#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5x n LEU 11 N 0.00 0.00 -2.31 1.47 -0.00 -1.26 -1.90 117.00 113.00 2p5x n LEU 11 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 2p5x n LEU 11 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 2p5x n LEU 11 CO 0.00 0.00 1.39 0.00 -0.00 0.00 0.00 177.39 178.78 2p5x n HIS 12 N 8.53 3.20 -3.78 1.47 -0.00 -1.26 -5.00 115.22 118.39 2p5x n HIS 12 Ca 0.00 -2.94 -0.33 0.00 -0.00 0.00 0.00 57.72 54.45 2p5x n HIS 12 Cb 0.00 -1.38 -0.05 0.00 -0.00 0.00 0.00 29.99 28.56 2p5x n HIS 12 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2p5x s LYS 13 N -3.79 3.55 -0.57 -1.40 1.02 -0.80 -5.06 119.74 112.68 2p5x s LYS 13 Ca 0.64 -0.17 -0.22 0.00 0.02 0.00 0.00 55.97 56.24 2p5x s LYS 13 Cb 0.50 -3.02 0.06 0.00 -0.52 0.00 0.00 37.83 34.85 2p5x s LYS 13 CO -0.00 0.60 0.84 0.50 -0.92 0.00 0.00 175.35 176.37 2p5x s ARG 14 N -2.13 3.19 -0.11 1.68 3.52 -1.26 -4.80 118.95 119.04 2p5x s ARG 14 Ca 0.32 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 2p5x s ARG 14 Cb -0.13 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2p5x s ARG 14 CO 0.21 -1.50 0.08 0.08 -0.81 0.00 0.00 175.30 173.36 2p5x s VAL 15 N 3.49 5.02 -0.05 7.11 1.01 -1.26 -0.46 120.40 135.26 2p5x s VAL 15 Ca 0.22 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2p5x s VAL 15 Cb -0.17 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2p5x s VAL 15 CO 0.14 0.61 -0.14 -0.69 0.00 0.00 0.00 175.10 175.01 2p5x s VAL 16 N -0.92 1.25 -0.36 2.92 1.01 0.10 -1.65 120.40 122.74 2p5x s VAL 16 Ca 0.14 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 2p5x s VAL 16 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2p5x s VAL 16 CO 0.03 0.37 0.26 -0.22 0.00 0.00 0.00 175.10 175.54 2p5x s LEU 17 N 0.23 4.68 -0.72 3.92 2.96 -0.11 0.06 118.68 129.70 2p5x s LEU 17 Ca -0.07 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 2p5x s LEU 17 Cb -0.12 -2.14 0.03 0.00 0.50 0.00 0.00 46.19 44.46 2p5x s LEU 17 CO 0.02 -0.30 2.77 0.00 -1.32 0.00 0.00 176.35 177.53 2p5x n ALA 18 N 5.12 6.61 -3.57 5.97 0.00 -0.27 -1.15 120.51 133.22 2p5x n ALA 18 Ca -0.12 -3.23 -0.12 0.00 0.00 0.00 0.00 53.44 49.97 2p5x n ALA 18 Cb 0.49 -2.42 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 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 0.66 -0.69 0.00 0.00 0.15 -1.24 -4.04 113.70 108.53 2p5x s SER 19 Ca 0.59 1.25 0.27 0.00 0.70 0.00 0.00 55.95 58.76 2p5x s SER 19 Cb 0.31 1.21 0.96 0.00 -1.71 0.00 0.00 66.02 66.79 2p5x s SER 19 CO -0.15 -0.22 1.72 0.00 1.20 0.00 0.00 173.24 175.80 2p5x n ALA 20 N 3.33 2.88 -1.72 5.45 0.00 -1.26 -4.58 120.51 124.62 2p5x n ALA 20 Ca -0.17 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 2p5x n ALA 20 Cb 0.56 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.87 6.47 0.29 0.00 0.15 -1.26 -4.88 113.70 111.61 2p5x s SER 21 Ca 0.17 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.46 2p5x s SER 21 Cb 0.19 -2.54 0.51 0.00 -1.71 0.00 0.00 66.02 62.47 2p5x s SER 21 CO 0.58 -1.03 1.90 -0.65 1.20 0.00 0.00 173.24 175.23 2p5x h PRO 22 N 10.14 1.02 -0.56 5.44 0.11 -1.99 -2.28 132.00 143.88 2p5x h PRO 22 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2p5x h PRO 22 Cb 1.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2p5x h PRO 22 CO 0.94 0.67 -0.05 0.00 -0.21 0.00 0.00 178.00 179.36 2p5x h ARG 23 N 1.05 1.02 -0.60 1.05 3.08 -1.89 -0.36 114.38 117.72 2p5x h ARG 23 Ca 0.41 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2p5x h ARG 23 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2p5x h ARG 23 CO -0.16 1.04 0.06 0.00 -1.07 0.00 0.00 179.97 179.83 2p5x h ARG 24 N 0.91 1.03 -0.23 0.04 3.08 -1.81 -1.04 114.38 116.35 2p5x h ARG 24 Ca 0.15 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 59.94 2p5x h ARG 24 Cb 0.61 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2p5x h ARG 24 CO 0.04 0.98 0.02 1.96 -1.07 0.00 0.00 179.97 181.90 2p5x h GLN 25 N 0.93 0.10 0.01 0.04 4.20 -1.06 -2.26 115.11 117.06 2p5x h GLN 25 Ca 0.18 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.91 2p5x h GLN 25 Cb 0.48 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 2p5x h GLN 25 CO 0.02 0.07 -0.25 0.93 -0.67 0.00 0.00 178.83 178.93 2p5x h GLU 26 N 0.10 -0.37 -0.20 1.46 5.08 -0.74 -1.37 114.58 118.55 2p5x h GLU 26 Ca 0.11 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2p5x h GLU 26 Cb 0.12 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2p5x h GLU 26 CO -0.16 -0.25 -0.09 0.82 -1.00 0.00 0.00 179.01 178.33 2p5x h ILE 27 N -0.39 0.71 -0.70 3.13 2.04 -1.06 0.52 117.51 121.76 2p5x h ILE 27 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2p5x h ILE 27 Cb 0.47 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2p5x h ILE 27 CO -0.22 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.00 2p5x h LEU 28 N -0.07 1.08 -0.08 1.44 3.38 -1.32 -2.07 115.31 117.69 2p5x h LEU 28 Ca 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2p5x h LEU 28 Cb 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2p5x h LEU 28 CO -0.24 1.05 0.03 0.28 0.09 0.00 0.00 178.44 179.66 2p5x h SER 29 N 1.07 0.10 -0.04 -0.43 0.02 -1.03 -1.88 113.55 111.36 2p5x h SER 29 Ca 0.21 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2p5x h SER 29 Cb 0.42 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2p5x h SER 29 CO 0.01 0.22 0.08 0.78 -1.14 0.00 0.00 176.83 176.78 2p5x h ASN 30 N -0.02 0.00 0.86 3.07 2.35 -0.78 0.44 115.58 121.49 2p5x h ASN 30 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2p5x h ASN 30 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2p5x h ASN 30 CO -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 2p5x n ALA 31 N -2.20 2.40 -1.00 -0.83 0.00 -0.79 -4.93 120.51 113.16 2p5x n ALA 31 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2p5x n ALA 31 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.43 0.70 3.83 0.00 0.00 0.15 -5.06 105.19 106.25 2p5x n GLY 32 Ca 0.09 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2p5x n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p5x s LEU 33 N 0.00 4.46 -0.15 0.99 1.43 -0.74 -5.02 118.68 119.65 2p5x s LEU 33 Ca 0.00 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2p5x s LEU 33 Cb 0.00 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2p5x s LEU 33 CO 0.00 0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.75 2p5x s ARG 34 N -1.37 3.58 0.05 1.70 1.70 -1.26 -4.35 118.95 119.00 2p5x s ARG 34 Ca 0.31 -0.57 -0.23 0.00 -0.47 0.00 0.00 55.73 54.77 2p5x s ARG 34 Cb -0.17 -2.83 0.06 0.00 -0.57 0.00 0.00 34.95 31.43 2p5x s ARG 34 CO 0.18 0.24 0.55 -0.59 -1.08 0.00 0.00 175.30 174.60 2p5x s PHE 35 N 0.34 -0.46 0.15 5.89 -0.12 -1.26 -4.50 117.98 118.01 2p5x s PHE 35 Ca -0.06 0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 57.26 2p5x s PHE 35 Cb -0.15 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.56 2p5x s PHE 35 CO 0.04 -0.67 0.44 -1.21 -0.05 0.00 0.00 175.22 173.77 2p5x s GLU 36 N -2.50 3.72 -0.34 1.99 2.02 -0.66 -4.94 118.70 118.00 2p5x s GLU 36 Ca -0.05 0.11 -0.13 0.00 0.02 0.00 0.00 54.97 54.92 2p5x s GLU 36 Cb -0.01 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 2p5x s GLU 36 CO -0.02 0.44 0.24 0.08 0.02 0.00 0.00 175.26 176.02 2p5x s VAL 37 N -1.64 5.27 -0.39 2.63 1.01 -1.26 -0.94 120.40 125.09 2p5x s VAL 37 Ca 0.41 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2p5x s VAL 37 Cb -0.12 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.68 2p5x s VAL 37 CO 0.22 0.00 0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2p5x s VAL 38 N 1.72 1.31 0.60 2.92 1.01 -0.30 -4.97 120.40 122.69 2p5x s VAL 38 Ca 0.06 -2.17 -0.19 0.00 0.00 0.00 0.00 61.98 59.67 2p5x s VAL 38 Cb -0.17 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2p5x s VAL 38 CO 0.10 -0.80 1.24 -2.65 0.00 0.00 0.00 175.10 172.99 2p5x n PRO 39 N 4.02 1.26 -3.04 2.72 -0.01 -1.26 -3.74 135.00 134.95 2p5x n PRO 39 Ca 0.05 0.48 -0.35 0.00 -0.01 0.00 0.00 63.50 63.67 2p5x n PRO 39 Cb 0.37 -2.46 -0.06 0.00 -0.01 0.00 0.00 33.50 31.35 2p5x n PRO 39 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 2p5x s SER 40 N -1.18 7.02 0.00 2.55 0.15 -1.26 -4.89 113.70 116.08 2p5x s SER 40 Ca 0.77 1.47 0.24 0.00 0.70 0.00 0.00 55.95 59.13 2p5x s SER 40 Cb -0.40 -2.44 0.26 0.00 -1.71 0.00 0.00 66.02 61.72 2p5x s SER 40 CO 0.45 -0.08 1.24 0.29 1.20 0.00 0.00 173.24 176.34 2p5x n LYS 41 N 0.30 0.22 -1.72 5.44 5.02 -1.26 -4.81 118.16 121.36 2p5x n LYS 41 Ca 0.01 -0.16 -0.19 0.00 -2.02 0.00 0.00 58.31 55.95 2p5x n LYS 41 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2p5x n LYS 41 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2p5x s PHE 42 N -2.89 1.34 -0.60 2.13 5.36 -1.26 -4.61 117.98 117.45 2p5x s PHE 42 Ca 0.13 1.55 0.15 0.00 -0.96 0.00 0.00 56.93 57.79 2p5x s PHE 42 Cb 0.17 -3.64 -0.18 0.00 -0.34 0.00 0.00 43.02 39.04 2p5x s PHE 42 CO 0.72 -1.70 0.59 0.36 -1.46 0.00 0.00 175.22 173.73 2p5x n LYS 43 N 8.85 1.78 -1.56 10.12 -0.00 -1.26 -4.84 118.16 131.25 2p5x n LYS 43 Ca 0.44 -0.02 -0.58 0.00 -0.00 0.00 0.00 58.31 58.14 2p5x n LYS 43 Cb 0.45 -1.24 -0.09 0.00 -0.00 0.00 0.00 35.03 34.16 2p5x n LYS 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2p5x n GLU 44 N -1.46 0.69 -2.99 -1.58 0.28 -1.26 -4.87 120.64 109.44 2p5x n GLU 44 Ca 0.02 0.23 -0.42 0.00 -0.16 0.00 0.00 57.16 56.83 2p5x n GLU 44 Cb 0.26 -1.95 -0.05 0.00 1.43 0.00 0.00 31.44 31.13 2p5x n GLU 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2p5x s LYS 45 N 4.58 3.72 0.71 3.44 1.02 -1.26 -5.02 119.74 126.93 2p5x s LYS 45 Ca 1.07 0.24 -0.15 0.00 0.02 0.00 0.00 55.97 57.15 2p5x s LYS 45 Cb -1.19 -3.81 0.03 0.00 -0.52 0.00 0.00 37.83 32.33 2p5x s LYS 45 CO 0.65 -0.83 1.16 -0.51 -0.92 0.00 0.00 175.35 174.90 2p5x s LEU 46 N 3.02 3.32 -0.67 3.17 1.43 -1.26 -4.92 118.68 122.76 2p5x s LEU 46 Ca 0.30 2.19 -0.27 0.00 -1.03 0.00 0.00 54.13 55.32 2p5x s LEU 46 Cb -0.13 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.54 2p5x s LEU 46 CO 0.17 -2.05 1.27 -0.62 0.23 0.00 0.00 176.35 175.35 2p5x s ASP 47 N -2.31 6.25 0.41 2.29 -1.08 -1.26 -4.90 116.67 116.06 2p5x s ASP 47 Ca 0.71 -0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.71 2p5x s ASP 47 Cb -0.25 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 39.75 2p5x s ASP 47 CO 0.44 -1.72 1.80 0.11 0.52 0.00 0.00 175.17 176.33 2p5x h LYS 48 N 9.99 0.39 0.00 4.34 1.57 -1.96 -0.08 116.57 130.81 2p5x h LYS 48 Ca -0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2p5x h LYS 48 Cb 1.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2p5x h LYS 48 CO 1.24 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 180.38 2p5x n ALA 49 N -2.49 1.63 1.00 3.86 0.00 -1.26 -2.38 120.51 120.87 2p5x n ALA 49 Ca 0.23 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.89 2p5x n ALA 49 Cb 0.82 -1.37 0.55 0.00 0.00 0.00 0.00 19.45 19.45 2p5x n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2p5x n SER 50 N -2.18 0.09 -4.62 0.00 3.41 -0.04 -4.83 113.62 105.45 2p5x n SER 50 Ca 0.02 0.36 -0.34 0.00 -0.26 0.00 0.00 58.87 58.64 2p5x n SER 50 Cb 0.22 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 2p5x n SER 50 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2p5x s PHE 51 N -3.00 3.05 0.32 7.33 0.08 -1.00 -5.00 117.98 119.77 2p5x s PHE 51 Ca 0.14 0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.31 2p5x s PHE 51 Cb 0.19 -1.78 0.55 0.00 -0.57 0.00 0.00 43.02 41.41 2p5x s PHE 51 CO 0.56 0.34 1.78 0.00 -0.10 0.00 0.00 175.22 177.80 2p5x h ALA 52 N 5.43 1.24 -2.87 5.36 0.00 -1.88 -3.46 119.26 123.09 2p5x h ALA 52 Ca -0.47 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 53.84 2p5x h ALA 52 Cb 1.18 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 2p5x h ALA 52 CO 0.55 0.50 -0.73 0.95 0.00 0.00 0.00 179.25 180.52 2p5x s THR 53 N -4.45 0.69 0.41 0.00 -4.23 -1.26 -5.04 115.64 101.77 2p5x s THR 53 Ca -0.05 -1.41 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2p5x s THR 53 Cb 0.14 -1.05 0.22 0.00 1.34 0.00 0.00 72.50 73.15 2p5x s THR 53 CO 0.76 -0.53 2.00 1.55 -0.54 0.00 0.00 174.62 177.87 2p5x h PRO 54 N 3.92 0.36 -0.14 3.99 0.13 -1.95 -2.69 132.00 135.63 2p5x h PRO 54 Ca -0.36 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 2p5x h PRO 54 Cb 1.19 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2p5x h PRO 54 CO 0.49 0.33 -0.65 0.10 -0.23 0.00 0.00 178.00 178.04 2p5x h TYR 55 N 0.36 0.68 -0.54 1.56 -0.00 -1.97 -2.12 116.97 114.93 2p5x h TYR 55 Ca 0.09 -0.27 0.07 0.00 0.00 0.00 0.00 58.73 58.62 2p5x h TYR 55 Cb 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 36.73 36.69 2p5x h TYR 55 CO 0.00 1.03 0.21 0.78 -0.00 0.00 0.00 178.16 180.18 2p5x h GLY 56 N 1.09 0.74 0.89 0.10 0.00 -1.93 -1.03 103.07 102.93 2p5x h GLY 56 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.22 2p5x h GLY 56 CO 0.12 0.01 0.23 -1.82 0.00 0.00 0.00 176.54 175.08 2p5x h TYR 57 N 0.40 0.43 -0.49 5.60 3.20 -1.35 -2.40 116.97 122.35 2p5x h TYR 57 Ca 0.26 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2p5x h TYR 57 Cb 0.29 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2p5x h TYR 57 CO -0.16 0.25 0.02 0.00 -1.64 0.00 0.00 178.16 176.63 2p5x h ALA 58 N 1.18 0.66 -0.74 1.82 0.00 -1.05 -1.69 119.26 119.45 2p5x h ALA 58 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2p5x h ALA 58 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2p5x h ALA 58 CO -0.08 0.45 0.25 0.52 0.00 0.00 0.00 179.25 180.39 2p5x h MET 59 N 0.72 1.13 -0.10 0.00 2.86 -1.18 -0.92 114.93 117.45 2p5x h MET 59 Ca 0.14 -0.23 -0.23 0.00 -2.06 0.00 0.00 59.70 57.33 2p5x h MET 59 Cb 0.48 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.98 2p5x h MET 59 CO 0.02 0.95 -0.83 1.49 1.06 0.00 0.00 176.91 179.60 2p5x h GLU 60 N 1.08 0.68 0.33 1.72 4.57 -1.35 -0.68 114.58 120.93 2p5x h GLU 60 Ca 0.24 -0.60 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2p5x h GLU 60 Cb 0.28 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2p5x h GLU 60 CO -0.01 1.21 -0.24 1.15 -1.18 0.00 0.00 179.01 179.94 2p5x h THR 61 N 0.44 0.50 -0.75 0.32 2.02 -1.23 -0.74 112.91 113.47 2p5x h THR 61 Ca -0.07 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.28 2p5x h THR 61 Cb 1.46 0.50 -0.11 0.00 -1.74 0.00 0.00 68.15 68.25 2p5x h THR 61 CO 0.16 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.22 2p5x h ALA 62 N 0.05 0.97 0.08 6.16 0.00 -1.13 -1.31 119.26 124.08 2p5x h ALA 62 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2p5x h ALA 62 Cb 0.49 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2p5x h ALA 62 CO 0.01 -0.36 -0.04 -0.22 0.00 0.00 0.00 179.25 178.64 2p5x h LYS 63 N 0.25 -0.10 -0.26 0.00 3.64 -0.69 -1.98 116.57 117.42 2p5x h LYS 63 Ca 0.43 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.72 2p5x h LYS 63 Cb 0.74 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2p5x h LYS 63 CO -0.53 0.12 -0.24 1.96 -2.27 0.00 0.00 179.45 178.49 2p5x h GLN 64 N -0.32 0.49 -0.75 1.90 1.08 -0.93 -0.66 115.11 115.93 2p5x h GLN 64 Ca -0.01 -0.18 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 2p5x h GLN 64 Cb 0.27 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2p5x h GLN 64 CO 0.02 0.70 0.49 0.87 -0.95 0.00 0.00 178.83 179.95 2p5x h LYS 65 N 0.44 0.95 -0.11 1.46 1.57 -1.16 0.19 116.57 119.90 2p5x h LYS 65 Ca 0.07 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2p5x h LYS 65 Cb 0.65 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2p5x h LYS 65 CO 0.05 0.63 -0.62 0.00 -0.57 0.00 0.00 179.45 178.93 2p5x h ALA 66 N 1.30 0.23 -0.95 3.86 0.00 -0.89 -2.65 119.26 120.16 2p5x h ALA 66 Ca 0.29 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2p5x h ALA 66 Cb -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2p5x h ALA 66 CO -0.08 0.49 0.61 -0.07 0.00 0.00 0.00 179.25 180.20 2p5x h LEU 67 N 0.27 0.92 -0.38 0.00 3.38 -1.03 0.77 115.31 119.24 2p5x h LEU 67 Ca -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2p5x h LEU 67 Cb 1.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2p5x h LEU 67 CO 0.13 0.56 0.17 -0.08 0.09 0.00 0.00 178.44 179.31 2p5x h GLU 68 N 1.03 0.55 -0.20 1.13 4.22 -0.85 -1.68 114.58 118.78 2p5x h GLU 68 Ca 0.43 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.77 2p5x h GLU 68 Cb 0.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2p5x h GLU 68 CO -0.18 0.50 0.07 0.28 -2.18 0.00 0.00 179.01 177.50 2p5x h VAL 69 N 0.47 1.18 -0.29 0.32 2.07 -1.08 -1.15 116.25 117.77 2p5x h VAL 69 Ca 0.13 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.17 2p5x h VAL 69 Cb 0.14 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2p5x h VAL 69 CO -0.01 0.17 -0.22 0.00 0.02 0.00 0.00 177.57 177.53 2p5x h ALA 70 N 0.90 -0.06 -0.22 1.67 0.00 -0.80 -1.58 119.26 119.17 2p5x h ALA 70 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2p5x h ALA 70 Cb 0.20 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2p5x h ALA 70 CO -0.00 -0.63 0.11 -0.97 0.00 0.00 0.00 179.25 177.75 2p5x h ASN 71 N -0.20 0.16 -0.67 0.00 -0.73 -1.21 -1.08 115.58 111.84 2p5x h ASN 71 Ca 0.15 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2p5x h ASN 71 Cb 0.44 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 2p5x h ASN 71 CO -0.41 0.13 0.43 -0.09 -0.37 0.00 0.00 177.43 177.11 2p5x h ARG 72 N 0.23 0.89 -0.31 6.67 2.43 -0.83 -0.57 114.38 122.89 2p5x h ARG 72 Ca 0.09 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2p5x h ARG 72 Cb 0.02 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2p5x h ARG 72 CO -0.06 0.61 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.69 2p5x h LEU 73 N 0.91 0.76 -0.22 3.80 3.38 -1.21 -2.80 115.31 119.93 2p5x h LEU 73 Ca 0.24 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2p5x h LEU 73 Cb -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2p5x h LEU 73 CO -0.05 1.05 0.09 0.22 0.09 0.00 0.00 178.44 179.84 2p5x h TYR 74 N 0.48 0.16 -0.03 1.13 3.20 -0.90 -0.83 116.97 120.18 2p5x h TYR 74 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2p5x h TYR 74 Cb 0.81 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 2p5x h TYR 74 CO 0.07 0.09 -0.00 1.96 -1.64 0.00 0.00 178.16 178.63 2p5x h GLN 75 N 0.20 0.05 0.00 1.82 1.08 -1.09 0.65 115.11 117.81 2p5x h GLN 75 Ca 0.09 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2p5x h GLN 75 Cb 0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2p5x h GLN 75 CO -0.08 0.06 -0.00 -0.22 -0.95 0.00 0.00 178.83 177.64 2p5x h LYS 76 N 0.05 -0.00 0.00 1.46 3.64 -1.19 -3.38 116.57 117.14 2p5x h LYS 76 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2p5x h LYS 76 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2p5x h LYS 76 CO 0.00 0.95 -1.25 -0.25 -2.27 0.00 0.00 179.45 176.63 2p5x n ASP 77 N -4.62 0.55 -2.11 4.20 8.00 -0.35 -4.94 116.55 117.27 2p5x n ASP 77 Ca -0.10 -0.30 -0.17 0.00 0.71 0.00 0.00 54.79 54.94 2p5x n ASP 77 Cb 0.46 1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 42.64 2p5x n ASP 77 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2p5x n LEU 78 N -1.97 -1.44 -3.77 0.64 4.77 0.23 -4.97 117.00 110.49 2p5x n LEU 78 Ca 0.01 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2p5x n LEU 78 Cb 0.45 -2.49 -0.09 0.00 -2.33 0.00 0.00 43.42 38.96 2p5x n LEU 78 CO 0.42 -0.40 -0.00 0.00 -1.33 0.00 0.00 177.39 176.08 2p5x s ARG 79 N -4.51 0.62 0.23 3.23 1.70 -1.23 -5.01 118.95 113.98 2p5x s ARG 79 Ca 0.00 -0.16 -0.11 0.00 -0.47 0.00 0.00 55.73 54.99 2p5x s ARG 79 Cb 0.00 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.58 2p5x s ARG 79 CO 0.00 -0.16 0.58 0.00 -1.08 0.00 0.00 175.30 174.64 2p5x s ALA 80 N -1.19 3.52 1.04 7.88 0.00 -1.26 -4.11 121.76 127.64 2p5x s ALA 80 Ca -0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 2p5x s ALA 80 Cb -0.05 -2.51 0.21 0.00 0.00 0.00 0.00 23.12 20.77 2p5x s ALA 80 CO 0.04 0.47 1.08 -1.25 0.00 0.00 0.00 175.76 176.10 2p5x s PRO 81 N -2.72 0.12 -0.05 0.00 0.04 -1.26 -4.87 135.00 126.25 2p5x s PRO 81 Ca 0.47 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 2p5x s PRO 81 Cb -0.12 -1.70 -0.29 0.00 0.04 0.00 0.00 34.50 32.43 2p5x s PRO 81 CO 0.20 -2.95 0.65 -0.44 0.04 0.00 0.00 177.00 174.50 2p5x h ASP 82 N -2.05 0.53 -3.50 6.66 3.32 -1.03 -3.39 116.42 116.95 2p5x h ASP 82 Ca -0.56 -0.84 -0.28 0.00 0.02 0.00 0.00 57.03 55.37 2p5x h ASP 82 Cb 1.33 -0.17 -0.33 0.00 0.22 0.00 0.00 39.33 40.38 2p5x h ASP 82 CO 0.56 1.72 -0.69 -0.69 -1.72 0.00 0.00 179.24 178.42 2p5x s VAL 83 N -2.58 -0.06 -0.17 -1.35 1.01 -0.74 -1.00 120.40 115.52 2p5x s VAL 83 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2p5x s VAL 83 Cb 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.32 2p5x s VAL 83 CO 0.84 0.08 -0.16 -0.69 0.00 0.00 0.00 175.10 175.17 2p5x s VAL 84 N 1.08 2.47 -0.26 2.92 1.01 0.10 0.01 120.40 127.73 2p5x s VAL 84 Ca -0.09 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2p5x s VAL 84 Cb -0.12 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2p5x s VAL 84 CO -0.04 0.52 0.15 -0.63 0.00 0.00 0.00 175.10 175.10 2p5x s ILE 85 N 1.05 5.09 0.06 2.22 1.01 0.11 -0.67 121.20 130.08 2p5x s ILE 85 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2p5x s ILE 85 Cb -0.14 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2p5x s ILE 85 CO -0.05 0.31 0.02 -0.83 0.00 0.00 0.00 174.94 174.39 2p5x s GLY 86 N 1.45 1.93 -0.03 6.18 0.00 0.63 -1.12 107.32 116.36 2p5x s GLY 86 Ca 0.07 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.66 2p5x s GLY 86 CO 0.07 -0.99 0.18 0.00 0.00 0.00 0.00 173.10 172.36 2p5x s ALA 87 N -1.26 -0.44 -0.05 3.20 0.00 -1.26 -1.25 121.76 120.69 2p5x s ALA 87 Ca 0.25 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 2p5x s ALA 87 Cb -0.12 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2p5x s ALA 87 CO 0.17 -0.17 0.08 0.34 0.00 0.00 0.00 175.76 176.18 2p5x s ASP 88 N -0.81 0.96 -0.18 0.00 2.15 0.17 -4.67 116.67 114.29 2p5x s ASP 88 Ca -0.09 0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.99 2p5x s ASP 88 Cb -0.05 -0.04 -0.02 0.00 -0.30 0.00 0.00 42.92 42.51 2p5x s ASP 88 CO 0.01 -0.24 -0.02 -0.89 -0.17 0.00 0.00 175.17 173.86 2p5x s THR 89 N 2.11 3.82 0.17 1.71 2.01 -1.26 -0.86 115.64 123.34 2p5x s THR 89 Ca 0.03 -0.37 0.09 0.00 0.31 0.00 0.00 61.69 61.76 2p5x s THR 89 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2p5x s THR 89 CO -0.04 0.45 -0.19 0.27 -0.69 0.00 0.00 174.62 174.42 2p5x s ILE 90 N 0.80 1.92 -0.13 1.82 -4.36 0.29 -4.70 121.20 116.85 2p5x s ILE 90 Ca -0.01 -1.93 -0.02 0.00 -0.26 0.00 0.00 60.65 58.44 2p5x s ILE 90 Cb -0.14 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 2p5x s ILE 90 CO 0.02 -0.27 -0.07 -0.69 0.24 0.00 0.00 174.94 174.17 2p5x s VAL 91 N -1.95 3.66 -0.07 8.37 1.01 -0.76 -1.31 120.40 129.34 2p5x s VAL 91 Ca 0.16 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2p5x s VAL 91 Cb -0.06 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2p5x s VAL 91 CO 0.07 0.52 -0.22 0.42 0.00 0.00 0.00 175.10 175.89 2p5x s THR 92 N 0.12 2.28 -0.11 3.92 -4.23 0.13 0.02 115.64 117.76 2p5x s THR 92 Ca -0.03 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.47 2p5x s THR 92 Cb -0.14 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 71.90 2p5x s THR 92 CO 0.03 0.56 0.17 0.54 -0.54 0.00 0.00 174.62 175.39 2p5x s VAL 93 N -0.05 -0.28 -1.32 2.29 0.11 -0.45 -1.12 120.40 119.58 2p5x s VAL 93 Ca -0.06 0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2p5x s VAL 93 Cb -0.15 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 2p5x s VAL 93 CO 0.05 0.08 1.14 0.61 -3.33 0.00 0.00 175.10 173.65 2p5x n GLY 94 N 5.32 -0.50 2.39 6.54 0.00 -1.26 -2.01 105.19 115.67 2p5x n GLY 94 Ca -0.05 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.80 -0.37 3.04 -0.02 0.00 -1.26 -5.00 105.19 99.78 2p5x n GLY 95 Ca -0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.23 1.66 -0.26 0.99 2.96 -0.85 -5.12 118.68 112.83 2p5x s LEU 96 Ca 0.03 -0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 2p5x s LEU 96 Cb -0.01 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 2p5x s LEU 96 CO 0.03 0.02 0.56 -0.63 -1.32 0.00 0.00 176.35 175.02 2p5x s ILE 97 N 0.88 5.03 -0.15 6.68 1.01 -1.26 -1.34 121.20 132.05 2p5x s ILE 97 Ca -0.10 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 2p5x s ILE 97 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2p5x s ILE 97 CO 0.01 0.06 0.08 -0.76 0.00 0.00 0.00 174.94 174.33 2p5x s LEU 98 N 2.36 3.99 0.00 2.97 1.43 0.10 -5.00 118.68 124.53 2p5x s LEU 98 Ca 0.23 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2p5x s LEU 98 Cb -0.16 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2p5x s LEU 98 CO 0.09 0.27 0.00 -0.62 0.23 0.00 0.00 176.35 176.32 2p5x n GLU 99 N 2.90 3.89 -2.27 1.70 1.02 -1.26 -1.84 120.64 124.77 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 -0.03 0.00 -0.02 0.00 0.00 31.44 31.93 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 2.44 4.29 0.25 3.49 1.02 -1.26 -1.07 119.74 128.89 2p5x s LYS 100 Ca 0.00 1.96 -0.30 0.00 0.02 0.00 0.00 55.97 57.65 2p5x s LYS 100 Cb 0.00 -2.92 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 2p5x s LYS 100 CO 0.00 -0.16 1.23 -1.25 -0.92 0.00 0.00 175.35 174.26 2p5x s PRO 101 N -1.94 4.46 0.01 -1.68 0.04 -1.26 -4.94 135.00 129.70 2p5x s PRO 101 Ca 0.51 1.99 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 2p5x s PRO 101 Cb -0.34 -3.18 -0.17 0.00 0.04 0.00 0.00 34.50 30.85 2p5x s PRO 101 CO 0.44 -0.09 1.29 -0.39 0.04 0.00 0.00 177.00 178.29 2p5x h VAL 102 N 3.43 1.38 -3.22 -0.36 -1.51 -1.92 -3.47 116.25 110.58 2p5x h VAL 102 Ca -0.46 -1.31 -0.50 0.00 -1.23 0.00 0.00 66.70 63.20 2p5x h VAL 102 Cb 1.22 2.06 -0.14 0.00 -2.13 0.00 0.00 31.29 32.31 2p5x h VAL 102 CO 0.71 0.37 -0.54 1.51 -1.23 0.00 0.00 177.57 178.39 2p5x s ASP 103 N -5.99 2.26 0.40 4.19 3.84 -1.26 -5.05 116.67 115.06 2p5x s ASP 103 Ca -0.15 -1.60 0.10 0.00 -0.00 0.00 0.00 52.55 50.90 2p5x s ASP 103 Cb 0.04 0.40 0.83 0.00 -1.38 0.00 0.00 42.92 42.80 2p5x s ASP 103 CO 0.72 -0.88 1.94 0.07 -0.00 0.00 0.00 175.17 177.02 2p5x h LYS 104 N 1.99 0.23 0.00 2.11 2.10 -1.96 -1.90 116.57 119.13 2p5x h LYS 104 Ca -0.35 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.18 2p5x h LYS 104 Cb 1.26 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2p5x h LYS 104 CO 0.56 0.34 -0.38 -0.56 -2.00 0.00 0.00 179.45 177.41 2p5x h GLN 105 N 0.22 0.00 -0.09 0.07 -0.00 -1.98 -2.64 115.11 110.69 2p5x h GLN 105 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.53 2p5x h GLN 105 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.79 2p5x h GLN 105 CO 0.02 0.38 -0.65 0.22 -0.00 0.00 0.00 178.83 178.79 2p5x h ASP 106 N 0.00 0.40 -0.56 0.06 3.58 -1.77 -2.17 116.42 115.95 2p5x h ASP 106 Ca -0.00 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 2p5x h ASP 106 Cb 1.10 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2p5x h ASP 106 CO 0.05 0.94 0.23 0.00 -2.88 0.00 0.00 179.24 177.58 2p5x h ALA 107 N 1.06 0.73 -0.65 -0.78 0.00 -1.37 -1.81 119.26 116.43 2p5x h ALA 107 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2p5x h ALA 107 Cb 1.19 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2p5x h ALA 107 CO 0.11 0.33 0.39 -0.92 0.00 0.00 0.00 179.25 179.16 2p5x h TYR 108 N 0.77 0.73 -0.42 0.00 3.20 -1.28 -1.41 116.97 118.55 2p5x h TYR 108 Ca 0.19 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 2p5x h TYR 108 Cb 0.19 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2p5x h TYR 108 CO 0.01 0.39 -0.30 0.00 -1.64 0.00 0.00 178.16 176.62 2p5x h ARG 109 N 0.75 0.94 0.01 1.82 3.08 -1.31 -1.30 114.38 118.38 2p5x h ARG 109 Ca 0.27 -0.44 0.02 0.00 0.07 0.00 0.00 59.98 59.91 2p5x h ARG 109 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2p5x h ARG 109 CO -0.13 1.10 -0.17 0.52 -1.07 0.00 0.00 179.97 180.22 2p5x h MET 110 N 0.79 -0.28 -0.44 0.04 2.86 -1.02 -1.28 114.93 115.59 2p5x h MET 110 Ca 0.08 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2p5x h MET 110 Cb 0.88 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 2p5x h MET 110 CO 0.08 -0.19 -0.06 -0.07 1.06 0.00 0.00 176.91 177.74 2p5x h LEU 111 N -0.29 0.74 -0.39 1.22 3.38 -1.20 -1.82 115.31 116.95 2p5x h LEU 111 Ca 0.05 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2p5x h LEU 111 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2p5x h LEU 111 CO -0.16 0.84 0.23 0.28 0.09 0.00 0.00 178.44 179.72 2p5x h SER 112 N 0.70 0.38 -0.31 -0.43 0.02 -1.02 0.11 113.55 112.99 2p5x h SER 112 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2p5x h SER 112 Cb 0.51 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2p5x h SER 112 CO 0.03 0.27 0.03 -0.09 -1.14 0.00 0.00 176.83 175.93 2p5x h ARG 113 N 0.47 0.64 0.00 3.45 9.65 -0.99 -3.10 114.38 124.51 2p5x h ARG 113 Ca 0.15 -0.14 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 2p5x h ARG 113 Cb -0.01 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 2p5x h ARG 113 CO -0.06 0.64 -0.58 -0.07 2.80 0.00 0.00 179.97 182.70 2p5x h LEU 114 N 0.61 0.00 -9.41 3.80 3.38 -0.95 -3.46 115.31 109.28 2p5x h LEU 114 Ca 0.13 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.48 2p5x h LEU 114 Cb 0.35 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.15 2p5x h LEU 114 CO 0.01 0.29 0.68 -0.24 0.09 0.00 0.00 178.44 179.26 2p5x n SER 115 N -3.05 2.55 0.00 -0.43 2.88 0.35 -2.60 113.62 113.33 2p5x n SER 115 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2p5x n SER 115 Cb 0.66 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 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 3.12 0.80 3.42 0.46 0.00 -0.64 -4.92 105.19 107.42 2p5x n GLY 116 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2p5x n GLY 116 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2p5x s ARG 117 N -0.15 1.77 -0.11 1.61 1.70 -1.07 -4.83 118.95 117.86 2p5x s ARG 117 Ca 0.00 -2.04 -0.10 0.00 -0.47 0.00 0.00 55.73 53.12 2p5x s ARG 117 Cb 0.00 -0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 2p5x s ARG 117 CO 0.00 -0.46 0.22 -2.00 -1.08 0.00 0.00 175.30 171.98 2p5x s GLU 118 N -3.74 3.77 0.34 3.89 2.12 -1.26 -1.70 118.70 122.11 2p5x s GLU 118 Ca 0.31 0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.69 2p5x s GLU 118 Cb 0.04 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 2p5x s GLU 118 CO 0.17 0.61 0.06 -3.38 -0.54 0.00 0.00 175.26 172.18 2p5x s HIS 119 N -0.62 2.00 -0.05 5.30 -3.43 -0.06 -4.84 115.29 113.60 2p5x s HIS 119 Ca 0.16 -0.95 0.01 0.00 -0.80 0.00 0.00 55.06 53.48 2p5x s HIS 119 Cb -0.13 -1.33 -0.03 0.00 -1.43 0.00 0.00 32.58 29.66 2p5x s HIS 119 CO 0.05 0.03 -0.05 -1.12 -2.00 0.00 0.00 174.74 171.66 2p5x s SER 120 N -3.52 4.82 -0.19 7.38 0.01 -0.28 -0.26 113.70 121.66 2p5x s SER 120 Ca 0.35 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 2p5x s SER 120 Cb 0.08 -1.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 2p5x s SER 120 CO 0.16 0.34 -0.00 -0.69 0.41 0.00 0.00 173.24 173.45 2p5x s VAL 121 N -0.90 3.98 -0.16 3.43 1.01 0.47 -0.70 120.40 127.53 2p5x s VAL 121 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2p5x s VAL 121 Cb -0.11 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2p5x s VAL 121 CO 0.04 0.44 -0.14 -0.36 0.00 0.00 0.00 175.10 175.08 2p5x s PHE 122 N 0.87 2.81 -0.26 5.22 0.08 -0.43 -1.41 117.98 124.85 2p5x s PHE 122 Ca 0.01 -1.05 -0.07 0.00 0.12 0.00 0.00 56.93 55.94 2p5x s PHE 122 Cb -0.14 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 2p5x s PHE 122 CO 0.02 -0.50 0.06 0.99 -0.10 0.00 0.00 175.22 175.69 2p5x s THR 123 N 0.92 4.09 -0.09 0.64 2.01 -0.99 -0.54 115.64 121.68 2p5x s THR 123 Ca -0.03 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.38 2p5x s THR 123 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2p5x s THR 123 CO -0.01 0.26 0.58 -0.83 -0.69 0.00 0.00 174.62 173.93 2p5x s GLY 124 N 1.56 2.51 -0.05 4.40 0.00 -0.04 -2.25 107.32 113.45 2p5x s GLY 124 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.80 2p5x s GLY 124 CO 0.02 0.96 -0.25 0.14 0.00 0.00 0.00 173.10 173.97 2p5x s VAL 125 N 0.67 2.11 -0.16 1.40 1.01 -0.06 -0.66 120.40 124.72 2p5x s VAL 125 Ca 0.31 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2p5x s VAL 125 Cb -0.16 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 2p5x s VAL 125 CO 0.14 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.67 2p5x s ALA 126 N -0.24 2.52 -0.32 5.51 0.00 -0.38 -1.41 121.76 127.43 2p5x s ALA 126 Ca -0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 2p5x s ALA 126 Cb -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2p5x s ALA 126 CO 0.03 -0.05 0.14 0.42 0.00 0.00 0.00 175.76 176.31 2p5x s ILE 127 N 0.84 4.39 -0.41 0.00 1.01 0.71 -0.27 121.20 127.47 2p5x s ILE 127 Ca -0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 2p5x s ILE 127 Cb -0.15 -3.30 0.09 0.00 0.01 0.00 0.00 42.46 39.10 2p5x s ILE 127 CO -0.00 -0.01 0.22 -0.69 0.00 0.00 0.00 174.94 174.46 2p5x s VAL 128 N 1.56 3.83 -0.04 2.92 1.01 0.16 -0.62 120.40 129.22 2p5x s VAL 128 Ca 0.03 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 2p5x s VAL 128 Cb -0.18 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2p5x s VAL 128 CO 0.05 -0.53 1.01 -1.00 0.00 0.00 0.00 175.10 174.64 2p5x s HIS 129 N 1.32 3.57 0.12 5.22 3.76 -0.53 -0.72 115.29 128.03 2p5x s HIS 129 Ca 0.04 1.62 0.10 0.00 -0.15 0.00 0.00 55.06 56.66 2p5x s HIS 129 Cb -0.23 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 2p5x s HIS 129 CO -0.00 -0.22 -0.25 0.00 -0.85 0.00 0.00 174.74 173.42 2p5x s SER 131 N -1.97 0.03 -0.12 0.00 1.04 0.03 -4.63 113.70 108.08 2p5x s SER 131 Ca 0.12 -0.16 0.17 0.00 0.48 0.00 0.00 55.95 56.55 2p5x s SER 131 Cb -0.10 0.20 0.29 0.00 0.10 0.00 0.00 66.02 66.51 2p5x s SER 131 CO 0.05 -0.30 1.17 -1.54 0.98 0.00 0.00 173.24 173.60 2p5x n SER 132 N 1.75 2.51 -0.29 7.02 3.41 -1.26 -0.48 113.62 126.29 2p5x n SER 132 Ca -0.21 -2.95 0.28 0.00 -0.26 0.00 0.00 58.87 55.73 2p5x n SER 132 Cb 0.56 -0.39 0.64 0.00 -0.26 0.00 0.00 64.21 64.76 2p5x n SER 132 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2p5x h LYS 133 N 0.25 0.17 -0.77 4.33 3.64 -1.96 -3.07 116.57 119.15 2p5x h LYS 133 Ca 0.00 -0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 58.83 2p5x h LYS 133 Cb 1.00 -0.04 -0.43 0.00 -0.41 0.00 0.00 32.23 32.35 2p5x h LYS 133 CO 0.03 0.11 -0.83 -0.25 -2.27 0.00 0.00 179.45 176.24 2p5x n ASP 134 N -4.39 4.75 -1.76 4.20 8.00 -1.26 -4.94 116.55 121.14 2p5x n ASP 134 Ca 0.24 -3.66 -0.15 0.00 0.71 0.00 0.00 54.79 51.93 2p5x n ASP 134 Cb 1.02 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 -0.69 -0.81 -3.67 1.24 8.25 -1.16 -4.98 115.22 113.40 2p5x n HIS 135 Ca 0.42 0.06 -0.08 0.00 -0.26 0.00 0.00 57.72 57.86 2p5x n HIS 135 Cb 0.95 -3.16 -0.02 0.00 1.12 0.00 0.00 29.99 28.87 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 -4.84 1.43 -0.38 -0.41 -2.07 -1.26 -5.12 119.66 107.02 2p5x s GLN 136 Ca 0.03 -0.70 -0.27 0.00 -1.82 0.00 0.00 55.36 52.60 2p5x s GLN 136 Cb -0.02 0.55 0.02 0.00 -1.09 0.00 0.00 33.01 32.47 2p5x s GLN 136 CO 0.04 -0.64 1.01 -1.17 -1.32 0.00 0.00 175.29 173.21 2p5x s LEU 137 N -2.82 3.91 -0.17 2.60 2.96 -1.26 -4.01 118.68 119.88 2p5x s LEU 137 Ca 0.07 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 54.61 2p5x s LEU 137 Cb -0.03 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 2p5x s LEU 137 CO -0.02 -0.94 0.02 -0.62 -1.32 0.00 0.00 176.35 173.47 2p5x s ASP 138 N 1.93 5.23 0.19 3.68 2.15 0.37 -4.97 116.67 125.25 2p5x s ASP 138 Ca 0.42 -0.02 0.11 0.00 0.43 0.00 0.00 52.55 53.49 2p5x s ASP 138 Cb -0.11 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 2p5x s ASP 138 CO 0.20 0.16 -0.24 0.42 -0.17 0.00 0.00 175.17 175.55 2p5x s THR 139 N 0.41 2.32 -0.06 1.71 -4.23 -1.26 -0.79 115.64 113.74 2p5x s THR 139 Ca -0.00 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 2p5x s THR 139 Cb -0.13 -2.10 0.04 0.00 1.34 0.00 0.00 72.50 71.64 2p5x s THR 139 CO 0.02 -0.12 0.10 -0.60 -0.54 0.00 0.00 174.62 173.47 2p5x s ARG 140 N -2.66 -0.03 -0.13 3.99 3.52 -0.34 -5.02 118.95 118.28 2p5x s ARG 140 Ca 0.20 0.43 -0.05 0.00 -0.13 0.00 0.00 55.73 56.18 2p5x s ARG 140 Cb -0.08 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.89 2p5x s ARG 140 CO 0.10 -0.30 0.06 0.08 -0.81 0.00 0.00 175.30 174.43 2p5x s VAL 141 N 2.05 4.80 -0.18 7.11 1.01 -1.26 -1.46 120.40 132.47 2p5x s VAL 141 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2p5x s VAL 141 Cb -0.12 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2p5x s VAL 141 CO -0.04 0.55 -0.16 -0.55 0.00 0.00 0.00 175.10 174.90 2p5x s SER 142 N -0.40 3.46 0.11 3.32 0.15 0.21 -4.98 113.70 115.57 2p5x s SER 142 Ca 0.09 -0.56 0.11 0.00 0.70 0.00 0.00 55.95 56.28 2p5x s SER 142 Cb -0.12 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 2p5x s SER 142 CO 0.02 0.01 -0.27 -1.83 1.20 0.00 0.00 173.24 172.37 2p5x s GLU 143 N 1.24 1.51 0.32 5.44 -1.05 -1.26 -0.21 118.70 124.69 2p5x s GLU 143 Ca 0.03 -1.28 -0.15 0.00 -0.15 0.00 0.00 54.97 53.42 2p5x s GLU 143 Cb -0.14 -1.92 0.03 0.00 -0.44 0.00 0.00 34.13 31.66 2p5x s GLU 143 CO -0.08 0.47 0.66 -0.59 0.95 0.00 0.00 175.26 176.66 2p5x s PHE 144 N -0.99 0.22 0.20 4.83 -0.12 -0.50 -5.03 117.98 116.59 2p5x s PHE 144 Ca 0.13 -0.70 -0.12 0.00 -0.05 0.00 0.00 56.93 56.19 2p5x s PHE 144 Cb -0.10 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 42.82 2p5x s PHE 144 CO 0.05 -1.30 0.39 1.52 -0.05 0.00 0.00 175.22 175.84 2p5x s TYR 145 N -3.23 0.31 -0.00 3.49 -0.85 -1.26 -0.88 117.35 114.93 2p5x s TYR 145 Ca 0.18 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 56.07 2p5x s TYR 145 Cb -0.04 0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.40 2p5x s TYR 145 CO 0.11 -0.85 -0.03 -2.00 -1.52 0.00 0.00 175.55 171.26 2p5x s GLU 146 N -3.97 0.29 -0.06 -3.49 2.56 -0.95 -5.02 118.70 108.06 2p5x s GLU 146 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 54.97 55.08 2p5x s GLU 146 Cb 0.01 -0.29 -0.02 0.00 2.00 0.00 0.00 34.13 35.83 2p5x s GLU 146 CO 0.03 0.06 -0.18 -2.00 -0.56 0.00 0.00 175.26 172.61 2p5x s GLU 147 N 0.01 2.58 -0.04 4.30 2.12 -1.26 -2.34 118.70 124.07 2p5x s GLU 147 Ca 0.00 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.59 2p5x s GLU 147 Cb -0.02 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 32.05 2p5x s GLU 147 CO -0.00 0.51 -0.10 0.99 -0.54 0.00 0.00 175.26 176.11 2p5x s THR 148 N -0.45 0.92 -0.05 -1.70 2.01 -0.50 -4.36 115.64 111.52 2p5x s THR 148 Ca 0.05 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 2p5x s THR 148 Cb -0.12 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 2p5x s THR 148 CO 0.02 0.29 0.47 -0.54 -0.69 0.00 0.00 174.62 174.16 2p5x s LYS 149 N 0.36 4.17 -0.10 4.92 1.02 0.32 -0.39 119.74 130.04 2p5x s LYS 149 Ca -0.07 0.48 -0.00 0.00 0.02 0.00 0.00 55.97 56.40 2p5x s LYS 149 Cb -0.11 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2p5x s LYS 149 CO 0.01 0.42 -0.07 0.08 -0.92 0.00 0.00 175.35 174.87 2p5x s VAL 150 N -0.23 0.98 -0.17 3.17 1.01 0.64 -0.50 120.40 125.30 2p5x s VAL 150 Ca 0.26 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2p5x s VAL 150 Cb -0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2p5x s VAL 150 CO 0.13 0.36 0.09 -0.75 0.00 0.00 0.00 175.10 174.92 2p5x s LYS 151 N 1.60 3.88 0.16 2.72 2.20 -0.09 -0.88 119.74 129.32 2p5x s LYS 151 Ca 0.03 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.25 2p5x s LYS 151 Cb -0.13 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 2p5x s LYS 151 CO -0.07 0.39 0.48 -0.06 -0.36 0.00 0.00 175.35 175.73 2p5x s PHE 152 N 0.07 3.52 0.94 4.03 0.40 -0.69 0.38 117.98 126.62 2p5x s PHE 152 Ca 0.07 0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 57.11 2p5x s PHE 152 Cb -0.12 -2.21 0.15 0.00 0.51 0.00 0.00 43.02 41.35 2p5x s PHE 152 CO 0.00 0.40 1.11 -1.54 0.70 0.00 0.00 175.22 175.89 2p5x s SER 153 N -2.07 3.19 -0.49 1.36 1.04 -0.35 -3.26 113.70 113.12 2p5x s SER 153 Ca 0.40 1.12 -0.28 0.00 0.48 0.00 0.00 55.95 57.67 2p5x s SER 153 Cb -0.13 -1.76 0.01 0.00 0.10 0.00 0.00 66.02 64.25 2p5x s SER 153 CO 0.20 -2.77 1.40 -1.61 0.98 0.00 0.00 173.24 171.44 2p5x s GLU 154 N -5.11 3.43 -0.11 4.02 2.02 -1.26 -1.62 118.70 120.07 2p5x s GLU 154 Ca 0.64 0.66 -0.14 0.00 0.02 0.00 0.00 54.97 56.16 2p5x s GLU 154 Cb -0.17 -4.07 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 2p5x s GLU 154 CO 0.55 -1.76 0.32 -0.51 0.02 0.00 0.00 175.26 173.89 2p5x s LEU 155 N 5.73 4.32 0.68 1.80 2.01 -1.26 -4.96 118.68 127.00 2p5x s LEU 155 Ca 0.56 0.65 -0.13 0.00 0.01 0.00 0.00 54.13 55.22 2p5x s LEU 155 Cb -0.12 -2.43 0.01 0.00 0.01 0.00 0.00 46.19 43.66 2p5x s LEU 155 CO 0.29 0.18 1.08 -0.94 1.01 0.00 0.00 176.35 177.96 2p5x s SER 156 N -0.05 5.23 0.39 2.29 1.04 -1.26 -4.88 113.70 116.46 2p5x s SER 156 Ca 0.19 1.78 0.11 0.00 0.48 0.00 0.00 55.95 58.52 2p5x s SER 156 Cb -0.14 -2.52 0.91 0.00 0.10 0.00 0.00 66.02 64.37 2p5x s SER 156 CO 0.07 -1.55 1.90 -0.08 0.98 0.00 0.00 173.24 174.56 2p5x h GLU 157 N -0.39 0.56 -0.08 4.02 4.57 -2.00 -1.84 114.58 119.43 2p5x h GLU 157 Ca -0.45 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.65 2p5x h GLU 157 Cb 1.22 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2p5x h GLU 157 CO 0.55 0.37 -0.13 0.93 -1.18 0.00 0.00 179.01 179.56 2p5x h GLU 158 N 0.58 0.23 -0.84 1.92 3.07 -2.00 -2.99 114.58 114.54 2p5x h GLU 158 Ca 0.40 -0.14 0.04 0.00 -0.50 0.00 0.00 59.36 59.16 2p5x h GLU 158 Cb 0.72 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.59 2p5x h GLU 158 CO -0.16 0.70 0.55 1.25 -1.40 0.00 0.00 179.01 179.96 2p5x h LEU 159 N -0.23 0.88 0.12 1.33 5.85 -1.86 -2.19 115.31 119.21 2p5x h LEU 159 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2p5x h LEU 159 Cb 0.68 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2p5x h LEU 159 CO 0.03 0.59 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.60 2p5x h LEU 160 N 1.01 -0.13 -0.99 2.25 3.38 -1.34 -2.38 115.31 117.10 2p5x h LEU 160 Ca 0.34 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2p5x h LEU 160 Cb 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2p5x h LEU 160 CO -0.11 0.32 -0.42 -0.50 0.09 0.00 0.00 178.44 177.82 2p5x h TRP 161 N -0.62 0.00 0.00 1.13 4.06 -1.57 -0.96 115.95 117.99 2p5x h TRP 161 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2p5x h TRP 161 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2p5x h TRP 161 CO 0.07 0.42 0.00 0.39 -3.56 0.00 0.00 178.44 175.76 2p5x n GLU 162 N -3.67 0.02 -0.11 0.49 4.71 -0.83 -1.90 120.64 119.35 2p5x n GLU 162 Ca -0.01 0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 57.29 2p5x n GLU 162 Cb 0.51 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.29 2p5x n GLU 162 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2p5x n TYR 163 N -1.48 0.03 0.02 -0.32 9.36 -0.62 -4.45 117.16 119.70 2p5x n TYR 163 Ca 0.03 0.01 -0.12 0.00 3.32 0.00 0.00 57.90 61.14 2p5x n TYR 163 Cb 0.14 -1.00 -0.09 0.00 -0.63 0.00 0.00 39.34 37.76 2p5x n TYR 163 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2p5x h VAL 164 N 0.00 1.13 0.00 2.97 2.07 -0.92 -3.24 116.25 118.26 2p5x h VAL 164 Ca -0.56 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2p5x h VAL 164 Cb 2.10 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 2p5x h VAL 164 CO -0.02 0.29 0.00 1.41 0.02 0.00 0.00 177.57 179.27 2p5x n HIS 165 N -4.87 0.29 1.51 1.57 8.25 -0.80 -0.91 115.22 120.26 2p5x n HIS 165 Ca -0.08 0.14 0.15 0.00 -0.26 0.00 0.00 57.72 57.66 2p5x n HIS 165 Cb 0.28 -0.72 0.72 0.00 1.12 0.00 0.00 29.99 31.39 2p5x n HIS 165 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2p5x n SER 166 N -1.79 0.25 0.00 0.41 3.41 -1.22 -4.93 113.62 109.75 2p5x n SER 166 Ca 0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2p5x n SER 166 Cb 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2p5x n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p5x n GLY 167 N 1.24 3.00 0.35 5.00 0.00 -0.09 -4.93 105.19 109.76 2p5x n GLY 167 Ca 0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.38 2p5x n GLY 167 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2p5x h GLU 168 N 1.24 0.47 0.00 1.61 4.22 -1.80 -2.46 114.58 117.86 2p5x h GLU 168 Ca 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 2p5x h GLU 168 Cb 0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2p5x h GLU 168 CO 0.00 0.31 -0.11 -1.35 -2.18 0.00 0.00 179.01 175.68 2p5x h PRO 169 N 0.49 0.00 -0.32 0.92 0.11 -1.79 -3.39 132.00 128.01 2p5x h PRO 169 Ca 0.67 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.74 2p5x h PRO 169 Cb 1.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.50 2p5x h PRO 169 CO -0.50 0.11 0.05 0.52 -0.21 0.00 0.00 178.00 177.97 2p5x h MET 170 N 0.00 0.48 -0.41 1.05 2.86 -1.76 -2.36 114.93 114.79 2p5x h MET 170 Ca -0.00 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2p5x h MET 170 Cb 0.46 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2p5x h MET 170 CO 0.01 0.47 0.02 -0.40 1.06 0.00 0.00 176.91 178.08 2p5x n ASP 171 N -4.33 4.59 -4.20 1.22 5.75 -1.26 -4.39 116.55 113.93 2p5x n ASP 171 Ca 0.01 -3.03 -0.26 0.00 -0.01 0.00 0.00 54.79 51.50 2p5x n ASP 171 Cb 0.20 -0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 39.52 2p5x n ASP 171 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2p5x s LYS 172 N -2.84 1.60 0.17 0.11 1.02 -0.89 -4.99 119.74 113.92 2p5x s LYS 172 Ca 0.48 -0.70 -0.32 0.00 0.02 0.00 0.00 55.97 55.45 2p5x s LYS 172 Cb 0.38 -1.54 -0.11 0.00 -0.52 0.00 0.00 37.83 36.03 2p5x s LYS 172 CO 0.11 0.42 1.76 0.00 -0.92 0.00 0.00 175.35 176.72 2p5x s ALA 173 N -0.44 3.86 0.00 5.17 0.00 -1.26 -1.38 121.76 127.70 2p5x s ALA 173 Ca 0.07 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2p5x s ALA 173 Cb -0.08 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2p5x s ALA 173 CO -0.01 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2p5x n GLY 174 N 4.07 0.43 2.50 0.00 0.00 -0.23 -3.92 105.19 108.04 2p5x n GLY 174 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.72 -0.18 3.19 -0.02 0.00 -0.48 -4.41 105.19 101.57 2p5x n GLY 175 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.89 -0.01 0.29 1.61 -0.85 -1.25 -4.31 117.35 109.93 2p5x s TYR 176 Ca 0.14 -0.14 0.12 0.00 -0.52 0.00 0.00 57.07 56.66 2p5x s TYR 176 Cb -0.06 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 2p5x s TYR 176 CO 0.17 -0.42 -0.19 0.20 -1.52 0.00 0.00 175.55 173.79 2p5x s GLY 177 N -1.89 1.92 0.63 5.49 0.00 -1.26 -4.63 107.32 107.58 2p5x s GLY 177 Ca -0.07 -1.90 0.25 0.00 0.00 0.00 0.00 44.72 42.99 2p5x s GLY 177 CO -0.02 -1.98 1.70 -2.22 0.00 0.00 0.00 173.10 170.58 2p5x h ILE 178 N 2.24 0.13 -3.22 0.90 1.08 -1.95 -3.50 117.51 113.19 2p5x h ILE 178 Ca -0.40 0.00 -0.66 0.00 -0.39 0.00 0.00 64.86 63.40 2p5x h ILE 178 Cb 1.26 0.47 -0.15 0.00 -3.07 0.00 0.00 36.82 35.33 2p5x h ILE 178 CO 0.61 0.00 -0.60 -1.10 -0.69 0.00 0.00 178.15 176.37 2p5x s GLN 179 N -4.31 3.28 -0.26 2.37 -0.21 -1.26 -4.88 119.66 114.39 2p5x s GLN 179 Ca -0.03 -0.37 0.21 0.00 0.02 0.00 0.00 55.36 55.19 2p5x s GLN 179 Cb 0.10 -2.93 0.50 0.00 1.00 0.00 0.00 33.01 31.69 2p5x s GLN 179 CO 0.35 0.60 1.12 0.41 -2.12 0.00 0.00 175.29 175.65 2p5x n GLY 183 N 2.49 2.26 1.30 3.09 0.00 -1.26 -4.80 105.19 108.27 2p5x n GLY 183 Ca -0.18 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.70 2p5x n GLY 183 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2p5x n MET 184 N -0.61 2.87 -0.19 1.61 2.81 -1.26 -4.38 117.12 117.98 2p5x n MET 184 Ca 0.11 -2.42 -0.09 0.00 -1.81 0.00 0.00 57.70 53.49 2p5x n MET 184 Cb 0.82 -1.63 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2p5x n MET 184 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2p5x h LEU 185 N 3.74 0.85 -9.29 4.03 3.38 -1.91 -3.43 115.31 112.68 2p5x h LEU 185 Ca 0.00 -0.26 -0.57 0.00 0.09 0.00 0.00 57.88 57.15 2p5x h LEU 185 Cb 1.05 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2p5x h LEU 185 CO 0.08 0.89 0.25 -0.69 0.09 0.00 0.00 178.44 179.06 2p5x s VAL 186 N -5.22 4.95 -0.18 1.22 1.01 -1.26 -1.21 120.40 119.72 2p5x s VAL 186 Ca -0.13 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 2p5x s VAL 186 Cb 0.12 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 2p5x s VAL 186 CO 0.81 0.15 0.20 1.21 0.00 0.00 0.00 175.10 177.46 2p5x n GLU 187 N 4.40 0.67 -3.69 2.72 2.13 0.16 -4.73 120.64 122.30 2p5x n GLU 187 Ca 0.02 0.35 -0.12 0.00 0.66 0.00 0.00 57.16 58.07 2p5x n GLU 187 Cb 0.50 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 2p5x n GLU 187 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2p5x s SER 188 N -6.97 -0.23 0.13 4.31 1.04 -1.06 -5.00 113.70 105.92 2p5x s SER 188 Ca -0.27 -0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.16 2p5x s SER 188 Cb 0.07 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2p5x s SER 188 CO 0.67 -0.67 -0.23 0.68 0.98 0.00 0.00 173.24 174.67 2p5x s VAL 189 N -2.67 2.52 -0.31 5.02 -7.23 -1.26 -0.92 120.40 115.55 2p5x s VAL 189 Ca -0.04 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2p5x s VAL 189 Cb -0.00 -2.14 0.10 0.00 0.56 0.00 0.00 36.38 34.90 2p5x s VAL 189 CO -0.04 0.09 0.11 -1.00 -0.31 0.00 0.00 175.10 173.95 2p5x s HIS 190 N -1.11 1.28 -3.64 2.82 3.76 0.35 -4.98 115.29 113.77 2p5x s HIS 190 Ca 0.16 -1.49 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 2p5x s HIS 190 Cb -0.10 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.12 2p5x s HIS 190 CO 0.08 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.52 2p5x n GLY 191 N 4.94 0.79 3.68 -2.22 0.00 -1.26 -0.52 105.19 110.60 2p5x n GLY 191 Ca -0.03 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 6.53 0.03 1.61 2.15 -1.26 -4.93 116.67 116.81 2p5x s ASP 192 Ca 0.00 2.57 -0.23 0.00 0.43 0.00 0.00 52.55 55.32 2p5x s ASP 192 Cb 0.00 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.90 2p5x s ASP 192 CO 0.00 -0.95 1.41 0.15 -0.17 0.00 0.00 175.17 175.62 2p5x h PHE 193 N 8.77 0.16 -0.22 -5.34 3.57 -1.97 -3.23 116.94 118.68 2p5x h PHE 193 Ca -0.44 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 2p5x h PHE 193 Cb 1.21 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2p5x h PHE 193 CO 0.81 0.46 -0.02 -0.07 -2.23 0.00 0.00 178.31 177.27 2p5x h LEU 194 N -0.18 0.30 -0.82 0.59 3.38 -1.92 -1.72 115.31 114.93 2p5x h LEU 194 Ca 0.02 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.13 2p5x h LEU 194 Cb 0.41 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2p5x h LEU 194 CO 0.01 0.37 0.29 -1.13 0.09 0.00 0.00 178.44 178.06 2p5x h ASN 195 N 0.32 0.18 -0.34 -0.43 -1.24 -1.56 -1.73 115.58 110.79 2p5x h ASN 195 Ca 0.07 0.15 -0.09 0.00 0.71 0.00 0.00 56.30 57.14 2p5x h ASN 195 Cb 0.24 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 2p5x h ASN 195 CO 0.01 -0.01 -0.11 0.58 -1.29 0.00 0.00 177.43 176.61 2p5x h VAL 196 N 0.35 1.26 0.00 2.57 2.07 -1.37 -2.62 116.25 118.50 2p5x h VAL 196 Ca 0.48 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2p5x h VAL 196 Cb 0.86 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2p5x h VAL 196 CO -0.51 0.40 0.00 0.58 0.02 0.00 0.00 177.57 178.05 2p5x h VAL 197 N 0.70 0.00 0.00 2.57 2.07 -1.15 -3.46 116.25 116.98 2p5x h VAL 197 Ca 0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2p5x h VAL 197 Cb 0.58 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2p5x h VAL 197 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2p5x n GLY 198 N -0.20 0.39 3.41 2.17 0.00 -0.90 -4.69 105.19 105.37 2p5x n GLY 198 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.08 -0.96 -1.18 1.61 5.36 -0.95 -4.84 117.98 115.95 2p5x s PHE 199 Ca 0.00 1.78 -0.18 0.00 -0.96 0.00 0.00 56.93 57.57 2p5x s PHE 199 Cb 0.00 0.47 0.09 0.00 -0.34 0.00 0.00 43.02 43.24 2p5x s PHE 199 CO 0.00 -0.53 1.55 -1.25 -1.46 0.00 0.00 175.22 173.53 2p5x s PRO 200 N 2.50 3.87 0.11 10.12 0.04 -1.26 -3.12 135.00 147.25 2p5x s PRO 200 Ca -0.04 -1.87 -0.20 0.00 0.04 0.00 0.00 61.00 58.92 2p5x s PRO 200 Cb -0.11 -5.34 -0.08 0.00 0.04 0.00 0.00 34.50 29.00 2p5x s PRO 200 CO -0.15 -2.11 1.73 1.25 0.04 0.00 0.00 177.00 177.77 2p5x h LEU 201 N 11.87 0.21 -0.34 -3.56 5.85 -1.98 -0.40 115.31 126.95 2p5x h LEU 201 Ca 0.33 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2p5x h LEU 201 Cb 0.92 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2p5x h LEU 201 CO 1.38 0.19 0.11 -1.13 -0.34 0.00 0.00 178.44 178.65 2p5x h ASN 202 N 0.20 0.12 -0.50 1.25 -0.73 -2.00 0.26 115.58 114.19 2p5x h ASN 202 Ca 0.06 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.16 2p5x h ASN 202 Cb 0.02 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 2p5x h ASN 202 CO -0.01 0.10 -0.09 -0.74 -0.37 0.00 0.00 177.43 176.32 2p5x h HIS 203 N 0.25 1.08 -0.39 0.67 2.76 -1.94 -2.18 115.15 115.40 2p5x h HIS 203 Ca 0.15 -0.21 0.07 0.00 -2.20 0.00 0.00 60.37 58.18 2p5x h HIS 203 Cb 0.13 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.76 2p5x h HIS 203 CO -0.14 1.01 0.04 0.35 -1.30 0.00 0.00 177.93 177.88 2p5x h PHE 204 N 0.87 0.06 -0.68 5.26 3.57 -0.35 0.32 116.94 126.00 2p5x h PHE 204 Ca 0.14 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2p5x h PHE 204 Cb 0.64 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2p5x h PHE 204 CO 0.04 -0.03 0.11 0.00 -2.23 0.00 0.00 178.31 176.20 2p5x h LYS 206 N 1.05 1.15 -0.78 0.00 1.57 -0.97 -2.35 116.57 116.25 2p5x h LYS 206 Ca 0.21 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2p5x h LYS 206 Cb 0.45 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2p5x h LYS 206 CO 0.01 0.76 0.27 1.96 -0.57 0.00 0.00 179.45 181.89 2p5x h GLN 207 N 1.19 1.19 -0.37 3.15 1.08 -0.27 -1.57 115.11 119.50 2p5x h GLN 207 Ca 0.36 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2p5x h GLN 207 Cb -0.03 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2p5x h GLN 207 CO -0.11 0.98 0.18 -0.07 -0.95 0.00 0.00 178.83 178.87 2p5x h LEU 208 N 1.14 0.49 -0.36 1.46 3.38 -1.05 -1.38 115.31 119.00 2p5x h LEU 208 Ca 0.25 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2p5x h LEU 208 Cb 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2p5x h LEU 208 CO -0.01 0.48 0.16 0.58 0.09 0.00 0.00 178.44 179.74 2p5x h VAL 209 N 0.47 0.95 -1.00 1.22 2.07 -1.30 -0.03 116.25 118.64 2p5x h VAL 209 Ca 0.13 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.69 2p5x h VAL 209 Cb 0.12 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 2p5x h VAL 209 CO -0.02 0.06 0.61 0.50 0.02 0.00 0.00 177.57 178.75 2p5x h LYS 210 N 0.34 0.83 0.00 1.57 3.64 -1.12 -0.57 116.57 121.25 2p5x h LYS 210 Ca 0.16 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 2p5x h LYS 210 Cb 0.09 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2p5x h LYS 210 CO -0.13 0.55 -0.97 -0.07 -2.27 0.00 0.00 179.45 176.56 2p5x h LEU 211 N 0.85 0.00 0.00 5.20 3.38 -0.44 -3.35 115.31 120.96 2p5x h LEU 211 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2p5x h LEU 211 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2p5x h LEU 211 CO -0.33 0.85 -1.25 -1.22 0.09 0.00 0.00 178.44 176.57 2p5x n TYR 212 N -3.26 0.00 -0.91 1.13 4.01 -0.10 -5.10 117.16 112.94 2p5x n TYR 212 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2p5x n TYR 212 Cb 0.89 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 2p5x n TYR 212 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06