#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5x h LEU 11 N 0.00 -1.19 -3.42 2.23 5.85 -1.99 -2.45 115.31 114.35 2p5x h LEU 11 Ca 0.00 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2p5x h LEU 11 Cb 0.00 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2p5x h LEU 11 CO 0.00 -0.33 0.06 1.41 -0.34 0.00 0.00 178.44 179.24 2p5x n HIS 12 N -5.42 1.41 -3.84 1.25 8.25 -1.26 -4.97 115.22 110.65 2p5x n HIS 12 Ca 0.01 -1.11 -0.26 0.00 -0.26 0.00 0.00 57.72 56.10 2p5x n HIS 12 Cb 0.34 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 2p5x n HIS 12 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2p5x s LYS 13 N -2.96 3.47 -0.39 -0.41 1.02 -0.92 -5.06 119.74 114.49 2p5x s LYS 13 Ca 0.47 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.67 2p5x s LYS 13 Cb 0.38 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2p5x s LYS 13 CO 0.08 0.45 0.96 0.50 -0.92 0.00 0.00 175.35 176.42 2p5x s ARG 14 N -3.41 3.81 -0.16 1.68 3.52 -1.26 -5.00 118.95 118.12 2p5x s ARG 14 Ca 0.36 0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 56.50 2p5x s ARG 14 Cb -0.11 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2p5x s ARG 14 CO 0.29 -1.02 -0.07 0.08 -0.81 0.00 0.00 175.30 173.77 2p5x s VAL 15 N 3.62 3.56 -0.21 7.11 1.01 -1.26 -2.18 120.40 132.06 2p5x s VAL 15 Ca 0.40 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 2p5x s VAL 15 Cb -0.11 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 2p5x s VAL 15 CO 0.21 0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 175.04 2p5x s VAL 16 N 0.51 3.15 -0.39 2.92 1.01 0.11 -0.40 120.40 127.31 2p5x s VAL 16 Ca -0.05 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2p5x s VAL 16 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2p5x s VAL 16 CO 0.03 0.45 0.66 -0.22 0.00 0.00 0.00 175.10 176.02 2p5x s LEU 17 N 1.36 4.32 -0.60 3.92 2.96 0.07 -0.16 118.68 130.54 2p5x s LEU 17 Ca 0.04 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2p5x s LEU 17 Cb -0.14 -2.79 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 2p5x s LEU 17 CO -0.04 -0.68 3.06 0.00 -1.32 0.00 0.00 176.35 177.37 2p5x n ALA 18 N 6.18 6.66 -3.64 5.97 0.00 0.25 -1.54 120.51 134.40 2p5x n ALA 18 Ca -0.01 -2.83 -0.10 0.00 0.00 0.00 0.00 53.44 50.50 2p5x n ALA 18 Cb 0.48 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.34 2p5x n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p5x s SER 19 N 1.26 -0.70 0.00 0.00 0.15 -1.25 -3.82 113.70 109.34 2p5x s SER 19 Ca 0.63 1.17 0.30 0.00 0.70 0.00 0.00 55.95 58.75 2p5x s SER 19 Cb 0.30 1.07 1.46 0.00 -1.71 0.00 0.00 66.02 67.14 2p5x s SER 19 CO -0.10 -0.21 2.00 0.00 1.20 0.00 0.00 173.24 176.13 2p5x n ALA 20 N 4.05 2.66 -1.88 5.45 0.00 -1.26 -4.66 120.51 124.86 2p5x n ALA 20 Ca -0.20 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 2p5x n ALA 20 Cb 0.57 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2p5x n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p5x s SER 21 N -2.35 6.32 0.34 0.00 0.15 -1.26 -4.87 113.70 112.03 2p5x s SER 21 Ca 0.34 2.11 0.05 0.00 0.70 0.00 0.00 55.95 59.15 2p5x s SER 21 Cb 0.21 -2.53 0.70 0.00 -1.71 0.00 0.00 66.02 62.69 2p5x s SER 21 CO 0.44 -1.23 1.92 -0.65 1.20 0.00 0.00 173.24 174.91 2p5x h PRO 22 N 11.11 0.80 -0.34 5.44 0.11 -1.99 -2.09 132.00 145.03 2p5x h PRO 22 Ca -0.41 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2p5x h PRO 22 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2p5x h PRO 22 CO 0.97 0.53 -0.04 0.00 -0.21 0.00 0.00 178.00 179.24 2p5x h ARG 23 N 0.82 0.63 -0.31 1.05 3.08 -1.89 0.44 114.38 118.20 2p5x h ARG 23 Ca 0.37 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2p5x h ARG 23 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2p5x h ARG 23 CO -0.14 0.78 0.20 0.00 -1.07 0.00 0.00 179.97 179.73 2p5x h ARG 24 N 0.43 0.41 -0.12 0.04 3.08 -1.79 -2.25 114.38 114.18 2p5x h ARG 24 Ca 0.09 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2p5x h ARG 24 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2p5x h ARG 24 CO 0.03 0.28 -0.05 1.96 -1.07 0.00 0.00 179.97 181.12 2p5x h GLN 25 N 0.41 -0.03 -0.52 0.04 4.20 -1.20 -1.78 115.11 116.24 2p5x h GLN 25 Ca 0.11 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.90 2p5x h GLN 25 Cb -0.03 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 2p5x h GLN 25 CO -0.02 -0.02 0.16 0.93 -0.67 0.00 0.00 178.83 179.20 2p5x h GLU 26 N -0.03 0.31 -0.27 1.46 5.08 -0.86 0.91 114.58 121.17 2p5x h GLU 26 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2p5x h GLU 26 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2p5x h GLU 26 CO -0.14 0.20 0.18 0.82 -1.00 0.00 0.00 179.01 179.07 2p5x h ILE 27 N 0.32 1.07 -0.39 3.13 2.04 -1.10 -0.44 117.51 122.15 2p5x h ILE 27 Ca 0.26 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.87 2p5x h ILE 27 Cb 0.31 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2p5x h ILE 27 CO -0.29 0.07 -0.17 -0.07 0.00 0.00 0.00 178.15 177.69 2p5x h LEU 28 N 0.36 0.82 -0.16 1.44 3.38 -1.03 -2.18 115.31 117.94 2p5x h LEU 28 Ca 0.10 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2p5x h LEU 28 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2p5x h LEU 28 CO -0.02 1.04 0.07 0.28 0.09 0.00 0.00 178.44 179.90 2p5x h SER 29 N 0.60 0.11 -0.08 -0.43 0.02 -0.72 -2.00 113.55 111.05 2p5x h SER 29 Ca 0.09 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2p5x h SER 29 Cb 0.72 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2p5x h SER 29 CO 0.05 0.09 0.06 0.78 -1.14 0.00 0.00 176.83 176.67 2p5x h ASN 30 N 0.16 0.00 0.23 3.07 2.35 -1.04 0.11 115.58 120.46 2p5x h ASN 30 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2p5x h ASN 30 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2p5x h ASN 30 CO -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.73 2p5x n ALA 31 N -2.52 2.57 -0.60 -0.83 0.00 -0.83 -4.91 120.51 113.39 2p5x n ALA 31 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2p5x n ALA 31 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2p5x n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p5x n GLY 32 N 1.06 0.70 3.75 0.00 0.00 0.38 -5.05 105.19 106.03 2p5x n GLY 32 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2p5x n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p5x s LEU 33 N 0.00 4.54 -0.22 0.99 2.96 -0.80 -5.01 118.68 121.15 2p5x s LEU 33 Ca 0.00 1.70 -0.08 0.00 -0.22 0.00 0.00 54.13 55.53 2p5x s LEU 33 Cb 0.00 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 2p5x s LEU 33 CO 0.00 0.07 0.10 -0.13 -1.32 0.00 0.00 176.35 175.07 2p5x s ARG 34 N -0.55 3.91 0.02 1.98 1.81 -1.26 -4.32 118.95 120.54 2p5x s ARG 34 Ca 0.41 -0.36 -0.20 0.00 -1.72 0.00 0.00 55.73 53.86 2p5x s ARG 34 Cb -0.23 -3.35 0.04 0.00 -0.45 0.00 0.00 34.95 30.96 2p5x s ARG 34 CO 0.28 0.07 0.44 -0.59 -0.68 0.00 0.00 175.30 174.82 2p5x s PHE 35 N 0.97 -0.32 -0.03 -0.53 -0.12 -1.26 -4.41 117.98 112.27 2p5x s PHE 35 Ca 0.05 0.38 -0.03 0.00 -0.05 0.00 0.00 56.93 57.28 2p5x s PHE 35 Cb -0.14 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 2p5x s PHE 35 CO 0.03 -0.56 0.13 -1.83 -0.05 0.00 0.00 175.22 172.94 2p5x s GLU 36 N -2.14 3.29 -0.33 1.99 -1.05 0.46 -4.92 118.70 116.00 2p5x s GLU 36 Ca -0.07 -0.34 -0.14 0.00 -0.15 0.00 0.00 54.97 54.27 2p5x s GLU 36 Cb -0.01 -3.02 -0.02 0.00 -0.44 0.00 0.00 34.13 30.63 2p5x s GLU 36 CO 0.00 0.69 0.29 0.08 0.95 0.00 0.00 175.26 177.27 2p5x s VAL 37 N -1.20 5.24 -0.37 1.83 1.01 -1.26 -0.75 120.40 124.89 2p5x s VAL 37 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2p5x s VAL 37 Cb -0.12 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.65 2p5x s VAL 37 CO 0.13 0.01 0.18 -0.69 0.00 0.00 0.00 175.10 174.73 2p5x s VAL 38 N 1.86 0.94 0.61 2.92 1.01 -0.59 -4.98 120.40 122.17 2p5x s VAL 38 Ca 0.09 -1.92 -0.19 0.00 0.00 0.00 0.00 61.98 59.95 2p5x s VAL 38 Cb -0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2p5x s VAL 38 CO 0.11 -0.83 1.33 -2.65 0.00 0.00 0.00 175.10 173.06 2p5x n PRO 39 N 4.17 1.35 -2.66 2.72 -0.02 -1.26 -3.93 135.00 135.37 2p5x n PRO 39 Ca 0.05 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 2p5x n PRO 39 Cb 0.38 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 2p5x n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2p5x s SER 40 N -1.19 6.66 0.00 2.55 0.15 -1.25 -4.89 113.70 115.73 2p5x s SER 40 Ca 0.78 1.85 0.25 0.00 0.70 0.00 0.00 55.95 59.53 2p5x s SER 40 Cb -0.39 -2.56 0.31 0.00 -1.71 0.00 0.00 66.02 61.66 2p5x s SER 40 CO 0.44 -0.55 1.33 0.29 1.20 0.00 0.00 173.24 175.94 2p5x n LYS 41 N -0.65 2.23 -1.58 5.44 5.02 -1.26 -4.93 118.16 122.42 2p5x n LYS 41 Ca 0.08 -1.79 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 2p5x n LYS 41 Cb 0.53 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 2p5x n LYS 41 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2p5x n PHE 42 N 1.18 1.84 0.12 2.13 7.35 -1.26 -4.76 117.46 124.06 2p5x n PHE 42 Ca 0.15 -0.06 0.02 0.00 -0.76 0.00 0.00 57.45 56.79 2p5x n PHE 42 Cb 0.57 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.67 2p5x n PHE 42 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2p5x n LYS 43 N 8.79 4.09 -1.88 -4.13 2.85 -1.26 -4.94 118.16 121.68 2p5x n LYS 43 Ca 0.32 -0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 57.15 2p5x n LYS 43 Cb 0.45 -0.80 -0.03 0.00 -0.65 0.00 0.00 35.03 34.01 2p5x n LYS 43 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2p5x s GLU 44 N -1.62 4.19 -0.13 -1.58 2.12 -1.26 -5.00 118.70 115.42 2p5x s GLU 44 Ca 0.01 2.40 -0.02 0.00 0.36 0.00 0.00 54.97 57.72 2p5x s GLU 44 Cb 0.03 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2p5x s GLU 44 CO 0.15 -0.72 -0.06 0.15 -0.54 0.00 0.00 175.26 174.25 2p5x s LYS 45 N 2.14 3.41 0.94 4.30 1.02 -1.26 -5.10 119.74 125.19 2p5x s LYS 45 Ca 0.74 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 2p5x s LYS 45 Cb -0.43 -2.80 0.15 0.00 -0.52 0.00 0.00 37.83 34.24 2p5x s LYS 45 CO 0.33 0.35 1.10 -0.51 -0.92 0.00 0.00 175.35 175.69 2p5x s LEU 46 N 0.06 1.97 -0.47 3.17 1.43 -1.26 -4.94 118.68 118.64 2p5x s LEU 46 Ca -0.01 1.30 -0.28 0.00 -1.03 0.00 0.00 54.13 54.11 2p5x s LEU 46 Cb -0.14 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.49 2p5x s LEU 46 CO 0.03 -2.81 1.07 -0.62 0.23 0.00 0.00 176.35 174.25 2p5x s ASP 47 N -3.52 6.58 0.44 2.29 -1.08 -1.26 -4.90 116.67 115.22 2p5x s ASP 47 Ca 0.64 0.34 0.15 0.00 -0.52 0.00 0.00 52.55 53.17 2p5x s ASP 47 Cb -0.18 -2.52 1.06 0.00 -1.46 0.00 0.00 42.92 39.83 2p5x s ASP 47 CO 0.57 -1.19 1.95 0.11 0.52 0.00 0.00 175.17 177.13 2p5x h LYS 48 N 9.18 0.38 0.00 4.34 1.57 -1.96 0.20 116.57 130.28 2p5x h LYS 48 Ca -0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2p5x h LYS 48 Cb 1.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2p5x h LYS 48 CO 1.09 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 180.23 2p5x h ALA 49 N 1.67 1.00 -0.00 3.86 0.00 -2.00 -2.98 119.26 120.82 2p5x h ALA 49 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2p5x h ALA 49 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2p5x h ALA 49 CO -0.09 0.00 -0.01 0.43 0.00 0.00 0.00 179.25 179.58 2p5x n SER 50 N -2.35 0.08 -4.27 0.00 7.64 0.06 -4.78 113.62 110.00 2p5x n SER 50 Ca 0.02 -0.56 -0.32 0.00 1.01 0.00 0.00 58.87 59.02 2p5x n SER 50 Cb 0.23 -0.14 -0.16 0.00 -1.01 0.00 0.00 64.21 63.12 2p5x n SER 50 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2p5x s PHE 51 N -2.32 2.47 0.31 1.43 0.08 -1.13 -5.02 117.98 113.80 2p5x s PHE 51 Ca 0.37 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.72 2p5x s PHE 51 Cb 0.21 -1.61 0.64 0.00 -0.57 0.00 0.00 43.02 41.69 2p5x s PHE 51 CO 0.42 -0.22 1.87 0.00 -0.10 0.00 0.00 175.22 177.19 2p5x h ALA 52 N 6.11 1.63 -3.38 5.36 0.00 -1.88 -3.45 119.26 123.66 2p5x h ALA 52 Ca -0.31 0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.20 2p5x h ALA 52 Cb 1.18 -0.19 -0.21 0.00 0.00 0.00 0.00 17.79 18.56 2p5x h ALA 52 CO 0.47 0.16 -0.78 0.95 0.00 0.00 0.00 179.25 180.05 2p5x s THR 53 N -5.84 1.09 0.37 0.00 -4.23 -1.26 -5.05 115.64 100.72 2p5x s THR 53 Ca -0.11 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2p5x s THR 53 Cb 0.21 -1.06 0.25 0.00 1.34 0.00 0.00 72.50 73.24 2p5x s THR 53 CO 0.80 -0.24 2.01 1.55 -0.54 0.00 0.00 174.62 178.20 2p5x h PRO 54 N 4.27 0.67 -0.26 3.99 0.13 -1.93 -2.74 132.00 136.13 2p5x h PRO 54 Ca -0.41 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2p5x h PRO 54 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2p5x h PRO 54 CO 0.41 0.47 -0.25 0.10 -0.23 0.00 0.00 178.00 178.50 2p5x h TYR 55 N 0.69 0.56 -0.74 1.56 -0.00 -1.97 -0.49 116.97 116.57 2p5x h TYR 55 Ca 0.18 -0.12 0.10 0.00 0.00 0.00 0.00 58.73 58.89 2p5x h TYR 55 Cb -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 36.73 36.49 2p5x h TYR 55 CO 0.00 0.71 0.38 0.78 -0.00 0.00 0.00 178.16 180.03 2p5x h GLY 56 N 1.02 1.12 0.90 0.10 0.00 -1.91 0.13 103.07 104.42 2p5x h GLY 56 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2p5x h GLY 56 CO 0.05 0.07 0.08 -1.82 0.00 0.00 0.00 176.54 174.92 2p5x h TYR 57 N 0.64 0.28 -0.51 5.60 3.20 -1.16 -1.64 116.97 123.37 2p5x h TYR 57 Ca 0.36 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 2p5x h TYR 57 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2p5x h TYR 57 CO -0.10 0.32 0.27 0.00 -1.64 0.00 0.00 178.16 177.01 2p5x h ALA 58 N 0.93 0.66 -0.21 1.82 0.00 -0.73 -1.79 119.26 119.94 2p5x h ALA 58 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2p5x h ALA 58 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2p5x h ALA 58 CO -0.01 0.19 0.05 0.52 0.00 0.00 0.00 179.25 180.01 2p5x h MET 59 N 0.68 0.33 -0.95 0.00 2.86 -0.69 -1.28 114.93 115.88 2p5x h MET 59 Ca 0.18 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2p5x h MET 59 Cb 0.07 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 2p5x h MET 59 CO -0.03 0.45 0.62 1.49 1.06 0.00 0.00 176.91 180.50 2p5x h GLU 60 N 0.15 1.26 -0.21 1.72 4.57 -1.22 0.19 114.58 121.03 2p5x h GLU 60 Ca 0.06 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2p5x h GLU 60 Cb 0.26 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2p5x h GLU 60 CO 0.00 0.84 0.13 1.15 -1.18 0.00 0.00 179.01 179.94 2p5x h THR 61 N 1.29 1.09 -0.77 0.32 2.02 -1.21 -0.46 112.91 115.17 2p5x h THR 61 Ca 0.35 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2p5x h THR 61 Cb -0.14 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 2p5x h THR 61 CO -0.07 0.08 0.50 0.00 0.37 0.00 0.00 175.52 176.40 2p5x h ALA 62 N 1.03 1.01 -0.13 6.16 0.00 -0.69 -1.79 119.26 124.85 2p5x h ALA 62 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2p5x h ALA 62 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2p5x h ALA 62 CO -0.01 0.32 0.08 -0.22 0.00 0.00 0.00 179.25 179.42 2p5x h LYS 63 N 0.98 0.17 -0.73 0.00 3.64 -0.38 -2.06 116.57 118.19 2p5x h LYS 63 Ca 0.30 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2p5x h LYS 63 Cb -0.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2p5x h LYS 63 CO -0.10 0.12 0.34 1.96 -2.27 0.00 0.00 179.45 179.49 2p5x h GLN 64 N 0.17 1.06 -0.75 1.90 1.08 -0.97 -0.53 115.11 117.07 2p5x h GLN 64 Ca 0.05 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2p5x h GLN 64 Cb -0.01 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 2p5x h GLN 64 CO -0.01 0.84 0.31 0.87 -0.95 0.00 0.00 178.83 179.89 2p5x h LYS 65 N 1.03 1.10 -0.16 1.46 1.57 -1.20 -1.52 116.57 118.84 2p5x h LYS 65 Ca 0.25 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 2p5x h LYS 65 Cb 0.14 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2p5x h LYS 65 CO -0.03 0.88 -0.67 0.00 -0.57 0.00 0.00 179.45 179.06 2p5x h ALA 66 N 1.26 0.53 -0.15 3.86 0.00 -0.93 -2.80 119.26 121.03 2p5x h ALA 66 Ca 0.25 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2p5x h ALA 66 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2p5x h ALA 66 CO -0.02 0.71 -0.49 -0.07 0.00 0.00 0.00 179.25 179.38 2p5x h LEU 67 N 0.44 0.44 -0.18 0.00 3.38 -1.01 -0.13 115.31 118.25 2p5x h LEU 67 Ca -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2p5x h LEU 67 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2p5x h LEU 67 CO 0.13 0.85 0.08 -0.08 0.09 0.00 0.00 178.44 179.51 2p5x h GLU 68 N 0.32 0.27 -0.09 1.13 4.22 -1.23 -2.13 114.58 117.07 2p5x h GLU 68 Ca 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 2p5x h GLU 68 Cb 0.98 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2p5x h GLU 68 CO 0.08 0.33 0.03 0.28 -2.18 0.00 0.00 179.01 177.55 2p5x h VAL 69 N 0.15 1.16 -0.05 0.32 2.07 -1.42 -1.37 116.25 117.12 2p5x h VAL 69 Ca 0.06 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2p5x h VAL 69 Cb 0.15 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2p5x h VAL 69 CO -0.01 0.14 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 2p5x h ALA 70 N 0.86 -0.24 -0.61 1.67 0.00 -0.97 -0.11 119.26 119.86 2p5x h ALA 70 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2p5x h ALA 70 Cb 0.19 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2p5x h ALA 70 CO -0.00 -0.70 0.30 -0.91 0.00 0.00 0.00 179.25 177.94 2p5x h ASN 71 N -0.32 0.79 -0.40 0.00 2.35 -1.44 -2.13 115.58 114.44 2p5x h ASN 71 Ca 0.08 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2p5x h ASN 71 Cb 0.42 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2p5x h ASN 71 CO -0.23 0.69 0.19 -0.09 -1.65 0.00 0.00 177.43 176.34 2p5x h ARG 72 N 0.83 0.57 -0.11 0.81 2.43 -0.96 0.15 114.38 118.09 2p5x h ARG 72 Ca 0.21 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2p5x h ARG 72 Cb 0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2p5x h ARG 72 CO -0.03 0.50 0.07 -0.07 -1.51 0.00 0.00 179.97 178.93 2p5x h LEU 73 N 0.50 0.13 -0.15 3.80 3.38 -0.97 -1.92 115.31 120.09 2p5x h LEU 73 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2p5x h LEU 73 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2p5x h LEU 73 CO -0.02 0.12 0.09 0.22 0.09 0.00 0.00 178.44 178.94 2p5x h TYR 74 N 0.14 0.21 -0.68 1.13 3.20 -1.23 -1.84 116.97 117.89 2p5x h TYR 74 Ca 0.04 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.03 2p5x h TYR 74 Cb 0.00 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2p5x h TYR 74 CO -0.06 0.19 0.46 1.96 -1.64 0.00 0.00 178.16 179.07 2p5x h GLN 75 N 0.16 0.43 0.42 1.82 1.08 -0.63 0.10 115.11 118.49 2p5x h GLN 75 Ca 0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2p5x h GLN 75 Cb 0.05 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2p5x h GLN 75 CO -0.01 0.28 -0.20 -0.22 -0.95 0.00 0.00 178.83 177.73 2p5x h LYS 76 N 0.44 -0.55 0.00 1.46 3.64 -0.51 -3.39 116.57 117.67 2p5x h LYS 76 Ca 0.32 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2p5x h LYS 76 Cb 0.67 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2p5x h LYS 76 CO -0.10 -0.25 -0.00 -0.40 -2.27 0.00 0.00 179.45 176.43 2p5x n ASP 77 N -5.18 1.93 -1.81 4.20 5.68 -1.05 -5.00 116.55 115.33 2p5x n ASP 77 Ca -0.09 -2.06 -0.18 0.00 -0.50 0.00 0.00 54.79 51.96 2p5x n ASP 77 Cb 0.28 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 2p5x n ASP 77 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2p5x n LEU 78 N -0.57 -1.64 -4.31 -2.12 4.77 0.35 -4.99 117.00 108.49 2p5x n LEU 78 Ca 0.02 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 2p5x n LEU 78 Cb 0.30 -2.56 -0.14 0.00 -2.33 0.00 0.00 43.42 38.69 2p5x n LEU 78 CO 0.00 -0.43 -0.40 -0.60 -1.33 0.00 0.00 177.39 174.62 2p5x s ARG 79 N -4.43 3.36 -0.29 3.23 3.52 -1.25 -5.05 118.95 118.04 2p5x s ARG 79 Ca 0.00 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 2p5x s ARG 79 Cb 0.00 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2p5x s ARG 79 CO 0.00 -0.14 1.29 0.00 -0.81 0.00 0.00 175.30 175.64 2p5x s ALA 80 N 1.29 3.40 0.30 6.12 0.00 -1.26 -3.71 121.76 127.91 2p5x s ALA 80 Ca 0.03 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2p5x s ALA 80 Cb -0.14 -3.75 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 2p5x s ALA 80 CO -0.03 -1.70 1.21 -1.25 0.00 0.00 0.00 175.76 173.99 2p5x s PRO 81 N 4.08 4.50 0.15 0.00 0.04 -1.26 -4.90 135.00 137.60 2p5x s PRO 81 Ca 0.56 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 2p5x s PRO 81 Cb -0.17 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.29 2p5x s PRO 81 CO 0.22 0.01 1.72 -0.44 0.04 0.00 0.00 177.00 178.54 2p5x h ASP 82 N 3.64 -0.08 -3.47 6.66 3.32 -1.73 -3.32 116.42 121.44 2p5x h ASP 82 Ca -0.48 0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.42 2p5x h ASP 82 Cb 1.22 0.11 -0.30 0.00 0.22 0.00 0.00 39.33 40.58 2p5x h ASP 82 CO 0.66 -0.00 -0.54 -0.69 -1.72 0.00 0.00 179.24 176.95 2p5x s VAL 83 N -6.18 -0.04 -0.12 -1.35 1.01 -0.92 -1.79 120.40 111.01 2p5x s VAL 83 Ca -0.13 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2p5x s VAL 83 Cb 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2p5x s VAL 83 CO 0.70 0.05 -0.16 -0.69 0.00 0.00 0.00 175.10 175.00 2p5x s VAL 84 N 1.00 1.63 -0.23 2.92 1.01 0.48 -0.71 120.40 126.50 2p5x s VAL 84 Ca -0.07 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2p5x s VAL 84 Cb -0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2p5x s VAL 84 CO -0.06 0.47 0.09 -0.63 0.00 0.00 0.00 175.10 174.97 2p5x s ILE 85 N 1.04 4.69 0.20 2.22 1.01 0.78 -0.30 121.20 130.84 2p5x s ILE 85 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2p5x s ILE 85 Cb -0.15 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2p5x s ILE 85 CO -0.03 0.36 -0.05 -0.83 0.00 0.00 0.00 174.94 174.38 2p5x s GLY 86 N 1.24 1.72 -0.03 6.18 0.00 -0.37 -0.59 107.32 115.46 2p5x s GLY 86 Ca 0.05 -1.48 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 2p5x s GLY 86 CO 0.04 -1.51 0.32 0.00 0.00 0.00 0.00 173.10 171.95 2p5x s ALA 87 N -1.83 -0.80 -0.15 3.20 0.00 -1.26 -0.85 121.76 120.06 2p5x s ALA 87 Ca 0.27 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 2p5x s ALA 87 Cb -0.08 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.08 2p5x s ALA 87 CO 0.17 -0.25 0.31 0.34 0.00 0.00 0.00 175.76 176.33 2p5x s ASP 88 N -1.08 0.15 -0.19 0.00 2.15 -0.45 -4.65 116.67 112.61 2p5x s ASP 88 Ca -0.11 0.71 -0.06 0.00 0.43 0.00 0.00 52.55 53.52 2p5x s ASP 88 Cb -0.05 0.88 -0.03 0.00 -0.30 0.00 0.00 42.92 43.42 2p5x s ASP 88 CO 0.04 -0.23 0.02 -0.89 -0.17 0.00 0.00 175.17 173.93 2p5x s THR 89 N 2.43 4.20 0.20 1.71 2.01 -1.26 -0.70 115.64 124.23 2p5x s THR 89 Ca -0.00 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.81 2p5x s THR 89 Cb -0.12 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2p5x s THR 89 CO -0.10 0.44 -0.07 0.27 -0.69 0.00 0.00 174.62 174.48 2p5x s ILE 90 N 0.75 1.27 -0.02 1.82 -4.36 0.22 -4.74 121.20 116.15 2p5x s ILE 90 Ca 0.01 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 2p5x s ILE 90 Cb -0.14 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 2p5x s ILE 90 CO 0.02 -0.52 -0.16 -0.69 0.24 0.00 0.00 174.94 173.83 2p5x s VAL 91 N -3.27 2.88 -0.02 8.37 1.01 0.22 -1.01 120.40 128.58 2p5x s VAL 91 Ca 0.23 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2p5x s VAL 91 Cb 0.03 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2p5x s VAL 91 CO 0.06 0.52 -0.18 0.42 0.00 0.00 0.00 175.10 175.91 2p5x s THR 92 N -0.78 1.47 -0.09 3.92 -4.23 -0.42 0.56 115.64 116.08 2p5x s THR 92 Ca 0.12 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.79 2p5x s THR 92 Cb -0.11 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.53 2p5x s THR 92 CO 0.02 0.42 0.23 0.54 -0.54 0.00 0.00 174.62 175.28 2p5x s VAL 93 N -0.28 -0.02 -1.83 2.29 0.11 -0.56 -1.72 120.40 118.39 2p5x s VAL 93 Ca 0.03 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 2p5x s VAL 93 Cb -0.09 -0.33 0.23 0.00 -1.53 0.00 0.00 36.38 34.65 2p5x s VAL 93 CO 0.00 0.03 0.61 0.61 -3.33 0.00 0.00 175.10 173.02 2p5x n GLY 94 N 3.51 -0.41 2.64 6.54 0.00 -1.26 -0.94 105.19 115.27 2p5x n GLY 94 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2p5x n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p5x n GLY 95 N -1.09 1.78 3.85 -0.02 0.00 -1.26 -5.03 105.19 103.43 2p5x n GLY 95 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2p5x n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p5x s LEU 96 N 0.00 4.40 -0.13 0.99 2.96 -0.11 -5.08 118.68 121.70 2p5x s LEU 96 Ca 0.00 0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 54.32 2p5x s LEU 96 Cb 0.00 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2p5x s LEU 96 CO 0.00 0.35 0.54 -0.63 -1.32 0.00 0.00 176.35 175.29 2p5x s ILE 97 N -0.88 5.14 -0.10 6.68 1.01 -1.26 -1.50 121.20 130.29 2p5x s ILE 97 Ca 0.17 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.90 2p5x s ILE 97 Cb -0.13 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 2p5x s ILE 97 CO 0.06 0.27 -0.16 -0.76 0.00 0.00 0.00 174.94 174.36 2p5x s LEU 98 N 0.92 2.60 0.00 2.97 1.43 0.19 -4.98 118.68 121.81 2p5x s LEU 98 Ca 0.28 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2p5x s LEU 98 Cb -0.16 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2p5x s LEU 98 CO 0.12 0.22 0.00 -0.62 0.23 0.00 0.00 176.35 176.30 2p5x n GLU 99 N 3.14 3.68 -2.70 1.70 1.02 -1.26 -0.61 120.64 125.61 2p5x n GLU 99 Ca -0.18 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.57 2p5x n GLU 99 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.89 2p5x n GLU 99 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2p5x s LYS 100 N 3.37 4.71 0.34 3.49 1.02 -1.26 -1.13 119.74 130.27 2p5x s LYS 100 Ca 0.00 1.51 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 2p5x s LYS 100 Cb 0.00 -3.10 -0.10 0.00 -0.52 0.00 0.00 37.83 34.11 2p5x s LYS 100 CO 0.00 0.36 1.38 -2.14 -0.92 0.00 0.00 175.35 174.03 2p5x s PRO 101 N -1.53 4.27 0.11 -1.68 0.02 -1.26 -4.93 135.00 130.00 2p5x s PRO 101 Ca 0.45 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.70 2p5x s PRO 101 Cb -0.25 -3.04 -0.12 0.00 0.02 0.00 0.00 34.50 31.10 2p5x s PRO 101 CO 0.31 -0.32 1.32 -0.39 -0.33 0.00 0.00 177.00 177.58 2p5x h VAL 102 N 3.08 1.30 -3.71 3.83 -1.51 -1.92 -3.48 116.25 113.84 2p5x h VAL 102 Ca -0.49 -2.04 -0.17 0.00 -1.23 0.00 0.00 66.70 62.76 2p5x h VAL 102 Cb 1.23 2.06 -0.05 0.00 -2.13 0.00 0.00 31.29 32.39 2p5x h VAL 102 CO 0.67 0.64 -0.03 1.51 -1.23 0.00 0.00 177.57 179.13 2p5x s ASP 103 N -7.11 0.53 0.39 4.19 1.47 -1.26 -5.03 116.67 109.84 2p5x s ASP 103 Ca -0.09 -1.32 0.08 0.00 1.18 0.00 0.00 52.55 52.40 2p5x s ASP 103 Cb 0.09 0.72 0.84 0.00 -0.34 0.00 0.00 42.92 44.23 2p5x s ASP 103 CO 0.90 -1.41 1.97 0.11 0.68 0.00 0.00 175.17 177.41 2p5x h LYS 104 N 2.08 0.61 -0.28 2.11 6.56 -1.95 -1.33 116.57 124.38 2p5x h LYS 104 Ca -0.29 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.09 2p5x h LYS 104 Cb 1.24 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2p5x h LYS 104 CO 0.39 0.41 -0.50 1.96 -2.06 0.00 0.00 179.45 179.65 2p5x h GLN 105 N 0.63 0.78 -0.40 3.15 7.50 -1.99 -1.83 115.11 122.95 2p5x h GLN 105 Ca 0.30 -0.46 0.03 0.00 0.50 0.00 0.00 58.65 59.01 2p5x h GLN 105 Cb 0.34 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 2p5x h GLN 105 CO -0.10 1.09 0.19 0.22 -1.50 0.00 0.00 178.83 178.74 2p5x h ASP 106 N 0.61 0.28 -0.60 1.46 3.58 -1.80 -2.54 116.42 117.41 2p5x h ASP 106 Ca 0.03 0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.59 2p5x h ASP 106 Cb 1.08 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 42.02 2p5x h ASP 106 CO 0.11 0.20 0.21 0.00 -2.88 0.00 0.00 179.24 176.88 2p5x h ALA 107 N 1.21 0.77 -0.44 -0.78 0.00 -0.91 -1.35 119.26 117.75 2p5x h ALA 107 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2p5x h ALA 107 Cb 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2p5x h ALA 107 CO -0.12 -0.21 0.22 -0.92 0.00 0.00 0.00 179.25 178.22 2p5x h TYR 108 N 0.39 0.63 -0.80 0.00 3.20 -1.14 -1.35 116.97 117.91 2p5x h TYR 108 Ca 0.30 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2p5x h TYR 108 Cb 0.38 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2p5x h TYR 108 CO -0.18 0.51 0.49 0.00 -1.64 0.00 0.00 178.16 177.35 2p5x h ARG 109 N 0.58 1.07 -0.11 1.82 3.08 -1.01 -0.61 114.38 119.20 2p5x h ARG 109 Ca 0.15 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2p5x h ARG 109 Cb 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2p5x h ARG 109 CO -0.02 0.74 0.05 0.52 -1.07 0.00 0.00 179.97 180.19 2p5x h MET 110 N 1.09 0.16 -0.42 0.04 2.86 -0.98 -2.49 114.93 115.19 2p5x h MET 110 Ca 0.29 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.80 2p5x h MET 110 Cb -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2p5x h MET 110 CO -0.06 0.26 -0.13 -0.07 1.06 0.00 0.00 176.91 177.98 2p5x h LEU 111 N 0.03 0.76 -0.72 1.22 3.38 -0.96 -1.51 115.31 117.50 2p5x h LEU 111 Ca 0.04 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2p5x h LEU 111 Cb 0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2p5x h LEU 111 CO -0.00 0.90 0.46 0.28 0.09 0.00 0.00 178.44 180.17 2p5x h SER 112 N 0.69 0.76 -0.85 -0.43 0.02 -1.10 0.12 113.55 112.76 2p5x h SER 112 Ca 0.11 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2p5x h SER 112 Cb 0.61 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 2p5x h SER 112 CO 0.04 0.53 0.56 -0.09 -1.14 0.00 0.00 176.83 176.73 2p5x h ARG 113 N 0.91 1.10 0.00 3.45 9.65 -1.07 -3.06 114.38 125.35 2p5x h ARG 113 Ca 0.28 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 59.02 2p5x h ARG 113 Cb -0.01 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.31 2p5x h ARG 113 CO -0.10 0.72 -0.50 -0.07 2.80 0.00 0.00 179.97 182.83 2p5x h LEU 114 N 1.13 0.00 -9.46 3.80 3.38 -0.65 -3.46 115.31 110.04 2p5x h LEU 114 Ca 0.32 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.68 2p5x h LEU 114 Cb -0.09 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.73 2p5x h LEU 114 CO -0.08 0.35 0.56 -0.24 0.09 0.00 0.00 178.44 179.12 2p5x n SER 115 N -3.12 2.36 -0.52 -0.43 2.88 0.35 -2.39 113.62 112.74 2p5x n SER 115 Ca 0.01 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.61 2p5x n SER 115 Cb 0.68 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.77 2p5x n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2p5x n GLY 116 N 2.50 0.79 3.38 0.46 0.00 -0.12 -4.91 105.19 107.29 2p5x n GLY 116 Ca 0.15 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2p5x n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p5x s ARG 117 N -2.25 1.43 -0.05 1.61 0.52 -1.01 -4.90 118.95 114.31 2p5x s ARG 117 Ca 0.00 -1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 53.38 2p5x s ARG 117 Cb 0.00 -1.22 -0.05 0.00 0.52 0.00 0.00 34.95 34.20 2p5x s ARG 117 CO 0.00 0.17 0.46 -2.00 0.02 0.00 0.00 175.30 173.95 2p5x s GLU 118 N -3.65 4.16 0.32 3.54 2.12 -1.26 -1.51 118.70 122.42 2p5x s GLU 118 Ca 0.25 0.47 0.03 0.00 0.36 0.00 0.00 54.97 56.08 2p5x s GLU 118 Cb -0.00 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 2p5x s GLU 118 CO 0.09 0.43 0.08 -3.38 -0.54 0.00 0.00 175.26 171.94 2p5x s HIS 119 N -0.27 1.84 0.02 5.30 -3.43 0.51 -4.84 115.29 114.42 2p5x s HIS 119 Ca 0.25 -1.06 0.03 0.00 -0.80 0.00 0.00 55.06 53.47 2p5x s HIS 119 Cb -0.16 -1.17 -0.04 0.00 -1.43 0.00 0.00 32.58 29.78 2p5x s HIS 119 CO 0.13 -0.12 -0.01 -1.12 -2.00 0.00 0.00 174.74 171.61 2p5x s SER 120 N -3.46 5.03 -0.15 7.38 0.01 -0.70 -1.06 113.70 120.74 2p5x s SER 120 Ca 0.35 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 2p5x s SER 120 Cb 0.08 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 2p5x s SER 120 CO 0.15 0.25 -0.12 -0.69 0.41 0.00 0.00 173.24 173.24 2p5x s VAL 121 N -1.13 3.03 -0.11 3.43 1.01 0.59 -1.30 120.40 125.93 2p5x s VAL 121 Ca 0.21 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2p5x s VAL 121 Cb -0.11 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2p5x s VAL 121 CO 0.12 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.18 2p5x s PHE 122 N 0.68 2.68 -0.26 5.22 0.08 -0.18 -1.40 117.98 124.79 2p5x s PHE 122 Ca -0.06 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.17 2p5x s PHE 122 Cb -0.15 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2p5x s PHE 122 CO 0.02 -0.27 -0.00 0.99 -0.10 0.00 0.00 175.22 175.86 2p5x s THR 123 N 0.26 3.41 0.08 0.64 2.01 -0.56 -0.61 115.64 120.88 2p5x s THR 123 Ca -0.12 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 60.88 2p5x s THR 123 Cb -0.16 -2.71 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 2p5x s THR 123 CO 0.07 0.20 0.65 -0.83 -0.69 0.00 0.00 174.62 174.02 2p5x s GLY 124 N 1.43 2.75 -0.02 4.40 0.00 0.13 -1.57 107.32 114.43 2p5x s GLY 124 Ca 0.02 0.15 0.04 0.00 0.00 0.00 0.00 44.72 44.94 2p5x s GLY 124 CO -0.01 0.70 -0.14 0.14 0.00 0.00 0.00 173.10 173.79 2p5x s VAL 125 N -0.83 1.14 -0.16 1.40 1.01 0.16 -1.33 120.40 121.78 2p5x s VAL 125 Ca 0.32 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2p5x s VAL 125 Cb -0.20 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2p5x s VAL 125 CO 0.21 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.46 2p5x s ALA 126 N -0.11 2.38 -0.35 5.51 0.00 -0.03 -1.48 121.76 127.67 2p5x s ALA 126 Ca 0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 2p5x s ALA 126 Cb -0.08 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2p5x s ALA 126 CO 0.00 -0.12 0.22 0.42 0.00 0.00 0.00 175.76 176.28 2p5x s ILE 127 N 0.96 4.98 -0.30 0.00 1.01 0.75 -1.24 121.20 127.37 2p5x s ILE 127 Ca -0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 2p5x s ILE 127 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2p5x s ILE 127 CO -0.04 -0.06 0.09 -0.69 0.00 0.00 0.00 174.94 174.24 2p5x s VAL 128 N 1.66 4.05 -0.13 2.92 1.01 0.59 -0.76 120.40 129.75 2p5x s VAL 128 Ca 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2p5x s VAL 128 Cb -0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2p5x s VAL 128 CO 0.09 0.07 0.61 -1.00 0.00 0.00 0.00 175.10 174.86 2p5x s HIS 129 N 1.51 3.48 0.05 5.22 3.76 0.58 -0.39 115.29 129.50 2p5x s HIS 129 Ca 0.03 1.02 0.09 0.00 -0.15 0.00 0.00 55.06 56.05 2p5x s HIS 129 Cb -0.17 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.76 2p5x s HIS 129 CO 0.03 0.01 -0.24 0.00 -0.85 0.00 0.00 174.74 173.69 2p5x s SER 131 N -1.26 0.22 -0.20 0.00 1.04 -0.53 -4.54 113.70 108.43 2p5x s SER 131 Ca 0.10 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 2p5x s SER 131 Cb -0.10 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2p5x s SER 131 CO 0.02 -0.67 0.06 -0.55 0.98 0.00 0.00 173.24 173.09 2p5x s SER 132 N -2.77 5.44 -0.01 7.02 0.15 -1.26 0.17 113.70 122.44 2p5x s SER 132 Ca 0.04 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 2p5x s SER 132 Cb 0.05 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2p5x s SER 132 CO -0.10 0.10 0.03 -1.59 1.20 0.00 0.00 173.24 172.89 2p5x s LYS 133 N 0.79 0.06 -1.37 5.44 -2.85 -0.55 -4.94 119.74 116.31 2p5x s LYS 133 Ca 0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 55.97 54.96 2p5x s LYS 133 Cb -0.14 0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.69 2p5x s LYS 133 CO 0.02 -0.01 0.85 -0.25 0.10 0.00 0.00 175.35 176.06 2p5x n ASP 134 N 2.96 -2.73 -1.09 0.03 8.00 -1.26 -2.45 116.55 120.01 2p5x n ASP 134 Ca -0.13 -0.77 -0.12 0.00 0.71 0.00 0.00 54.79 54.48 2p5x n ASP 134 Cb 0.59 -4.16 -0.04 0.00 -0.02 0.00 0.00 41.12 37.49 2p5x n ASP 134 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2p5x n HIS 135 N -4.44 -0.21 -4.02 1.24 8.25 -1.26 -4.99 115.22 109.78 2p5x n HIS 135 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 2p5x n HIS 135 Cb 0.62 -2.41 -0.09 0.00 1.12 0.00 0.00 29.99 29.24 2p5x n HIS 135 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2p5x s GLN 136 N -3.59 0.78 -0.33 -0.41 -2.07 -1.03 -5.13 119.66 107.88 2p5x s GLN 136 Ca 0.00 -1.18 -0.21 0.00 -1.82 0.00 0.00 55.36 52.15 2p5x s GLN 136 Cb 0.00 0.27 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2p5x s GLN 136 CO 0.00 -0.21 0.69 -1.17 -1.32 0.00 0.00 175.29 173.28 2p5x s LEU 137 N -2.93 4.16 -0.07 2.60 2.96 -1.26 -1.49 118.68 122.65 2p5x s LEU 137 Ca 0.10 0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 54.19 2p5x s LEU 137 Cb 0.07 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2p5x s LEU 137 CO -0.07 -0.58 0.62 -1.81 -1.32 0.00 0.00 176.35 173.19 2p5x s ASP 138 N 1.71 6.91 -0.04 3.68 1.01 0.13 -4.97 116.67 125.10 2p5x s ASP 138 Ca 0.28 1.09 0.07 0.00 0.71 0.00 0.00 52.55 54.69 2p5x s ASP 138 Cb -0.14 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2p5x s ASP 138 CO 0.14 -0.04 -0.25 0.42 0.21 0.00 0.00 175.17 175.64 2p5x s THR 139 N 0.57 2.15 -0.16 -1.27 -4.23 -1.26 -1.46 115.64 109.98 2p5x s THR 139 Ca 0.33 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2p5x s THR 139 Cb -0.17 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2p5x s THR 139 CO 0.16 0.58 -0.16 -0.13 -0.54 0.00 0.00 174.62 174.52 2p5x s ARG 140 N -0.46 2.55 -0.17 3.99 0.52 0.29 -4.98 118.95 120.69 2p5x s ARG 140 Ca 0.05 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 2p5x s ARG 140 Cb -0.11 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2p5x s ARG 140 CO 0.01 -0.23 0.01 0.08 0.02 0.00 0.00 175.30 175.18 2p5x s VAL 141 N 1.41 4.25 -0.14 3.52 1.01 -1.26 -0.31 120.40 128.89 2p5x s VAL 141 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2p5x s VAL 141 Cb -0.13 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2p5x s VAL 141 CO -0.12 0.47 -0.15 -0.55 0.00 0.00 0.00 175.10 174.76 2p5x s SER 142 N 0.43 3.79 -0.04 3.32 0.15 0.06 -4.98 113.70 116.43 2p5x s SER 142 Ca -0.01 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.30 2p5x s SER 142 Cb -0.14 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2p5x s SER 142 CO 0.02 0.13 -0.22 -1.61 1.20 0.00 0.00 173.24 172.77 2p5x s GLU 143 N 0.52 2.11 0.21 5.44 2.02 -1.26 -0.18 118.70 127.57 2p5x s GLU 143 Ca -0.10 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 2p5x s GLU 143 Cb -0.16 -1.85 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 2p5x s GLU 143 CO 0.04 0.35 0.41 -0.59 0.02 0.00 0.00 175.26 175.50 2p5x s PHE 144 N -0.17 0.34 0.14 1.61 -0.12 -0.55 -5.01 117.98 114.21 2p5x s PHE 144 Ca -0.01 -0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 56.16 2p5x s PHE 144 Cb -0.12 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2p5x s PHE 144 CO 0.02 -0.89 0.09 1.52 -0.05 0.00 0.00 175.22 175.92 2p5x s TYR 145 N -3.99 0.79 -0.01 3.49 -0.85 -1.26 0.35 117.35 115.88 2p5x s TYR 145 Ca 0.20 -1.17 0.03 0.00 -0.52 0.00 0.00 57.07 55.61 2p5x s TYR 145 Cb 0.01 -0.42 -0.01 0.00 0.38 0.00 0.00 41.96 41.92 2p5x s TYR 145 CO 0.05 -0.55 -0.09 -2.00 -1.52 0.00 0.00 175.55 171.44 2p5x s GLU 146 N -4.04 0.69 -0.11 -3.49 2.56 -0.61 -5.00 118.70 108.72 2p5x s GLU 146 Ca 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 54.97 54.90 2p5x s GLU 146 Cb 0.07 -0.67 -0.02 0.00 2.00 0.00 0.00 34.13 35.51 2p5x s GLU 146 CO 0.02 0.18 -0.14 -2.00 -0.56 0.00 0.00 175.26 172.76 2p5x s GLU 147 N -0.23 3.13 -0.04 4.30 2.12 -1.26 -1.50 118.70 125.22 2p5x s GLU 147 Ca 0.03 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.70 2p5x s GLU 147 Cb -0.03 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2p5x s GLU 147 CO -0.00 0.32 -0.14 0.99 -0.54 0.00 0.00 175.26 175.90 2p5x s THR 148 N 0.05 1.16 -0.03 -1.70 2.01 -0.50 -4.60 115.64 112.04 2p5x s THR 148 Ca -0.05 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 2p5x s THR 148 Cb -0.15 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2p5x s THR 148 CO 0.04 0.35 0.39 -0.54 -0.69 0.00 0.00 174.62 174.17 2p5x s LYS 149 N 0.21 3.93 -0.02 4.92 1.02 -0.68 -0.30 119.74 128.83 2p5x s LYS 149 Ca -0.06 0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.32 2p5x s LYS 149 Cb -0.11 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2p5x s LYS 149 CO 0.02 0.63 -0.13 0.08 -0.92 0.00 0.00 175.35 175.04 2p5x s VAL 150 N -0.85 1.02 -0.17 3.17 1.01 -0.23 0.13 120.40 124.48 2p5x s VAL 150 Ca 0.23 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2p5x s VAL 150 Cb -0.16 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2p5x s VAL 150 CO 0.12 0.30 -0.09 -0.75 0.00 0.00 0.00 175.10 174.68 2p5x s LYS 151 N -0.10 3.38 0.05 2.72 2.47 0.21 -0.36 119.74 128.11 2p5x s LYS 151 Ca 0.01 -0.65 -0.15 0.00 -1.56 0.00 0.00 55.97 53.62 2p5x s LYS 151 Cb -0.07 -2.81 -0.06 0.00 -1.46 0.00 0.00 37.83 33.43 2p5x s LYS 151 CO 0.00 0.02 0.47 -0.06 0.16 0.00 0.00 175.35 175.94 2p5x s PHE 152 N 0.88 3.71 1.10 4.03 0.40 -0.57 0.12 117.98 127.66 2p5x s PHE 152 Ca -0.02 1.06 -0.18 0.00 -0.60 0.00 0.00 56.93 57.18 2p5x s PHE 152 Cb -0.15 -2.34 0.26 0.00 0.51 0.00 0.00 43.02 41.30 2p5x s PHE 152 CO 0.00 0.58 1.24 -1.54 0.70 0.00 0.00 175.22 176.20 2p5x s SER 153 N -1.28 1.85 -0.47 1.36 1.04 -0.74 -3.10 113.70 112.36 2p5x s SER 153 Ca 0.29 0.34 -0.27 0.00 0.48 0.00 0.00 55.95 56.78 2p5x s SER 153 Cb -0.17 -0.39 0.03 0.00 0.10 0.00 0.00 66.02 65.59 2p5x s SER 153 CO 0.16 -3.53 1.03 -1.61 0.98 0.00 0.00 173.24 170.28 2p5x s GLU 154 N -5.74 3.62 -0.00 4.02 2.02 -1.26 -0.94 118.70 120.41 2p5x s GLU 154 Ca 0.74 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.88 2p5x s GLU 154 Cb -0.05 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 2p5x s GLU 154 CO 0.55 -1.30 0.56 -0.51 0.02 0.00 0.00 175.26 174.58 2p5x s LEU 155 N 4.10 4.43 0.50 1.80 1.43 -1.26 -4.93 118.68 124.74 2p5x s LEU 155 Ca 0.42 1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2p5x s LEU 155 Cb -0.09 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2p5x s LEU 155 CO 0.29 0.14 0.82 -0.94 0.23 0.00 0.00 176.35 176.90 2p5x s SER 156 N -0.35 6.27 0.30 2.29 1.04 -1.26 -4.91 113.70 117.08 2p5x s SER 156 Ca 0.30 1.02 0.05 0.00 0.48 0.00 0.00 55.95 57.79 2p5x s SER 156 Cb -0.18 -2.29 0.71 0.00 0.10 0.00 0.00 66.02 64.36 2p5x s SER 156 CO 0.17 -0.62 1.78 -0.08 0.98 0.00 0.00 173.24 175.47 2p5x h GLU 157 N 0.19 0.74 -0.16 4.02 4.57 -1.99 -1.15 114.58 120.80 2p5x h GLU 157 Ca -0.46 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 2p5x h GLU 157 Cb 1.20 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 2p5x h GLU 157 CO 0.62 0.49 0.01 1.49 -1.18 0.00 0.00 179.01 180.44 2p5x h GLU 158 N 0.76 0.28 -0.22 1.92 4.81 -2.00 -2.33 114.58 117.81 2p5x h GLU 158 Ca 0.57 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 2p5x h GLU 158 Cb 0.86 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2p5x h GLU 158 CO -0.38 0.48 0.03 1.25 -0.73 0.00 0.00 179.01 179.67 2p5x h LEU 159 N 0.04 0.35 -0.45 1.64 5.85 -1.90 -1.32 115.31 119.52 2p5x h LEU 159 Ca 0.05 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2p5x h LEU 159 Cb 0.35 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2p5x h LEU 159 CO 0.01 0.53 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.14 2p5x h LEU 160 N 0.16 -1.40 -0.72 2.25 3.38 -1.19 0.12 115.31 117.90 2p5x h LEU 160 Ca 0.07 0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 2p5x h LEU 160 Cb 0.33 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2p5x h LEU 160 CO 0.00 -0.35 -0.25 -0.50 0.09 0.00 0.00 178.44 177.43 2p5x h TRP 161 N -0.29 0.81 -0.53 1.13 4.06 -1.38 -1.26 115.95 118.49 2p5x h TRP 161 Ca 0.15 -0.19 0.09 0.00 2.06 0.00 0.00 58.89 61.01 2p5x h TRP 161 Cb 0.57 -0.19 -0.11 0.00 -1.00 0.00 0.00 29.16 28.44 2p5x h TRP 161 CO -0.64 0.89 -0.36 0.93 -3.56 0.00 0.00 178.44 175.71 2p5x h GLU 162 N 0.62 -0.20 -0.47 0.49 4.39 -0.51 -0.38 114.58 118.52 2p5x h GLU 162 Ca 0.08 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 2p5x h GLU 162 Cb 0.75 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2p5x h GLU 162 CO 0.06 -0.13 -0.22 -0.92 -1.16 0.00 0.00 179.01 176.63 2p5x h TYR 163 N -0.21 1.13 -0.48 4.33 3.20 -0.41 -2.91 116.97 121.62 2p5x h TYR 163 Ca 0.20 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2p5x h TYR 163 Cb 0.55 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2p5x h TYR 163 CO -0.62 1.10 0.32 0.28 -1.64 0.00 0.00 178.16 177.59 2p5x h VAL 164 N 0.83 1.13 0.00 1.81 2.07 -0.99 -2.93 116.25 118.17 2p5x h VAL 164 Ca 0.11 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2p5x h VAL 164 Cb 0.80 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2p5x h VAL 164 CO 0.07 0.12 -0.26 0.45 0.02 0.00 0.00 177.57 177.97 2p5x h HIS 165 N 0.65 0.00 -0.20 1.57 3.86 -1.03 -2.25 115.15 117.75 2p5x h HIS 165 Ca 0.18 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 2p5x h HIS 165 Cb -0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2p5x h HIS 165 CO -0.04 0.26 0.16 0.66 0.86 0.00 0.00 177.93 179.83 2p5x h SER 166 N 0.00 0.00 0.00 2.45 4.64 -1.31 -3.46 113.55 115.86 2p5x h SER 166 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p5x h SER 166 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2p5x h SER 166 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2p5x n GLY 167 N -1.54 1.58 0.37 -0.77 0.00 -0.85 -4.95 105.19 99.03 2p5x n GLY 167 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2p5x n GLY 167 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2p5x h GLU 168 N 3.03 0.95 -0.79 1.61 5.08 -1.81 -2.56 114.58 120.08 2p5x h GLU 168 Ca 0.00 -0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.53 2p5x h GLU 168 Cb 0.00 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 2p5x h GLU 168 CO 0.00 0.63 0.57 -1.35 -1.00 0.00 0.00 179.01 177.85 2p5x h PRO 169 N 0.98 0.00 -0.75 2.33 0.11 -1.78 -3.37 132.00 129.51 2p5x h PRO 169 Ca 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 2p5x h PRO 169 Cb 0.42 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 2p5x h PRO 169 CO -0.22 0.00 0.37 0.52 -0.21 0.00 0.00 178.00 178.46 2p5x h MET 170 N 0.00 1.07 -0.61 1.05 2.86 -1.75 -2.76 114.93 114.78 2p5x h MET 170 Ca 0.38 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.72 2p5x h MET 170 Cb 1.51 -0.20 -0.09 0.00 0.06 0.00 0.00 31.60 32.88 2p5x h MET 170 CO -0.00 0.82 0.17 -0.40 1.06 0.00 0.00 176.91 178.55 2p5x n ASP 171 N -4.33 4.56 -4.09 1.22 5.68 -1.26 -4.36 116.55 113.97 2p5x n ASP 171 Ca 0.07 -3.22 -0.24 0.00 -0.50 0.00 0.00 54.79 50.91 2p5x n ASP 171 Cb 0.13 -0.70 -0.16 0.00 -1.14 0.00 0.00 41.12 39.26 2p5x n ASP 171 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2p5x s LYS 172 N -2.97 1.40 0.15 0.11 1.02 -1.04 -5.04 119.74 113.36 2p5x s LYS 172 Ca 0.52 -0.49 -0.34 0.00 0.02 0.00 0.00 55.97 55.68 2p5x s LYS 172 Cb 0.42 -1.26 -0.14 0.00 -0.52 0.00 0.00 37.83 36.33 2p5x s LYS 172 CO 0.12 0.22 1.61 0.00 -0.92 0.00 0.00 175.35 176.37 2p5x n ALA 173 N 3.11 1.41 -0.75 5.17 0.00 -1.26 -1.41 120.51 126.78 2p5x n ALA 173 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2p5x n ALA 173 Cb 0.54 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2p5x n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p5x n GLY 174 N 3.51 0.58 2.02 0.00 0.00 -0.28 -3.93 105.19 107.09 2p5x n GLY 174 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2p5x n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p5x n GLY 175 N -2.00 0.39 3.50 -0.02 0.00 -0.50 -4.47 105.19 102.09 2p5x n GLY 175 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 2p5x n GLY 175 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2p5x s TYR 176 N -2.60 -0.04 0.09 1.61 -0.85 -1.25 -4.10 117.35 110.21 2p5x s TYR 176 Ca 0.05 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 2p5x s TYR 176 Cb -0.02 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 2p5x s TYR 176 CO 0.07 -0.90 -0.09 0.20 -1.52 0.00 0.00 175.55 173.31 2p5x s GLY 177 N -2.89 0.80 0.00 5.49 0.00 -1.26 -4.64 107.32 104.82 2p5x s GLY 177 Ca 0.10 -1.21 0.24 0.00 0.00 0.00 0.00 44.72 43.85 2p5x s GLY 177 CO -0.02 -1.29 1.64 0.29 0.00 0.00 0.00 173.10 173.72 2p5x n ILE 178 N 0.44 0.12 -0.09 0.90 -5.35 -1.26 -3.89 119.36 110.23 2p5x n ILE 178 Ca -0.15 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2p5x n ILE 178 Cb 0.58 0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 38.73 2p5x n ILE 178 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2p5x n GLN 179 N 0.19 1.08 0.00 6.28 6.02 -1.26 -4.35 117.38 125.34 2p5x n GLN 179 Ca 0.17 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2p5x n GLN 179 Cb 0.32 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2p5x n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2p5x n ALA 180 N -2.77 0.00 1.36 -1.58 0.00 -1.26 -4.82 120.51 111.43 2p5x n ALA 180 Ca -0.30 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.28 2p5x n ALA 180 Cb 0.97 0.00 0.58 0.00 0.00 0.00 0.00 19.45 21.00 2p5x n ALA 180 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2p5x n LEU 181 N 0.00 0.49 0.30 0.00 -0.00 -1.26 -2.46 117.00 114.06 2p5x n LEU 181 Ca 0.00 0.01 0.20 0.00 -0.00 0.00 0.00 56.01 56.22 2p5x n LEU 181 Cb 0.00 -0.20 1.03 0.00 -0.00 0.00 0.00 43.42 44.26 2p5x n LEU 181 CO 0.00 0.09 1.10 1.23 -0.00 0.00 0.00 177.39 179.81 2p5x h GLY 182 N 4.97 0.00 1.77 1.47 0.00 -1.91 -2.60 103.07 106.76 2p5x h GLY 182 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2p5x h GLY 182 CO 0.00 0.00 0.09 -1.33 0.00 0.00 0.00 176.54 175.30 2p5x h GLY 183 N 0.34 0.00 2.00 4.60 0.00 -1.63 -0.76 103.07 107.62 2p5x h GLY 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2p5x h GLY 183 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.21 2p5x h MET 184 N 0.00 0.00 0.01 4.80 2.86 -1.70 -3.28 114.93 117.62 2p5x h MET 184 Ca 0.04 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.31 2p5x h MET 184 Cb 0.22 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 2p5x h MET 184 CO -0.00 0.00 -2.33 1.28 1.06 0.00 0.00 176.91 176.92 2p5x n LEU 185 N -2.45 0.99 -4.64 1.22 4.32 -0.36 -4.90 117.00 111.20 2p5x n LEU 185 Ca 0.03 0.01 -0.39 0.00 -0.02 0.00 0.00 56.01 55.65 2p5x n LEU 185 Cb 0.34 0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 2p5x n LEU 185 CO 0.26 0.62 0.12 -0.69 -1.22 0.00 0.00 177.39 176.48 2p5x s VAL 186 N -2.51 5.16 -0.07 4.08 1.01 -0.81 -1.80 120.40 125.47 2p5x s VAL 186 Ca -0.17 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 2p5x s VAL 186 Cb 0.07 -3.74 -0.30 0.00 0.00 0.00 0.00 36.38 32.42 2p5x s VAL 186 CO 0.77 0.18 0.59 -0.08 0.00 0.00 0.00 175.10 176.56 2p5x h GLU 187 N 7.78 0.36 -2.51 2.72 4.81 -0.63 -3.46 114.58 123.65 2p5x h GLU 187 Ca -0.33 -0.62 0.05 0.00 -0.13 0.00 0.00 59.36 58.33 2p5x h GLU 187 Cb 1.16 0.23 -0.15 0.00 0.63 0.00 0.00 28.75 30.62 2p5x h GLU 187 CO 0.69 1.29 0.37 -1.54 -0.73 0.00 0.00 179.01 179.09 2p5x s SER 188 N -7.23 -0.46 0.10 1.04 1.04 -1.12 -5.00 113.70 102.06 2p5x s SER 188 Ca -0.18 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.39 2p5x s SER 188 Cb 0.06 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 2p5x s SER 188 CO 0.83 -0.74 -0.21 -0.69 0.98 0.00 0.00 173.24 173.41 2p5x s VAL 189 N -3.18 1.75 -0.32 5.02 1.01 -1.26 -0.62 120.40 122.80 2p5x s VAL 189 Ca 0.02 -1.52 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 2p5x s VAL 189 Cb -0.01 -1.58 0.13 0.00 0.00 0.00 0.00 36.38 34.92 2p5x s VAL 189 CO -0.09 -0.02 0.21 -1.00 0.00 0.00 0.00 175.10 174.20 2p5x s HIS 190 N -1.11 0.28 -1.06 5.22 3.76 0.12 -4.98 115.29 117.51 2p5x s HIS 190 Ca 0.07 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2p5x s HIS 190 Cb -0.10 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.81 2p5x s HIS 190 CO 0.04 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 2p5x n GLY 191 N 4.69 0.34 3.64 -2.22 0.00 -1.26 -1.68 105.19 108.69 2p5x n GLY 191 Ca 0.03 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 2p5x n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p5x s ASP 192 N -4.00 6.70 0.18 1.61 2.15 -1.26 -4.92 116.67 117.13 2p5x s ASP 192 Ca 0.00 1.39 0.05 0.00 0.43 0.00 0.00 52.55 54.42 2p5x s ASP 192 Cb 0.00 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2p5x s ASP 192 CO 0.00 -1.03 1.41 2.19 -0.17 0.00 0.00 175.17 177.58 2p5x h PHE 193 N 9.22 0.18 -0.15 -5.34 -5.15 -1.98 -3.23 116.94 110.49 2p5x h PHE 193 Ca -0.27 -0.10 -0.05 0.00 -0.20 0.00 0.00 57.97 57.35 2p5x h PHE 193 Cb 1.11 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 37.25 2p5x h PHE 193 CO 0.87 0.90 -0.12 -0.07 -2.00 0.00 0.00 178.31 177.88 2p5x h LEU 194 N 0.07 0.22 -1.36 2.10 3.38 -1.91 -1.66 115.31 116.14 2p5x h LEU 194 Ca -0.03 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2p5x h LEU 194 Cb 1.45 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 2p5x h LEU 194 CO 0.12 0.38 0.54 -1.13 0.09 0.00 0.00 178.44 178.44 2p5x h ASN 195 N 0.23 0.60 -0.07 -0.43 -1.24 -1.57 -1.24 115.58 111.86 2p5x h ASN 195 Ca 0.05 0.03 -0.17 0.00 0.71 0.00 0.00 56.30 56.92 2p5x h ASN 195 Cb 0.36 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.33 2p5x h ASN 195 CO 0.02 0.32 -0.61 0.58 -1.29 0.00 0.00 177.43 176.45 2p5x h VAL 196 N 0.64 1.36 -0.68 2.57 2.07 -1.41 -3.13 116.25 117.68 2p5x h VAL 196 Ca 0.41 -1.94 0.11 0.00 0.82 0.00 0.00 66.70 66.09 2p5x h VAL 196 Cb 0.67 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2p5x h VAL 196 CO -0.17 0.58 0.45 0.58 0.02 0.00 0.00 177.57 179.04 2p5x h VAL 197 N 0.13 0.88 0.00 2.57 2.07 -1.24 -3.46 116.25 117.20 2p5x h VAL 197 Ca -0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2p5x h VAL 197 Cb 1.27 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2p5x h VAL 197 CO 0.12 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.41 2p5x n GLY 198 N -1.50 0.11 3.09 2.17 0.00 -0.60 -4.67 105.19 103.79 2p5x n GLY 198 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2p5x n GLY 198 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p5x s PHE 199 N 0.00 -0.67 -1.12 1.61 5.36 -0.57 -4.83 117.98 117.75 2p5x s PHE 199 Ca 0.00 1.16 -0.22 0.00 -0.96 0.00 0.00 56.93 56.92 2p5x s PHE 199 Cb 0.00 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.81 2p5x s PHE 199 CO 0.00 -0.50 1.72 -1.25 -1.46 0.00 0.00 175.22 173.73 2p5x s PRO 200 N 2.53 3.34 0.11 10.12 0.04 -1.26 -3.31 135.00 146.56 2p5x s PRO 200 Ca 0.03 -1.28 -0.20 0.00 0.04 0.00 0.00 61.00 59.58 2p5x s PRO 200 Cb -0.13 -5.35 -0.09 0.00 0.04 0.00 0.00 34.50 28.97 2p5x s PRO 200 CO -0.12 -2.76 1.72 1.25 0.04 0.00 0.00 177.00 177.13 2p5x h LEU 201 N 14.53 0.19 -0.85 -3.56 5.85 -1.98 -1.61 115.31 127.88 2p5x h LEU 201 Ca 0.27 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 2p5x h LEU 201 Cb 0.95 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2p5x h LEU 201 CO 1.36 0.19 0.30 0.78 -0.34 0.00 0.00 178.44 180.73 2p5x h ASN 202 N 0.18 1.05 -0.18 1.25 -0.26 -2.00 -1.69 115.58 113.93 2p5x h ASN 202 Ca 0.06 -0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.62 2p5x h ASN 202 Cb 0.03 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 2p5x h ASN 202 CO -0.01 0.94 0.05 -0.74 -1.06 0.00 0.00 177.43 176.60 2p5x h HIS 203 N 1.11 0.30 -0.58 1.19 2.76 -1.92 -1.70 115.15 116.32 2p5x h HIS 203 Ca 0.25 -0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.50 2p5x h HIS 203 Cb 0.22 -0.09 -0.11 0.00 1.55 0.00 0.00 27.41 28.98 2p5x h HIS 203 CO 0.02 0.41 -0.21 0.35 -1.30 0.00 0.00 177.93 177.21 2p5x h PHE 204 N 0.11 -0.50 -0.88 5.26 3.57 -1.13 0.17 116.94 123.54 2p5x h PHE 204 Ca 0.06 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2p5x h PHE 204 Cb 0.26 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2p5x h PHE 204 CO 0.01 -0.30 0.57 0.00 -2.23 0.00 0.00 178.31 176.35 2p5x h LYS 206 N 1.20 1.09 -0.47 0.00 1.57 -0.61 -2.35 116.57 117.00 2p5x h LYS 206 Ca 0.32 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2p5x h LYS 206 Cb -0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 2p5x h LYS 206 CO -0.07 0.86 0.26 0.37 -0.57 0.00 0.00 179.45 180.30 2p5x h GLN 207 N 1.06 0.66 -0.91 3.15 5.75 0.12 -2.04 115.11 122.91 2p5x h GLN 207 Ca 0.26 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 2p5x h GLN 207 Cb 0.14 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.50 2p5x h GLN 207 CO -0.03 0.53 0.59 -0.07 -2.65 0.00 0.00 178.83 177.20 2p5x h LEU 208 N 0.62 0.90 -0.43 -2.39 3.38 -0.95 -1.52 115.31 114.93 2p5x h LEU 208 Ca 0.17 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2p5x h LEU 208 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2p5x h LEU 208 CO -0.03 0.57 0.17 0.58 0.09 0.00 0.00 178.44 179.82 2p5x h VAL 209 N 1.02 1.20 -0.78 1.22 2.07 -1.04 -0.85 116.25 119.09 2p5x h VAL 209 Ca 0.40 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2p5x h VAL 209 Cb 0.23 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2p5x h VAL 209 CO -0.15 0.23 0.48 0.11 0.02 0.00 0.00 177.57 178.26 2p5x h LYS 210 N 0.55 0.87 0.00 1.57 1.57 -0.88 0.17 116.57 120.42 2p5x h LYS 210 Ca 0.14 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 2p5x h LYS 210 Cb 0.20 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2p5x h LYS 210 CO -0.01 0.58 -0.95 -0.07 -0.57 0.00 0.00 179.45 178.43 2p5x h LEU 211 N 0.90 0.01 0.00 2.94 3.38 -1.05 -3.29 115.31 118.20 2p5x h LEU 211 Ca 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2p5x h LEU 211 Cb 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2p5x h LEU 211 CO -0.15 0.95 -0.91 -1.22 0.09 0.00 0.00 178.44 177.20 2p5x n TYR 212 N -3.42 0.00 -1.25 1.13 4.01 -0.35 -5.10 117.16 112.18 2p5x n TYR 212 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2p5x n TYR 212 Cb 0.89 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 2p5x n TYR 212 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06