#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2w s PRO 3 N -3.96 2.82 0.58 0.00 0.02 -1.26 -4.90 135.00 128.31 1x2w s PRO 3 Ca 0.41 1.84 0.28 0.00 0.02 0.00 0.00 61.00 63.55 1x2w s PRO 3 Cb -0.04 -1.91 1.60 0.00 0.02 0.00 0.00 34.50 34.18 1x2w s PRO 3 CO 0.25 -1.32 2.07 0.66 -0.33 0.00 0.00 177.00 178.33 1x2w h SER 4 N 0.69 0.00 0.37 2.53 4.64 -2.04 0.20 113.55 119.95 1x2w h SER 4 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1x2w h SER 4 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1x2w h SER 4 CO 0.54 0.00 -0.20 -0.90 -0.87 0.00 0.00 176.83 175.40 1x2w n ASP 5 N -3.86 0.65 -4.79 4.97 5.75 -1.26 -4.88 116.55 113.13 1x2w n ASP 5 Ca 0.03 -0.59 -0.22 0.00 -0.01 0.00 0.00 54.79 54.00 1x2w n ASP 5 Cb 0.38 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 1x2w n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1x2w s TRP 6 N -2.57 2.75 -0.10 2.11 0.52 0.06 -4.87 118.94 116.84 1x2w s TRP 6 Ca 0.24 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 56.00 1x2w s TRP 6 Cb 0.19 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1x2w s TRP 6 CO 0.52 0.21 -0.19 -1.12 0.02 0.00 0.00 176.95 176.38 1x2w s SER 7 N -3.94 2.63 0.30 2.95 0.01 0.33 -4.69 113.70 111.29 1x2w s SER 7 Ca 0.41 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 1x2w s SER 7 Cb -0.03 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.91 1x2w s SER 7 CO 0.25 0.09 0.68 -0.94 0.41 0.00 0.00 173.24 173.73 1x2w s SER 8 N 0.59 6.71 -0.29 2.44 1.04 -1.26 -0.52 113.70 122.40 1x2w s SER 8 Ca -0.14 1.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 1x2w s SER 8 Cb -0.17 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.82 1x2w s SER 8 CO 0.05 -0.18 0.78 -0.47 0.98 0.00 0.00 173.24 174.40 1x2w s TYR 9 N -1.96 -1.27 -0.92 5.02 6.14 -0.59 -4.98 117.35 118.78 1x2w s TYR 9 Ca 0.52 0.81 -0.06 0.00 0.64 0.00 0.00 57.07 58.98 1x2w s TYR 9 Cb -0.10 0.24 -0.03 0.00 0.42 0.00 0.00 41.96 42.49 1x2w s TYR 9 CO 0.19 -0.74 0.78 0.39 0.64 0.00 0.00 175.55 176.82 1x2w n GLU 10 N 5.31 -1.63 -1.28 4.97 1.02 -1.26 -3.18 120.64 124.60 1x2w n GLU 10 Ca 0.05 1.03 -0.10 0.00 -0.02 0.00 0.00 57.16 58.13 1x2w n GLU 10 Cb 0.55 -5.18 -0.04 0.00 -0.02 0.00 0.00 31.44 26.75 1x2w n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x2w n GLY 11 N -1.56 1.02 3.13 0.62 0.00 -1.26 -4.97 105.19 102.16 1x2w n GLY 11 Ca -0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1x2w n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x2w s HIS 12 N -2.05 1.00 -0.10 1.61 3.76 -1.19 0.76 115.29 119.08 1x2w s HIS 12 Ca 0.00 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1x2w s HIS 12 Cb 0.00 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1x2w s HIS 12 CO 0.00 -0.00 -0.15 0.00 -0.85 0.00 0.00 174.74 173.74 1x2w s TYR 14 N -0.05 1.60 -0.19 0.00 1.51 0.32 -1.73 117.35 118.81 1x2w s TYR 14 Ca -0.03 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 1x2w s TYR 14 Cb -0.14 -0.94 0.08 0.00 -0.11 0.00 0.00 41.96 40.85 1x2w s TYR 14 CO 0.04 0.08 0.43 0.21 -1.11 0.00 0.00 175.55 175.20 1x2w s LYS 15 N -1.25 0.36 0.39 -0.62 2.20 -0.57 -0.52 119.74 119.73 1x2w s LYS 15 Ca 0.05 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 1x2w s LYS 15 Cb -0.09 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.39 1x2w s LYS 15 CO 0.02 -0.22 0.76 -1.25 -0.36 0.00 0.00 175.35 174.30 1x2w s PRO 16 N 2.22 3.81 0.08 4.03 0.04 -1.26 0.06 135.00 143.98 1x2w s PRO 16 Ca -0.04 0.50 0.06 0.00 0.04 0.00 0.00 61.00 61.55 1x2w s PRO 16 Cb -0.11 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1x2w s PRO 16 CO -0.13 -0.01 -0.16 -0.06 0.04 0.00 0.00 177.00 176.68 1x2w s PHE 17 N -2.31 1.39 -0.12 0.56 0.40 0.14 -4.93 117.98 113.10 1x2w s PHE 17 Ca 0.52 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1x2w s PHE 17 Cb -0.10 -0.77 -0.24 0.00 0.51 0.00 0.00 43.02 42.41 1x2w s PHE 17 CO 0.29 0.10 0.36 -1.13 0.70 0.00 0.00 175.22 175.55 1x2w n SER 18 N 1.21 1.61 -4.57 1.36 3.41 -1.26 -3.09 113.62 112.29 1x2w n SER 18 Ca -0.21 0.21 -0.44 0.00 -0.26 0.00 0.00 58.87 58.18 1x2w n SER 18 Cb 0.54 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1x2w n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x2w n GLU 19 N -3.28 1.75 -1.77 4.33 -0.58 -1.26 -4.69 120.64 115.14 1x2w n GLU 19 Ca -0.29 0.46 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 1x2w n GLU 19 Cb 1.05 -3.11 -0.02 0.00 -0.57 0.00 0.00 31.44 28.79 1x2w n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1x2w s PRO 20 N 6.46 4.13 0.04 3.49 0.02 -1.26 -4.79 135.00 143.08 1x2w s PRO 20 Ca 1.03 2.58 -0.06 0.00 0.02 0.00 0.00 61.00 64.56 1x2w s PRO 20 Cb -0.42 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1x2w s PRO 20 CO 0.37 -0.68 0.12 0.15 -0.33 0.00 0.00 177.00 176.63 1x2w s LYS 21 N 0.21 0.60 0.95 5.54 1.02 -0.82 -4.80 119.74 122.44 1x2w s LYS 21 Ca 0.68 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.84 1x2w s LYS 21 Cb -0.48 0.24 0.16 0.00 -0.52 0.00 0.00 37.83 37.23 1x2w s LYS 21 CO 0.41 -0.15 1.10 0.54 -0.92 0.00 0.00 175.35 176.33 1x2w s ASN 22 N -2.06 3.04 0.16 2.83 6.03 -1.25 -2.22 114.94 121.46 1x2w s ASN 22 Ca -0.06 1.21 -0.18 0.00 -1.03 0.00 0.00 52.86 52.80 1x2w s ASN 22 Cb -0.02 -1.86 0.08 0.00 -3.03 0.00 0.00 41.25 36.42 1x2w s ASN 22 CO -0.04 -2.88 1.66 -0.25 -2.03 0.00 0.00 177.10 173.56 1x2w h TRP 23 N -1.72 -0.30 -0.30 1.54 7.01 -1.48 -1.95 115.95 118.76 1x2w h TRP 23 Ca -0.52 0.04 0.04 0.00 2.11 0.00 0.00 58.89 60.55 1x2w h TRP 23 Cb 1.32 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 28.53 1x2w h TRP 23 CO 0.33 -0.20 0.07 0.00 -2.79 0.00 0.00 178.44 175.84 1x2w h ALA 24 N 1.26 0.31 -0.23 2.65 0.00 -1.92 -1.64 119.26 119.69 1x2w h ALA 24 Ca 0.18 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1x2w h ALA 24 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x2w h ALA 24 CO -0.40 -0.34 -0.20 -0.44 0.00 0.00 0.00 179.25 177.87 1x2w h ASP 25 N 0.18 0.41 0.07 0.00 3.32 -1.87 -1.90 116.42 116.62 1x2w h ASP 25 Ca 0.14 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1x2w h ASP 25 Cb 0.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1x2w h ASP 25 CO -0.17 0.62 -0.03 0.00 -1.72 0.00 0.00 179.24 177.93 1x2w h ALA 26 N 1.42 -0.09 0.31 3.45 0.00 -0.97 0.08 119.26 123.46 1x2w h ALA 26 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x2w h ALA 26 Cb 0.56 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1x2w h ALA 26 CO 0.04 -0.40 -0.37 1.49 0.00 0.00 0.00 179.25 180.00 1x2w h GLU 27 N -0.39 -0.70 -0.81 0.00 4.57 -1.22 -0.24 114.58 115.80 1x2w h GLU 27 Ca -0.01 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.32 1x2w h GLU 27 Cb 0.34 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 1x2w h GLU 27 CO 0.02 -0.47 0.45 -0.97 -1.18 0.00 0.00 179.01 176.86 1x2w h ASN 28 N -0.72 0.62 -0.50 1.04 -0.00 -1.36 -0.53 115.58 114.13 1x2w h ASN 28 Ca -0.01 0.05 0.04 0.00 -0.00 0.00 0.00 56.30 56.38 1x2w h ASN 28 Cb 0.67 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.89 1x2w h ASN 28 CO -0.10 0.35 0.27 0.15 -0.00 0.00 0.00 177.43 178.09 1x2w h PHE 29 N 0.74 0.49 -0.75 0.67 3.04 -0.50 -2.19 116.94 118.45 1x2w h PHE 29 Ca 0.40 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.45 1x2w h PHE 29 Cb 0.39 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 38.69 1x2w h PHE 29 CO -0.07 0.26 0.40 0.00 -2.02 0.00 0.00 178.31 176.88 1x2w h THR 31 N 0.70 0.07 -0.16 0.00 1.35 -0.81 -1.39 112.91 112.67 1x2w h THR 31 Ca 0.36 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1x2w h THR 31 Cb 0.32 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1x2w h THR 31 CO -0.24 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.03 1x2w n GLN 32 N -3.18 2.09 0.02 4.72 6.02 0.02 -4.24 117.38 122.84 1x2w n GLN 32 Ca -0.03 -1.62 0.11 0.00 -0.01 0.00 0.00 57.00 55.45 1x2w n GLN 32 Cb 0.08 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1x2w n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1x2w n GLN 33 N 0.89 0.33 -3.65 -1.09 1.13 -0.52 -4.99 117.38 109.48 1x2w n GLN 33 Ca 0.17 -0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1x2w n GLN 33 Cb 0.48 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 1x2w n GLN 33 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1x2w s HIS 34 N -3.23 -0.03 0.22 1.08 2.46 -1.26 -5.07 115.29 109.46 1x2w s HIS 34 Ca 0.02 0.04 -0.31 0.00 0.47 0.00 0.00 55.06 55.28 1x2w s HIS 34 Cb 0.14 0.50 -0.15 0.00 -0.13 0.00 0.00 32.58 32.94 1x2w s HIS 34 CO 0.83 -0.02 1.22 0.00 -2.47 0.00 0.00 174.74 174.29 1x2w n ALA 35 N 0.60 -0.06 -1.73 1.58 0.00 -1.26 -1.37 120.51 118.27 1x2w n ALA 35 Ca -0.01 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 1x2w n ALA 35 Cb 0.59 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1x2w n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x2w n GLY 36 N 1.91 0.80 3.79 0.00 0.00 -1.26 -4.83 105.19 105.60 1x2w n GLY 36 Ca 0.13 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1x2w n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x2w s GLY 37 N -2.68 2.76 0.29 -0.02 0.00 -0.47 -4.55 107.32 102.66 1x2w s GLY 37 Ca 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.99 1x2w s GLY 37 CO 0.00 0.88 0.68 0.30 0.00 0.00 0.00 173.10 174.96 1x2w s HIS 38 N -1.60 -0.02 0.52 1.90 3.76 -0.79 -3.03 115.29 116.04 1x2w s HIS 38 Ca 0.49 -0.45 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 1x2w s HIS 38 Cb -0.18 0.61 -0.06 0.00 1.11 0.00 0.00 32.58 34.07 1x2w s HIS 38 CO 0.23 -1.24 1.22 -0.51 -0.85 0.00 0.00 174.74 173.59 1x2w s LEU 39 N -2.97 3.86 0.64 0.89 1.43 -1.26 -0.12 118.68 121.15 1x2w s LEU 39 Ca 0.14 2.44 -0.18 0.00 -1.03 0.00 0.00 54.13 55.50 1x2w s LEU 39 Cb -0.05 -4.37 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 1x2w s LEU 39 CO 0.08 -1.28 1.16 0.55 0.23 0.00 0.00 176.35 177.09 1x2w n VAL 40 N -0.97 4.47 -4.22 -1.59 3.14 -0.68 -4.34 118.33 114.14 1x2w n VAL 40 Ca 0.10 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.80 1x2w n VAL 40 Cb 0.48 -1.35 -0.12 0.00 -1.06 0.00 0.00 33.84 31.79 1x2w n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x2w s SER 41 N -1.35 1.60 -0.22 6.55 1.04 -1.26 -0.72 113.70 119.33 1x2w s SER 41 Ca 0.80 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 1x2w s SER 41 Cb -0.39 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1x2w s SER 41 CO 0.43 -0.05 -0.06 -0.36 0.98 0.00 0.00 173.24 174.18 1x2w s PHE 42 N -1.12 2.97 -0.74 5.02 0.08 -1.26 -4.94 117.98 117.98 1x2w s PHE 42 Ca -0.01 -1.12 0.16 0.00 0.12 0.00 0.00 56.93 56.08 1x2w s PHE 42 Cb -0.09 -2.08 -0.18 0.00 -0.57 0.00 0.00 43.02 40.10 1x2w s PHE 42 CO 0.02 -0.61 0.68 0.94 -0.10 0.00 0.00 175.22 176.15 1x2w n GLN 43 N 4.76 1.62 -3.94 0.44 -0.06 -1.26 -5.02 117.38 113.92 1x2w n GLN 43 Ca -0.18 -0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.72 1x2w n GLN 43 Cb 0.50 -1.27 -0.05 0.00 -4.06 0.00 0.00 30.24 25.36 1x2w n GLN 43 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1x2w s SER 44 N -2.56 -0.09 0.11 1.69 1.04 -1.26 -5.06 113.70 107.56 1x2w s SER 44 Ca 0.06 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.52 1x2w s SER 44 Cb 0.12 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 1x2w s SER 44 CO 0.67 -1.07 1.39 0.28 0.98 0.00 0.00 173.24 175.49 1x2w h SER 45 N 2.31 0.85 -0.55 7.02 0.02 -2.00 -2.88 113.55 118.32 1x2w h SER 45 Ca -0.28 -0.52 -0.07 0.00 -0.84 0.00 0.00 61.79 60.08 1x2w h SER 45 Cb 1.25 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1x2w h SER 45 CO 0.39 1.20 0.06 -0.33 -1.14 0.00 0.00 176.83 177.00 1x2w h GLU 46 N 0.52 0.93 -0.12 3.45 3.07 -1.99 -0.98 114.58 119.47 1x2w h GLU 46 Ca 0.02 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1x2w h GLU 46 Cb 1.02 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1x2w h GLU 46 CO 0.10 0.92 0.07 1.49 -1.40 0.00 0.00 179.01 180.18 1x2w h GLU 47 N 0.82 0.14 -0.84 2.33 4.81 -1.97 -0.44 114.58 119.43 1x2w h GLU 47 Ca 0.16 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1x2w h GLU 47 Cb 0.46 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1x2w h GLU 47 CO 0.02 0.09 0.52 0.00 -0.73 0.00 0.00 179.01 178.91 1x2w h ALA 48 N 1.05 1.07 -0.39 2.92 0.00 -1.37 -1.54 119.26 120.99 1x2w h ALA 48 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x2w h ALA 48 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1x2w h ALA 48 CO -0.02 0.51 0.20 -0.44 0.00 0.00 0.00 179.25 179.51 1x2w h ASP 49 N 1.15 0.29 -0.80 0.00 3.32 -0.73 0.12 116.42 119.77 1x2w h ASP 49 Ca 0.30 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.39 1x2w h ASP 49 Cb -0.07 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1x2w h ASP 49 CO -0.06 0.21 0.52 0.15 -1.72 0.00 0.00 179.24 178.34 1x2w h PHE 50 N 0.41 0.98 -0.45 4.55 3.57 -0.56 -1.24 116.94 124.19 1x2w h PHE 50 Ca 0.17 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1x2w h PHE 50 Cb 0.07 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1x2w h PHE 50 CO -0.10 0.58 -0.06 0.28 -2.23 0.00 0.00 178.31 176.78 1x2w h VAL 51 N 1.03 1.27 0.16 1.41 2.07 -0.72 -1.75 116.25 119.71 1x2w h VAL 51 Ca 0.31 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1x2w h VAL 51 Cb -0.04 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1x2w h VAL 51 CO -0.09 0.40 -0.08 0.58 0.02 0.00 0.00 177.57 178.40 1x2w h VAL 52 N 0.68 0.86 -0.53 2.57 2.07 -0.68 -0.69 116.25 120.53 1x2w h VAL 52 Ca 0.12 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1x2w h VAL 52 Cb 0.59 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1x2w h VAL 52 CO 0.04 0.02 0.06 0.50 0.02 0.00 0.00 177.57 178.21 1x2w h LYS 53 N -0.25 0.18 0.28 1.57 1.63 -1.19 -0.63 116.57 118.16 1x2w h LYS 53 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1x2w h LYS 53 Cb 0.20 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1x2w h LYS 53 CO 0.04 0.12 -0.15 1.25 -3.45 0.00 0.00 179.45 177.25 1x2w h LEU 54 N 0.19 -0.37 -0.58 5.20 5.85 -1.04 0.73 115.31 125.29 1x2w h LEU 54 Ca 0.27 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.12 1x2w h LEU 54 Cb 0.40 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1x2w h LEU 54 CO -0.39 -0.25 0.14 0.00 -0.34 0.00 0.00 178.44 177.59 1x2w h ALA 55 N 0.31 0.69 -0.09 1.25 0.00 -0.61 0.15 119.26 120.96 1x2w h ALA 55 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x2w h ALA 55 Cb 0.33 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x2w h ALA 55 CO 0.05 -0.29 0.02 0.35 0.00 0.00 0.00 179.25 179.38 1x2w h PHE 56 N 0.28 0.16 -0.63 0.00 3.57 -0.81 0.19 116.94 119.69 1x2w h PHE 56 Ca 0.30 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.87 1x2w h PHE 56 Cb 0.43 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1x2w h PHE 56 CO -0.23 0.32 0.42 1.96 -2.23 0.00 0.00 178.31 178.54 1x2w h GLN 57 N -0.05 0.50 0.10 1.11 4.20 -0.15 0.43 115.11 121.24 1x2w h GLN 57 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1x2w h GLN 57 Cb 0.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1x2w h GLN 57 CO -0.00 0.33 -0.05 1.15 -0.67 0.00 0.00 178.83 179.59 1x2w h THR 58 N 0.51 0.65 0.00 -0.54 2.02 -0.32 -3.42 112.91 111.81 1x2w h THR 58 Ca 0.28 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1x2w h THR 58 Cb 0.45 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1x2w h THR 58 CO -0.09 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1x2w n PHE 59 N -4.84 0.00 -4.36 3.16 3.72 0.62 -5.09 117.46 110.68 1x2w n PHE 59 Ca -0.05 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1x2w n PHE 59 Cb 0.21 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1x2w n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x2w n GLY 60 N -0.03 0.48 3.65 1.37 0.00 0.15 -4.72 105.19 106.09 1x2w n GLY 60 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1x2w n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x2w s HIS 61 N 0.00 1.79 -0.01 1.61 3.76 -1.26 -4.45 115.29 116.74 1x2w s HIS 61 Ca 0.00 0.12 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 1x2w s HIS 61 Cb 0.00 -4.00 0.10 0.00 1.11 0.00 0.00 32.58 29.79 1x2w s HIS 61 CO 0.00 -4.11 1.28 0.45 -0.85 0.00 0.00 174.74 171.51 1x2w s SER 62 N 4.02 -0.00 -0.00 1.40 0.15 -1.26 -5.03 113.70 112.97 1x2w s SER 62 Ca 0.78 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 57.28 1x2w s SER 62 Cb -0.34 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1x2w s SER 62 CO 0.32 -0.32 -0.20 0.27 1.20 0.00 0.00 173.24 174.51 1x2w s ILE 63 N -2.08 1.60 -0.02 6.45 -4.36 -1.26 -1.84 121.20 119.70 1x2w s ILE 63 Ca 0.27 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1x2w s ILE 63 Cb 0.00 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 1x2w s ILE 63 CO -0.01 0.38 -0.13 -0.36 0.24 0.00 0.00 174.94 175.07 1x2w s PHE 64 N -0.56 1.20 0.48 1.37 0.40 -0.31 -1.63 117.98 118.94 1x2w s PHE 64 Ca 0.08 -0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 55.92 1x2w s PHE 64 Cb -0.08 -0.79 -0.07 0.00 0.51 0.00 0.00 43.02 42.60 1x2w s PHE 64 CO -0.00 -0.05 1.29 -1.58 0.70 0.00 0.00 175.22 175.58 1x2w s TRP 65 N -0.19 2.59 0.31 0.36 0.23 0.37 -1.81 118.94 120.79 1x2w s TRP 65 Ca 0.03 1.43 0.10 0.00 -2.03 0.00 0.00 56.10 55.62 1x2w s TRP 65 Cb -0.06 -3.65 -0.05 0.00 0.03 0.00 0.00 33.47 29.74 1x2w s TRP 65 CO -0.00 -2.30 -0.06 1.41 0.96 0.00 0.00 176.95 176.97 1x2w s MET 66 N -2.68 1.99 0.00 4.98 1.75 -0.27 -3.86 119.30 121.20 1x2w s MET 66 Ca 0.65 -1.72 0.00 0.00 -1.25 0.00 0.00 55.69 53.38 1x2w s MET 66 Cb -0.36 -1.90 0.00 0.00 2.84 0.00 0.00 34.83 35.40 1x2w s MET 66 CO 0.44 0.23 0.56 0.41 -0.65 0.00 0.00 175.02 176.01 1x2w n GLY 67 N -0.84 1.22 3.24 2.11 0.00 0.10 -4.68 105.19 106.33 1x2w n GLY 67 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1x2w n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2w s LEU 68 N 0.00 2.51 0.34 0.99 1.43 -1.26 -5.01 118.68 117.68 1x2w s LEU 68 Ca 0.00 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1x2w s LEU 68 Cb 0.00 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 1x2w s LEU 68 CO 0.00 0.03 -0.01 -0.94 0.23 0.00 0.00 176.35 175.66 1x2w s SER 69 N 1.15 3.10 -0.87 2.29 1.04 -1.26 -1.46 113.70 117.70 1x2w s SER 69 Ca 0.01 -1.30 -0.19 0.00 0.48 0.00 0.00 55.95 54.95 1x2w s SER 69 Cb -0.14 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.77 1x2w s SER 69 CO -0.05 -0.44 0.35 0.59 0.98 0.00 0.00 173.24 174.68 1x2w n ASN 70 N -0.76 -1.98 0.23 7.02 5.03 -0.65 -4.80 115.26 119.35 1x2w n ASN 70 Ca -0.04 -0.88 0.10 0.00 0.87 0.00 0.00 54.58 54.63 1x2w n ASN 70 Cb 0.65 -1.06 0.53 0.00 -1.02 0.00 0.00 39.78 38.88 1x2w n ASN 70 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1x2w h VAL 71 N -0.80 0.62 -0.00 2.41 -1.51 -1.80 -3.27 116.25 111.90 1x2w h VAL 71 Ca -0.47 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1x2w h VAL 71 Cb 0.94 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1x2w h VAL 71 CO 0.38 0.21 0.00 0.79 -1.23 0.00 0.00 177.57 177.72 1x2w n TRP 72 N -3.50 0.00 0.21 5.19 8.01 -1.26 -4.67 117.44 121.42 1x2w n TRP 72 Ca -0.01 -0.02 0.05 0.00 -1.31 0.00 0.00 57.50 56.21 1x2w n TRP 72 Cb 0.38 -0.00 0.47 0.00 -2.01 0.00 0.00 31.31 30.15 1x2w n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1x2w h ASN 73 N 0.31 0.00 -0.18 -0.99 4.21 -1.92 -2.29 115.58 114.72 1x2w h ASN 73 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1x2w h ASN 73 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1x2w h ASN 73 CO 0.00 0.25 0.00 0.00 -1.29 0.00 0.00 177.43 176.39 1x2w n GLN 74 N -4.16 1.90 -1.87 0.81 1.13 -1.26 -4.91 117.38 109.01 1x2w n GLN 74 Ca -0.02 -1.34 -0.29 0.00 -1.94 0.00 0.00 57.00 53.40 1x2w n GLN 74 Cb 0.31 -1.43 0.07 0.00 0.11 0.00 0.00 30.24 29.30 1x2w n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x2w s ASN 76 N -4.46 6.60 0.00 0.00 3.04 -1.26 -5.02 114.94 113.85 1x2w s ASN 76 Ca 0.60 -2.21 -0.28 0.00 0.04 0.00 0.00 52.86 51.02 1x2w s ASN 76 Cb -0.11 -2.30 -0.04 0.00 -1.54 0.00 0.00 41.25 37.26 1x2w s ASN 76 CO 0.50 -0.86 0.88 0.26 -3.04 0.00 0.00 177.10 174.84 1x2w s TRP 77 N 1.61 3.67 -0.02 0.43 0.52 -1.26 -5.04 118.94 118.84 1x2w s TRP 77 Ca 0.22 1.57 -0.30 0.00 0.02 0.00 0.00 56.10 57.61 1x2w s TRP 77 Cb -0.11 -2.99 0.07 0.00 -1.15 0.00 0.00 33.47 29.30 1x2w s TRP 77 CO -0.06 0.08 0.68 -0.65 0.02 0.00 0.00 176.95 177.02 1x2w s GLN 78 N 0.68 1.07 0.16 4.98 -0.21 -1.26 -4.96 119.66 120.12 1x2w s GLN 78 Ca 0.46 0.14 -0.30 0.00 0.02 0.00 0.00 55.36 55.67 1x2w s GLN 78 Cb -0.20 0.50 -0.07 0.00 1.00 0.00 0.00 33.01 34.23 1x2w s GLN 78 CO 0.25 -0.36 1.18 -1.58 -2.12 0.00 0.00 175.29 172.66 1x2w s TRP 79 N -1.60 3.46 0.53 0.91 0.52 -1.26 -4.92 118.94 116.58 1x2w s TRP 79 Ca -0.09 1.43 0.41 0.00 0.02 0.00 0.00 56.10 57.88 1x2w s TRP 79 Cb -0.00 -3.40 2.23 0.00 -1.15 0.00 0.00 33.47 31.16 1x2w s TRP 79 CO 0.06 -1.10 2.26 0.66 0.02 0.00 0.00 176.95 178.85 1x2w h SER 80 N 5.57 0.00 -0.39 2.95 4.64 -2.01 0.29 113.55 124.61 1x2w h SER 80 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1x2w h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1x2w h SER 80 CO 0.76 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.26 1x2w n ASN 81 N -2.96 2.16 -1.67 4.97 6.94 -1.26 -4.92 115.26 118.52 1x2w n ASN 81 Ca -0.03 -1.98 -0.19 0.00 -0.02 0.00 0.00 54.58 52.37 1x2w n ASN 81 Cb 0.07 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 1x2w n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x2w n ALA 82 N 0.68 -0.38 -1.80 -2.53 0.00 0.10 -4.99 120.51 111.60 1x2w n ALA 82 Ca 0.14 0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1x2w n ALA 82 Cb 0.35 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1x2w n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2w s ALA 83 N -2.77 3.13 0.16 0.00 0.00 -1.26 -4.97 121.76 116.05 1x2w s ALA 83 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 1x2w s ALA 83 Cb 0.00 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 1x2w s ALA 83 CO 0.00 0.12 1.71 -1.64 0.00 0.00 0.00 175.76 175.95 1x2w s MET 84 N -2.52 4.15 -0.45 0.00 -1.94 -1.26 -4.31 119.30 112.97 1x2w s MET 84 Ca 0.55 2.52 -0.28 0.00 -1.71 0.00 0.00 55.69 56.77 1x2w s MET 84 Cb -0.15 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.41 1x2w s MET 84 CO 0.20 -0.74 1.45 -1.17 -0.01 0.00 0.00 175.02 174.74 1x2w s LEU 85 N 1.75 3.52 0.21 -0.03 0.20 -1.26 -4.71 118.68 118.37 1x2w s LEU 85 Ca 0.75 0.69 0.00 0.00 0.69 0.00 0.00 54.13 56.27 1x2w s LEU 85 Cb -0.46 -3.39 0.00 0.00 -0.43 0.00 0.00 46.19 41.91 1x2w s LEU 85 CO 0.33 -1.55 0.00 0.54 -0.29 0.00 0.00 176.35 175.38 1x2w n ARG 86 N 8.28 0.00 -2.26 1.98 5.12 -1.26 -5.03 116.66 123.48 1x2w n ARG 86 Ca 0.16 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.66 1x2w n ARG 86 Cb 0.48 -0.21 -0.03 0.00 -1.16 0.00 0.00 32.46 31.54 1x2w n ARG 86 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1x2w s TYR 87 N -2.00 2.95 0.07 -1.55 5.04 -1.26 -5.01 117.35 115.59 1x2w s TYR 87 Ca 0.00 0.90 0.09 0.00 -2.44 0.00 0.00 57.07 55.62 1x2w s TYR 87 Cb 0.00 -3.62 -0.03 0.00 0.35 0.00 0.00 41.96 38.66 1x2w s TYR 87 CO 0.00 -2.23 -0.22 0.15 -1.34 0.00 0.00 175.55 171.90 1x2w s LYS 88 N 2.22 1.82 -0.32 4.97 3.01 -1.26 -5.04 119.74 125.14 1x2w s LYS 88 Ca 0.63 -1.12 0.16 0.00 -1.01 0.00 0.00 55.97 54.63 1x2w s LYS 88 Cb -0.31 -2.06 0.45 0.00 -1.01 0.00 0.00 37.83 34.90 1x2w s LYS 88 CO 0.26 0.51 1.25 0.00 0.51 0.00 0.00 175.35 177.88 1x2w n ALA 89 N 1.40 2.60 -1.93 5.17 0.00 -1.26 -5.13 120.51 121.36 1x2w n ALA 89 Ca -0.17 -2.04 -0.42 0.00 0.00 0.00 0.00 53.44 50.82 1x2w n ALA 89 Cb 0.52 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1x2w n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1x2w s TRP 90 N -1.77 3.06 0.19 0.00 0.52 -1.26 -4.91 118.94 114.77 1x2w s TRP 90 Ca 0.21 0.91 -0.06 0.00 0.02 0.00 0.00 56.10 57.19 1x2w s TRP 90 Cb 0.40 -3.83 0.11 0.00 -1.15 0.00 0.00 33.47 29.01 1x2w s TRP 90 CO -0.06 -2.82 1.56 0.00 0.02 0.00 0.00 176.95 175.65 1x2w h ALA 91 N 5.73 0.76 -3.67 0.98 0.00 -2.05 -3.43 119.26 117.57 1x2w h ALA 91 Ca -0.45 -0.43 -0.35 0.00 0.00 0.00 0.00 54.91 53.69 1x2w h ALA 91 Cb 1.21 -0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 1x2w h ALA 91 CO 0.82 0.65 -0.76 -1.21 0.00 0.00 0.00 179.25 178.76 1x2w s GLU 92 N -4.40 0.64 0.01 0.00 0.41 -1.26 -5.07 118.70 109.02 1x2w s GLU 92 Ca -0.09 -0.53 0.05 0.00 -0.41 0.00 0.00 54.97 53.99 1x2w s GLU 92 Cb 0.12 -0.56 -0.24 0.00 -1.78 0.00 0.00 34.13 31.67 1x2w s GLU 92 CO 0.85 0.14 0.86 1.05 -0.49 0.00 0.00 175.26 177.66 1x2w h GLU 93 N 5.27 0.10 -2.47 1.61 4.11 -2.03 -3.48 114.58 117.69 1x2w h GLU 93 Ca -0.33 -0.17 -0.09 0.00 0.07 0.00 0.00 59.36 58.84 1x2w h GLU 93 Cb 1.19 0.06 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 1x2w h GLU 93 CO 0.46 0.86 -0.03 -1.54 0.07 0.00 0.00 179.01 178.83 1x2w s SER 94 N -6.59 -0.46 0.13 3.06 1.04 -1.26 -4.92 113.70 104.69 1x2w s SER 94 Ca -0.06 0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.97 1x2w s SER 94 Cb 0.08 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1x2w s SER 94 CO 0.83 -0.49 -0.10 -0.31 0.98 0.00 0.00 173.24 174.15 1x2w s TYR 95 N -1.05 2.70 0.11 5.02 1.51 -1.26 -1.16 117.35 123.23 1x2w s TYR 95 Ca -0.11 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1x2w s TYR 95 Cb -0.03 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1x2w s TYR 95 CO 0.06 0.45 -0.12 0.00 -1.11 0.00 0.00 175.55 174.83 1x2w s VAL 97 N -2.33 5.13 0.23 0.00 1.01 -0.53 -1.55 120.40 122.36 1x2w s VAL 97 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1x2w s VAL 97 Cb -0.04 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1x2w s VAL 97 CO 0.02 0.50 0.19 -0.72 0.00 0.00 0.00 175.10 175.09 1x2w s TYR 98 N -0.50 1.26 0.05 5.22 1.13 -0.72 -1.12 117.35 122.68 1x2w s TYR 98 Ca 0.22 -1.42 0.01 0.00 -1.41 0.00 0.00 57.07 54.47 1x2w s TYR 98 Cb -0.16 -0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 40.12 1x2w s TYR 98 CO 0.11 -0.72 -0.05 -0.59 -2.51 0.00 0.00 175.55 171.79 1x2w s PHE 99 N -3.97 0.59 -0.06 -3.49 -0.12 -0.75 -1.43 117.98 108.75 1x2w s PHE 99 Ca 0.39 -0.79 -0.02 0.00 -0.05 0.00 0.00 56.93 56.45 1x2w s PHE 99 Cb 0.05 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1x2w s PHE 99 CO 0.16 -0.22 0.07 -1.59 -0.05 0.00 0.00 175.22 173.59 1x2w s LYS 100 N -2.87 3.12 0.00 1.99 -2.85 -1.26 -1.16 119.74 116.71 1x2w s LYS 100 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1x2w s LYS 100 Cb -0.00 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 1x2w s LYS 100 CO -0.04 0.70 0.69 -1.13 0.10 0.00 0.00 175.35 175.66 1x2w n SER 101 N 1.70 0.00 0.05 0.03 3.41 -0.77 -2.07 113.62 115.96 1x2w n SER 101 Ca -0.17 0.23 0.04 0.00 -0.26 0.00 0.00 58.87 58.72 1x2w n SER 101 Cb 0.54 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1x2w n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x2w n THR 102 N -1.19 0.94 -3.81 6.66 -2.24 -1.26 -4.44 114.28 108.94 1x2w n THR 102 Ca 0.00 -0.64 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1x2w n THR 102 Cb 0.16 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1x2w n THR 102 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x2w s ASN 103 N -5.56 -0.23 -0.18 3.42 6.03 -0.88 -5.06 114.94 112.48 1x2w s ASN 103 Ca -0.03 -0.59 0.07 0.00 -1.03 0.00 0.00 52.86 51.28 1x2w s ASN 103 Cb 0.09 0.60 0.47 0.00 -3.03 0.00 0.00 41.25 39.38 1x2w s ASN 103 CO 0.81 -1.11 1.34 -0.46 -2.03 0.00 0.00 177.10 175.65 1x2w n ASN 104 N -0.37 3.75 -4.75 3.54 0.23 -1.26 -4.15 115.26 112.26 1x2w n ASN 104 Ca -0.07 -2.68 -0.40 0.00 -0.53 0.00 0.00 54.58 50.89 1x2w n ASN 104 Cb 0.62 -0.64 -0.05 0.00 -2.08 0.00 0.00 39.78 37.62 1x2w n ASN 104 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1x2w s LYS 105 N -2.04 4.73 0.01 -3.83 1.02 -1.26 -5.02 119.74 113.34 1x2w s LYS 105 Ca 0.33 1.39 -0.29 0.00 0.02 0.00 0.00 55.97 57.42 1x2w s LYS 105 Cb 0.26 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1x2w s LYS 105 CO 0.09 0.40 0.94 -1.58 -0.92 0.00 0.00 175.35 174.27 1x2w s TRP 106 N -0.65 3.67 0.25 3.18 0.52 -1.26 -4.51 118.94 120.13 1x2w s TRP 106 Ca 0.42 1.65 0.07 0.00 0.02 0.00 0.00 56.10 58.26 1x2w s TRP 106 Cb -0.24 -3.07 -0.05 0.00 -1.15 0.00 0.00 33.47 28.96 1x2w s TRP 106 CO 0.30 0.03 -0.09 1.03 0.02 0.00 0.00 176.95 178.24 1x2w s ARG 107 N 0.84 1.45 0.08 4.98 0.52 -0.52 -5.01 118.95 121.30 1x2w s ARG 107 Ca 0.49 -1.70 0.07 0.00 -0.52 0.00 0.00 55.73 54.07 1x2w s ARG 107 Cb -0.21 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 1x2w s ARG 107 CO 0.27 0.08 -0.15 -1.54 0.02 0.00 0.00 175.30 173.98 1x2w s SER 108 N -3.39 4.05 -0.16 0.23 1.04 -1.26 -1.76 113.70 112.46 1x2w s SER 108 Ca 0.27 -0.44 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 1x2w s SER 108 Cb 0.02 -0.68 0.05 0.00 0.10 0.00 0.00 66.02 65.51 1x2w s SER 108 CO 0.10 0.21 0.53 -0.60 0.98 0.00 0.00 173.24 174.45 1x2w s ARG 109 N -1.91 0.69 0.16 4.02 3.52 -0.60 -4.96 118.95 119.87 1x2w s ARG 109 Ca 0.18 0.56 -0.34 0.00 -0.13 0.00 0.00 55.73 56.00 1x2w s ARG 109 Cb -0.11 0.33 -0.14 0.00 -1.56 0.00 0.00 34.95 33.47 1x2w s ARG 109 CO 0.10 -0.12 1.51 0.00 -0.81 0.00 0.00 175.30 175.97 1x2w n ALA 110 N 2.35 0.91 0.29 6.12 0.00 -1.26 0.07 120.51 128.98 1x2w n ALA 110 Ca -0.15 0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1x2w n ALA 110 Cb 0.56 -2.29 0.84 0.00 0.00 0.00 0.00 19.45 18.57 1x2w n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2w h ARG 112 N 0.00 0.00 -7.48 0.00 0.11 -1.89 -1.91 114.38 103.21 1x2w h ARG 112 Ca -0.00 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.62 1x2w h ARG 112 Cb 0.04 0.00 0.14 0.00 1.11 0.00 0.00 29.97 31.26 1x2w h ARG 112 CO 0.00 0.05 0.28 -1.64 0.10 0.00 0.00 179.97 178.76 1x2w s MET 113 N -3.37 0.92 0.24 0.08 -1.94 -0.70 -4.69 119.30 109.83 1x2w s MET 113 Ca 0.04 0.29 0.07 0.00 -1.71 0.00 0.00 55.69 54.38 1x2w s MET 113 Cb 0.07 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1x2w s MET 113 CO 0.63 -2.35 0.16 -1.64 -0.01 0.00 0.00 175.02 171.82 1x2w s MET 114 N -5.25 2.84 0.02 2.03 -1.94 -1.26 -3.89 119.30 111.84 1x2w s MET 114 Ca 0.65 -1.07 -0.28 0.00 -1.71 0.00 0.00 55.69 53.27 1x2w s MET 114 Cb -0.15 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.26 1x2w s MET 114 CO 0.54 0.41 0.97 0.00 -0.01 0.00 0.00 175.02 176.93 1x2w s ALA 115 N -2.10 -1.83 1.03 3.03 0.00 -0.94 -4.87 121.76 116.07 1x2w s ALA 115 Ca 0.32 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 1x2w s ALA 115 Cb -0.08 0.42 0.21 0.00 0.00 0.00 0.00 23.12 23.67 1x2w s ALA 115 CO 0.24 -0.81 1.14 1.04 0.00 0.00 0.00 175.76 177.37 1x2w n GLN 116 N -0.31 -1.38 -3.67 0.00 6.02 -0.64 -1.94 117.38 115.44 1x2w n GLN 116 Ca -0.07 -1.77 -0.05 0.00 -0.01 0.00 0.00 57.00 55.10 1x2w n GLN 116 Cb 0.61 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 1x2w n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1x2w s PHE 117 N -3.45 -0.20 -0.07 1.08 -0.71 -1.18 -0.48 117.98 112.97 1x2w s PHE 117 Ca 0.66 -0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.56 1x2w s PHE 117 Cb -0.02 0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1x2w s PHE 117 CO 0.47 -0.74 -0.24 0.08 -1.34 0.00 0.00 175.22 173.44 1x2w s VAL 118 N -3.24 2.03 0.28 -2.49 1.01 -1.25 0.26 120.40 117.00 1x2w s VAL 118 Ca 0.10 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1x2w s VAL 118 Cb -0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1x2w s VAL 118 CO -0.02 0.56 0.26 0.00 0.00 0.00 0.00 175.10 175.90 1x2w s GLU 120 N -3.92 0.76 0.01 0.00 2.12 0.83 -1.51 118.70 116.99 1x2w s GLU 120 Ca 0.36 0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.69 1x2w s GLU 120 Cb -0.07 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1x2w s GLU 120 CO 0.26 -0.20 0.27 -0.59 -0.54 0.00 0.00 175.26 174.46 1x2w s PHE 121 N -0.95 -0.10 0.62 5.30 -0.12 -0.70 -1.88 117.98 120.16 1x2w s PHE 121 Ca -0.10 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.74 1x2w s PHE 121 Cb -0.03 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 1x2w s PHE 121 CO 0.05 -0.41 1.00 -1.14 -0.05 0.00 0.00 175.22 174.68 1x2w s GLN 122 N -1.82 3.29 0.00 1.99 0.74 -1.26 -0.52 119.66 122.08 1x2w s GLN 122 Ca -0.10 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.81 1x2w s GLN 122 Cb -0.04 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 31.95 1x2w s GLN 122 CO 0.01 -0.68 0.00 0.00 -0.55 0.00 0.00 175.29 174.07