191 CO -0.19 0.00 -1.66 0.74 -0.87 0.00 0.00 176.83 174.85 2b2x h THR 192 N 0.00 0.93 -4.16 2.95 2.02 -0.03 -3.44 112.91 111.18 2b2x h THR 192 Ca 0.00 -2.73 -0.60 0.00 0.77 0.00 0.00 66.41 63.85 2b2x h THR 192 Cb 0.04 2.52 -0.25 0.00 -1.74 0.00 0.00 68.15 68.71 2b2x h THR 192 CO 0.00 0.64 -0.85 0.86 0.37 0.00 0.00 175.52 176.54 2b2x s TRP 193 N -2.61 1.91 -1.57 3.16 -0.00 -1.01 0.16 118.94 118.98 2b2x s TRP 193 Ca -0.07 -0.38 0.07 0.00 -0.00 0.00 0.00 56.10 55.71 2b2x s TRP 193 Cb 0.08 -1.13 0.24 0.00 -0.00 0.00 0.00 33.47 32.66 2b2x s TRP 193 CO 0.82 0.12 1.10 -0.35 -0.00 0.00 0.00 176.95 178.63 2b2x n PRO 194 N 1.73 1.84 -0.18 5.86 -0.04 -1.26 -4.79 135.00 138.16 2b2x n PRO 194 Ca -0.17 -0.96 0.01 0.00 -0.04 0.00 0.00 63.50 62.33 2b2x n PRO 194 Cb 0.53 -1.39 0.26 0.00 -0.04 0.00 0.00 33.50 32.86 2b2x n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2b2x h SER 195 N 1.43 0.81 -3.54 3.54 4.64 -1.85 -3.41 113.55 115.18 2b2x h SER 195 Ca 0.00 -0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.61 2b2x h SER 195 Cb 0.57 -0.20 -0.17 0.00 -0.31 0.00 0.00 62.40 62.29 2b2x h SER 195 CO 0.06 0.60 -0.68 -1.61 -0.87 0.00 0.00 176.83 174.33 2b2x s GLU 196 N -5.76 2.69 0.16 4.77 2.02 0.12 -5.09 118.70 117.61 2b2x s GLU 196 Ca -0.11 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 53.95 2b2x s GLU 196 Cb 0.18 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 2b2x s GLU 196 CO 0.78 0.63 1.49 0.99 0.02 0.00 0.00 175.26 179.17 2b2x s THR 197 N -0.96 2.87 -0.15 3.63 2.01 -1.26 -4.59 115.64 117.19 2b2x s THR 197 Ca 0.16 0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 2b2x s THR 197 Cb -0.11 -3.41 0.04 0.00 0.01 0.00 0.00 72.50 69.03 2b2x s THR 197 CO 0.06 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.32 2b2x s VAL 198 N 1.00 0.96 0.01 3.82 1.01 -1.26 -4.95 120.40 120.98 2b2x s VAL 198 Ca 0.67 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 2b2x s VAL 198 Cb -0.41 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2b2x s VAL 198 CO 0.32 0.13 -0.01 0.42 0.00 0.00 0.00 175.10 175.96 2b2x s THR 199 N 1.70 0.06 -0.13 3.92 -4.23 -1.26 -0.26 115.64 115.44 2b2x s THR 199 Ca 0.01 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 2b2x s THR 199 Cb -0.15 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 2b2x s THR 199 CO -0.07 -0.27 0.16 0.00 -0.54 0.00 0.00 174.62 173.89 2b2x s ASN 201 N -0.70 5.30 0.02 0.00 0.01 0.73 -0.94 114.94 119.36 2b2x s ASN 201 Ca 0.14 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 51.92 2b2x s ASN 201 Cb -0.12 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 2b2x s ASN 201 CO 0.03 -0.14 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.55 2b2x s VAL 202 N 1.59 1.96 -0.01 1.60 1.01 0.03 -1.48 120.40 125.10 2b2x s VAL 202 Ca 0.05 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 2b2x s VAL 202 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2b2x s VAL 202 CO 0.04 0.42 0.02 0.00 0.00 0.00 0.00 175.10 175.59 2b2x s ALA 203 N -0.70 -0.01 -0.46 5.51 0.00 -0.72 -0.68 121.76 124.70 2b2x s ALA 203 Ca 0.10 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2b2x s ALA 203 Cb -0.10 -0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.05 2b2x s ALA 203 CO 0.01 -0.04 0.22 -1.58 0.00 0.00 0.00 175.76 174.37 2b2x s HIS 204 N 0.33 2.75 0.32 0.00 2.46 -0.27 -0.87 115.29 120.01 2b2x s HIS 204 Ca -0.03 -2.82 0.07 0.00 0.47 0.00 0.00 55.06 52.75 2b2x s HIS 204 Cb -0.04 -2.45 0.75 0.00 -0.13 0.00 0.00 32.58 30.71 2b2x s HIS 204 CO -0.01 -0.78 1.81 -1.00 -2.47 0.00 0.00 174.74 172.29 2b2x h PRO 205 N 6.78 0.74 0.00 2.88 0.13 -1.79 -1.36 132.00 139.38 2b2x h PRO 205 Ca -0.06 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2b2x h PRO 205 Cb 0.92 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2b2x h PRO 205 CO 0.59 0.49 -0.04 0.00 -0.23 0.00 0.00 178.00 178.80 2b2x h ALA 206 N 1.61 1.45 -0.16 -0.56 0.00 -1.92 -0.56 119.26 119.13 2b2x h ALA 206 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2b2x h ALA 206 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2b2x h ALA 206 CO -0.30 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 2b2x n SER 207 N -3.80 2.34 -3.74 0.00 3.41 -0.93 -4.98 113.62 105.93 2b2x n SER 207 Ca -0.03 -1.69 -0.22 0.00 -0.26 0.00 0.00 58.87 56.67 2b2x n SER 207 Cb 0.14 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 2b2x n SER 207 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2b2x n SER 208 N 0.56 -1.13 -4.62 4.04 2.88 -0.22 -4.98 113.62 110.15 2b2x n SER 208 Ca 0.09 -0.86 -0.33 0.00 -1.33 0.00 0.00 58.87 56.44 2b2x n SER 208 Cb 0.34 -3.87 -0.10 0.00 -0.75 0.00 0.00 64.21 59.83 2b2x n SER 208 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2b2x s THR 209 N -3.72 3.86 -0.08 2.46 2.01 -0.65 -4.99 115.64 114.53 2b2x s THR 209 Ca 0.02 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 2b2x s THR 209 Cb -0.00 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 69.89 2b2x s THR 209 CO 0.83 0.47 0.18 -0.54 -0.69 0.00 0.00 174.62 174.86 2b2x s LYS 210 N -1.23 0.10 -0.05 4.92 1.02 -1.26 -1.11 119.74 122.13 2b2x s LYS 210 Ca 0.16 0.48 -0.03 0.00 0.02 0.00 0.00 55.97 56.60 2b2x s LYS 210 Cb -0.11 -0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.04 2b2x s LYS 210 CO 0.06 -0.21 0.11 0.54 -0.92 0.00 0.00 175.35 174.92 2b2x s VAL 211 N 1.59 -0.03 -0.39 3.17 0.11 0.14 -5.02 120.40 119.97 2b2x s VAL 211 Ca -0.05 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2b2x s VAL 211 Cb -0.12 -0.17 0.08 0.00 -1.53 0.00 0.00 36.38 34.64 2b2x s VAL 211 CO -0.07 0.04 0.20 -1.81 -3.33 0.00 0.00 175.10 170.13 2b2x s ASP 212 N 0.64 5.44 -0.41 3.54 1.01 -1.26 -0.79 116.67 124.84 2b2x s ASP 212 Ca -0.05 -1.53 -0.14 0.00 0.71 0.00 0.00 52.55 51.55 2b2x s ASP 212 Cb -0.07 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 41.98 2b2x s ASP 212 CO -0.03 -0.48 0.29 -0.75 0.21 0.00 0.00 175.17 174.41 2b2x s LYS 213 N 1.35 2.92 0.18 8.23 2.47 -0.12 -4.93 119.74 129.84 2b2x s LYS 213 Ca 0.02 -1.09 -0.30 0.00 -1.56 0.00 0.00 55.97 53.04 2b2x s LYS 213 Cb -0.22 -3.93 -0.08 0.00 -1.46 0.00 0.00 37.83 32.15 2b2x s LYS 213 CO 0.01 -0.78 1.12 0.21 0.16 0.00 0.00 175.35 176.06 2b2x s LYS 214 N 1.63 4.58 -0.35 4.03 2.20 -1.26 -1.26 119.74 129.31 2b2x s LYS 214 Ca 0.04 1.75 -0.22 0.00 -0.36 0.00 0.00 55.97 57.18 2b2x s LYS 214 Cb -0.20 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2b2x s LYS 214 CO 0.08 0.05 0.70 0.42 -0.36 0.00 0.00 175.35 176.25 2b2x s ILE 215 N -0.25 4.83 -0.15 5.43 -1.09 0.64 -4.91 121.20 125.71 2b2x s ILE 215 Ca 0.50 0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 59.67 2b2x s ILE 215 Cb -0.30 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.44 2b2x s ILE 215 CO 0.35 -0.34 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.94 2b2x s VAL 216 N 2.86 3.32 -1.57 2.92 1.01 -1.26 -4.70 120.40 122.98 2b2x s VAL 216 Ca 0.28 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2b2x s VAL 216 Cb -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2b2x s VAL 216 CO 0.15 0.50 0.39 -0.81 0.00 0.00 0.00 175.10 175.34