#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrg n GLU 50 N 0.00 0.00 -0.69 5.31 1.02 -1.26 -4.93 120.64 120.09 1nrg n GLU 50 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1nrg n GLU 50 Cb 0.00 -0.06 0.17 0.00 -0.02 0.00 0.00 31.44 31.53 1nrg n GLU 50 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nrg n THR 51 N 0.54 1.82 -2.81 2.62 5.66 -1.26 -4.93 114.28 115.92 1nrg n THR 51 Ca 0.00 -2.78 -0.10 0.00 -3.05 0.00 0.00 64.05 58.12 1nrg n THR 51 Cb 0.00 -0.04 0.05 0.00 -1.55 0.00 0.00 70.33 68.79 1nrg n THR 51 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1nrg n HIS 52 N -0.88 -1.44 -4.34 1.09 -0.00 -1.26 -5.06 115.22 103.33 1nrg n HIS 52 Ca 0.17 0.58 -0.23 0.00 -0.00 0.00 0.00 57.72 58.23 1nrg n HIS 52 Cb 0.76 -3.82 -0.11 0.00 -0.00 0.00 0.00 29.99 26.81 1nrg n HIS 52 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nrg s LEU 53 N -4.68 2.41 -0.18 2.41 1.43 -1.26 -5.03 118.68 113.79 1nrg s LEU 53 Ca 0.09 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1nrg s LEU 53 Cb -0.01 -0.89 -0.22 0.00 0.03 0.00 0.00 46.19 45.10 1nrg s LEU 53 CO 0.46 0.00 0.13 0.41 0.23 0.00 0.00 176.35 177.59 1nrg n THR 54 N 0.42 1.60 -3.89 5.49 -1.04 -1.26 -5.00 114.28 110.61 1nrg n THR 54 Ca -0.14 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 61.11 1nrg n THR 54 Cb 0.56 -1.39 -0.09 0.00 -1.82 0.00 0.00 70.33 67.60 1nrg n THR 54 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nrg s SER 55 N -6.55 0.10 0.00 8.00 0.15 -1.26 -5.02 113.70 109.12 1nrg s SER 55 Ca -0.24 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.23 1nrg s SER 55 Cb 0.08 0.24 0.50 0.00 -1.71 0.00 0.00 66.02 65.13 1nrg s SER 55 CO 0.72 -0.50 1.43 0.18 1.20 0.00 0.00 173.24 176.27 1nrg n LEU 56 N 0.88 2.83 -4.49 3.45 4.77 -1.26 -4.62 117.00 118.55 1nrg n LEU 56 Ca -0.20 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.22 1nrg n LEU 56 Cb 0.58 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1nrg n LEU 56 CO 0.22 0.57 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.17 1nrg s ASP 57 N -1.64 6.10 0.41 -1.43 -1.08 -1.26 -2.02 116.67 115.77 1nrg s ASP 57 Ca 0.35 -0.65 0.14 0.00 -0.52 0.00 0.00 52.55 51.86 1nrg s ASP 57 Cb 0.21 -2.16 0.99 0.00 -1.46 0.00 0.00 42.92 40.50 1nrg s ASP 57 CO 0.30 -0.37 1.93 -0.65 0.52 0.00 0.00 175.17 176.90 1nrg h PRO 58 N 8.57 0.46 -0.24 4.34 0.11 -1.95 -0.58 132.00 142.72 1nrg h PRO 58 Ca -0.29 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 1nrg h PRO 58 Cb 1.14 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1nrg h PRO 58 CO 0.70 0.31 -0.31 0.28 -0.21 0.00 0.00 178.00 178.76 1nrg h VAL 59 N 0.48 1.28 0.00 3.15 2.07 -1.94 -0.30 116.25 120.99 1nrg h VAL 59 Ca 0.35 -1.38 -0.17 0.00 0.82 0.00 0.00 66.70 66.32 1nrg h VAL 59 Cb 0.71 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1nrg h VAL 59 CO -0.12 0.44 -0.81 0.11 0.02 0.00 0.00 177.57 177.21 1nrg h LYS 60 N 0.42 0.00 -0.10 1.57 1.57 -1.63 -2.03 116.57 116.37 1nrg h LYS 60 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1nrg h LYS 60 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1nrg h LYS 60 CO 0.06 0.81 -0.56 0.37 -0.57 0.00 0.00 179.45 179.56 1nrg h GLN 61 N 0.00 0.30 -0.49 3.15 5.75 -0.74 -2.47 115.11 120.61 1nrg h GLN 61 Ca -0.01 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.20 1nrg h GLN 61 Cb 1.44 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.00 1nrg h GLN 61 CO 0.11 0.78 -0.09 0.35 -2.65 0.00 0.00 178.83 177.32 1nrg h PHE 62 N 0.23 1.04 -0.75 3.99 3.04 -0.93 -2.23 116.94 121.34 1nrg h PHE 62 Ca 0.00 -0.22 0.03 0.00 3.98 0.00 0.00 57.97 61.76 1nrg h PHE 62 Cb 1.05 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1nrg h PHE 62 CO 0.02 1.00 0.48 0.00 -2.02 0.00 0.00 178.31 177.79 1nrg h ALA 63 N 0.90 0.98 -0.26 2.41 0.00 -1.11 0.60 119.26 122.78 1nrg h ALA 63 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nrg h ALA 63 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nrg h ALA 63 CO 0.04 0.28 0.09 0.00 0.00 0.00 0.00 179.25 179.67 1nrg h ALA 64 N 1.31 0.33 -0.47 0.00 0.00 -1.25 -1.14 119.26 118.05 1nrg h ALA 64 Ca 0.30 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1nrg h ALA 64 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nrg h ALA 64 CO -0.10 -0.06 -0.15 -1.49 0.00 0.00 0.00 179.25 177.45 1nrg h TRP 65 N 0.26 1.00 -0.06 0.00 4.06 -0.92 -2.17 115.95 118.11 1nrg h TRP 65 Ca 0.08 -0.21 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 1nrg h TRP 65 Cb 0.21 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1nrg h TRP 65 CO -0.00 0.97 0.03 0.35 -3.56 0.00 0.00 178.44 176.23 1nrg h PHE 66 N 0.79 0.08 -0.66 0.49 3.57 0.31 -1.60 116.94 119.92 1nrg h PHE 66 Ca 0.12 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.70 1nrg h PHE 66 Cb 0.68 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 1nrg h PHE 66 CO 0.04 0.14 0.31 1.49 -2.23 0.00 0.00 178.31 178.06 1nrg h GLU 67 N -0.01 0.53 -0.92 1.11 4.81 -1.12 0.90 114.58 119.87 1nrg h GLU 67 Ca 0.02 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1nrg h GLU 67 Cb 0.09 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1nrg h GLU 67 CO -0.00 0.35 0.60 0.93 -0.73 0.00 0.00 179.01 180.16 1nrg h GLU 68 N 0.54 1.16 -0.55 1.92 5.08 -0.91 0.21 114.58 122.02 1nrg h GLU 68 Ca 0.32 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1nrg h GLU 68 Cb 0.34 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1nrg h GLU 68 CO -0.26 0.76 -0.10 0.00 -1.00 0.00 0.00 179.01 178.42 1nrg h ALA 69 N 1.36 0.75 -0.86 3.43 0.00 -0.26 -1.61 119.26 122.08 1nrg h ALA 69 Ca 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nrg h ALA 69 Cb -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1nrg h ALA 69 CO -0.10 0.66 0.44 0.28 0.00 0.00 0.00 179.25 180.53 1nrg h VAL 70 N 0.92 1.26 0.00 0.00 2.07 -0.24 -2.02 116.25 118.24 1nrg h VAL 70 Ca 0.14 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nrg h VAL 70 Cb 0.67 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1nrg h VAL 70 CO 0.05 0.30 -0.10 1.56 0.02 0.00 0.00 177.57 179.40 1nrg h GLN 71 N 1.21 0.00 -6.21 1.57 4.20 -0.05 -3.43 115.11 112.39 1nrg h GLN 71 Ca 0.30 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.43 1nrg h GLN 71 Cb 0.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 1nrg h GLN 71 CO -0.04 0.10 0.82 0.00 -0.67 0.00 0.00 178.83 179.03 1nrg n PRO 73 N 6.66 0.11 -0.04 0.00 -0.04 -1.26 -2.39 135.00 138.04 1nrg n PRO 73 Ca 0.12 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 1nrg n PRO 73 Cb 0.47 -1.76 0.37 0.00 -0.04 0.00 0.00 33.50 32.54 1nrg n PRO 73 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nrg n ASP 74 N -1.97 2.04 -4.42 3.54 8.00 -1.26 -4.77 116.55 117.72 1nrg n ASP 74 Ca 0.01 -1.71 -0.37 0.00 0.71 0.00 0.00 54.79 53.44 1nrg n ASP 74 Cb 0.13 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1nrg n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nrg s ILE 75 N -1.89 4.26 -0.01 0.53 1.01 -1.01 -4.90 121.20 119.19 1nrg s ILE 75 Ca 0.35 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1nrg s ILE 75 Cb 0.20 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1nrg s ILE 75 CO 0.31 0.23 0.67 1.23 0.00 0.00 0.00 174.94 177.38 1nrg h GLY 76 N 8.26 -0.37 -7.66 6.18 0.00 -1.87 -3.42 103.07 104.19 1nrg h GLY 76 Ca -0.36 0.14 -0.65 0.00 0.00 0.00 0.00 47.33 46.46 1nrg h GLY 76 CO 0.59 -0.13 -0.74 -0.54 0.00 0.00 0.00 176.54 175.72 1nrg s GLU 77 N -2.96 1.51 0.48 4.80 2.02 -1.26 -4.97 118.70 118.33 1nrg s GLU 77 Ca -0.05 -1.69 0.24 0.00 0.02 0.00 0.00 54.97 53.49 1nrg s GLU 77 Cb 0.01 -3.02 1.24 0.00 0.10 0.00 0.00 34.13 32.46 1nrg s GLU 77 CO 0.16 -0.88 2.00 0.00 0.02 0.00 0.00 175.26 176.55 1nrg h ALA 78 N 7.69 1.28 -0.02 5.21 0.00 -1.89 -2.05 119.26 129.48 1nrg h ALA 78 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nrg h ALA 78 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nrg h ALA 78 CO 0.50 0.22 0.00 0.27 0.00 0.00 0.00 179.25 180.24 1nrg n ASN 79 N -3.70 1.10 -4.74 0.00 2.04 -1.26 -4.87 115.26 103.83 1nrg n ASN 79 Ca -0.02 -1.39 -0.41 0.00 -0.44 0.00 0.00 54.58 52.32 1nrg n ASN 79 Cb 0.29 -0.01 -0.03 0.00 -2.53 0.00 0.00 39.78 37.51 1nrg n ASN 79 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nrg s ALA 80 N -1.99 3.55 0.10 -2.53 0.00 -0.77 -0.41 121.76 119.72 1nrg s ALA 80 Ca 0.40 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 1nrg s ALA 80 Cb 0.21 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1nrg s ALA 80 CO 0.34 -0.59 0.19 0.00 0.00 0.00 0.00 175.76 175.69 1nrg s MET 81 N -0.17 0.88 -0.22 0.00 0.23 0.72 -4.65 119.30 116.08 1nrg s MET 81 Ca 0.57 -1.02 -0.07 0.00 -1.03 0.00 0.00 55.69 54.14 1nrg s MET 81 Cb -0.38 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.22 1nrg s MET 81 CO 0.39 -0.28 0.07 0.00 -2.03 0.00 0.00 175.02 173.18 1nrg s LEU 83 N 1.16 4.02 -0.21 0.00 2.96 0.11 -1.64 118.68 125.08 1nrg s LEU 83 Ca 0.04 0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1nrg s LEU 83 Cb -0.14 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1nrg s LEU 83 CO 0.03 -0.06 0.07 0.00 -1.32 0.00 0.00 176.35 175.07 1nrg s ALA 84 N 1.77 3.29 0.36 5.97 0.00 -0.19 -2.24 121.76 130.72 1nrg s ALA 84 Ca 0.07 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1nrg s ALA 84 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1nrg s ALA 84 CO 0.11 -0.12 0.13 0.95 0.00 0.00 0.00 175.76 176.83 1nrg s THR 85 N 0.93 0.60 0.05 0.00 -4.23 -0.87 -1.68 115.64 110.44 1nrg s THR 85 Ca 0.04 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.28 1nrg s THR 85 Cb -0.14 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1nrg s THR 85 CO 0.03 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 174.88 1nrg s THR 87 N -3.18 3.29 0.34 0.00 -4.23 -0.61 -4.75 115.64 106.51 1nrg s THR 87 Ca 0.02 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.00 1nrg s THR 87 Cb -0.01 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 71.07 1nrg s THR 87 CO -0.09 -0.55 1.92 -0.09 -0.54 0.00 0.00 174.62 175.27 1nrg h ARG 88 N -1.10 0.82 0.00 3.99 9.65 -1.90 -1.91 114.38 123.93 1nrg h ARG 88 Ca -0.46 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1nrg h ARG 88 Cb 1.25 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1nrg h ARG 88 CO 0.56 0.54 0.00 -3.47 2.80 0.00 0.00 179.97 180.40 1nrg n ASP 89 N -4.51 0.00 -0.19 -3.80 2.03 -1.26 -4.88 116.55 103.94 1nrg n ASP 89 Ca 0.14 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1nrg n ASP 89 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1nrg n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nrg n GLY 90 N 0.68 1.02 3.18 0.27 0.00 -0.72 -5.07 105.19 104.55 1nrg n GLY 90 Ca 0.18 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1nrg n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrg s LYS 91 N -2.72 2.37 0.59 1.61 -0.14 -1.25 -4.91 119.74 115.28 1nrg s LYS 91 Ca 0.00 -1.38 -0.13 0.00 -1.36 0.00 0.00 55.97 53.10 1nrg s LYS 91 Cb 0.00 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.76 1nrg s LYS 91 CO 0.00 -0.74 1.02 -1.25 -0.76 0.00 0.00 175.35 173.62 1nrg s PRO 92 N 1.26 3.69 0.16 -1.68 0.04 -1.26 -1.57 135.00 135.64 1nrg s PRO 92 Ca -0.01 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 1nrg s PRO 92 Cb -0.20 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1nrg s PRO 92 CO -0.01 -0.49 0.37 -1.54 0.04 0.00 0.00 177.00 175.37 1nrg s SER 93 N -3.79 -0.09 -0.07 6.66 1.04 -0.20 -4.95 113.70 112.31 1nrg s SER 93 Ca 0.56 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1nrg s SER 93 Cb -0.11 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.58 1nrg s SER 93 CO 0.46 -0.92 0.79 0.00 0.98 0.00 0.00 173.24 174.56 1nrg s ALA 94 N -3.90 -1.82 0.10 5.32 0.00 -1.26 -2.04 121.76 118.16 1nrg s ALA 94 Ca 0.11 1.34 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 1nrg s ALA 94 Cb 0.02 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1nrg s ALA 94 CO -0.04 -0.39 0.79 -0.98 0.00 0.00 0.00 175.76 175.13 1nrg s ARG 95 N -1.43 1.12 0.36 0.00 3.03 -0.95 -4.98 118.95 116.10 1nrg s ARG 95 Ca -0.06 -0.48 -0.24 0.00 2.03 0.00 0.00 55.73 56.98 1nrg s ARG 95 Cb -0.00 0.47 -0.10 0.00 -1.03 0.00 0.00 34.95 34.29 1nrg s ARG 95 CO 0.05 -0.50 0.96 -1.64 -1.13 0.00 0.00 175.30 173.04 1nrg s MET 96 N -3.43 4.43 0.23 3.89 -1.94 -1.26 0.10 119.30 121.33 1nrg s MET 96 Ca 0.05 1.30 -0.11 0.00 -1.71 0.00 0.00 55.69 55.22 1nrg s MET 96 Cb -0.02 -2.60 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 1nrg s MET 96 CO -0.07 0.14 0.42 -0.51 -0.01 0.00 0.00 175.02 174.99 1nrg s LEU 97 N -2.43 0.47 -0.12 -0.03 1.43 0.14 -4.87 118.68 113.27 1nrg s LEU 97 Ca 0.54 -0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1nrg s LEU 97 Cb -0.17 1.54 -0.02 0.00 0.03 0.00 0.00 46.19 47.57 1nrg s LEU 97 CO 0.21 -1.08 -0.07 -0.76 0.23 0.00 0.00 176.35 174.89 1nrg s LEU 98 N -3.03 3.10 0.11 1.79 1.43 -1.26 -0.20 118.68 120.62 1nrg s LEU 98 Ca 0.24 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1nrg s LEU 98 Cb 0.01 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 1nrg s LEU 98 CO 0.09 0.22 1.16 -0.22 0.23 0.00 0.00 176.35 177.83 1nrg s LEU 99 N 0.03 4.42 -0.55 1.79 2.96 0.45 -4.61 118.68 123.18 1nrg s LEU 99 Ca -0.01 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.02 1nrg s LEU 99 Cb -0.14 -3.59 0.31 0.00 0.50 0.00 0.00 46.19 43.27 1nrg s LEU 99 CO 0.03 -0.37 0.82 0.29 -1.32 0.00 0.00 176.35 175.80 1nrg n LYS 100 N 3.22 2.47 0.00 1.98 4.76 0.16 -4.90 118.16 125.85 1nrg n LYS 100 Ca 0.06 -4.44 0.00 0.00 -2.87 0.00 0.00 58.31 51.06 1nrg n LYS 100 Cb 0.46 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1nrg n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nrg n GLY 101 N 0.32 2.84 3.43 0.72 0.00 -1.25 -4.57 105.19 106.67 1nrg n GLY 101 Ca 0.29 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1nrg n GLY 101 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nrg s PHE 102 N -1.37 -0.50 0.00 1.61 -0.12 -1.26 -1.01 117.98 115.33 1nrg s PHE 102 Ca 0.00 0.67 0.00 0.00 -0.05 0.00 0.00 56.93 57.55 1nrg s PHE 102 Cb 0.00 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1nrg s PHE 102 CO 0.00 -0.64 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 1nrg n GLY 103 N 0.55 1.41 0.24 1.99 0.00 -0.88 -4.97 105.19 103.52 1nrg n GLY 103 Ca -0.19 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 1nrg n GLY 103 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nrg h LYS 104 N 0.00 0.50 0.00 1.61 1.63 -2.02 -2.89 116.57 115.40 1nrg h LYS 104 Ca 0.00 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 1nrg h LYS 104 Cb 0.00 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1nrg h LYS 104 CO 0.00 0.69 -0.16 -0.44 -3.45 0.00 0.00 179.45 176.09 1nrg h ASP 105 N 0.45 0.00 -2.54 4.20 3.32 -1.96 -3.47 116.42 116.42 1nrg h ASP 105 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nrg h ASP 105 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1nrg h ASP 105 CO 0.05 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 1nrg n GLY 106 N -0.41 0.91 3.46 2.75 0.00 -1.09 -4.24 105.19 106.57 1nrg n GLY 106 Ca -0.01 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1nrg n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nrg s PHE 107 N -2.36 3.08 -0.06 1.61 0.40 -0.28 -2.07 117.98 118.29 1nrg s PHE 107 Ca 0.00 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1nrg s PHE 107 Cb 0.00 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1nrg s PHE 107 CO 0.00 -0.29 0.00 1.03 0.70 0.00 0.00 175.22 176.66 1nrg s ARG 108 N 1.33 2.92 0.15 0.44 0.52 -0.18 -0.29 118.95 123.84 1nrg s ARG 108 Ca 0.05 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 1nrg s ARG 108 Cb -0.15 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.60 1nrg s ARG 108 CO 0.03 0.68 0.41 -0.59 0.02 0.00 0.00 175.30 175.84 1nrg s PHE 109 N -0.95 -0.07 0.06 -0.53 -0.71 -0.87 0.40 117.98 115.31 1nrg s PHE 109 Ca 0.15 -0.27 0.07 0.00 -1.04 0.00 0.00 56.93 55.84 1nrg s PHE 109 Cb -0.11 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1nrg s PHE 109 CO 0.05 -0.76 -0.19 -0.06 -1.34 0.00 0.00 175.22 172.92 1nrg s PHE 110 N -3.85 1.64 0.20 3.49 0.40 -1.26 -1.13 117.98 117.47 1nrg s PHE 110 Ca 0.07 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.80 1nrg s PHE 110 Cb 0.01 -0.95 0.07 0.00 0.51 0.00 0.00 43.02 42.67 1nrg s PHE 110 CO -0.07 0.10 1.02 -0.08 0.70 0.00 0.00 175.22 176.89 1nrg s THR 111 N -0.92 0.00 -0.23 0.64 -1.32 -0.49 -4.94 115.64 108.38 1nrg s THR 111 Ca 0.05 -0.62 -0.19 0.00 -1.21 0.00 0.00 61.69 59.72 1nrg s THR 111 Cb -0.09 -2.93 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 1nrg s THR 111 CO 0.02 0.00 0.57 0.21 -2.21 0.00 0.00 174.62 173.21 1nrg s ASN 112 N -3.40 6.56 0.59 8.08 3.84 -1.26 -1.71 114.94 127.64 1nrg s ASN 112 Ca 0.22 0.68 0.29 0.00 0.21 0.00 0.00 52.86 54.26 1nrg s ASN 112 Cb -0.03 -2.31 1.73 0.00 -0.55 0.00 0.00 41.25 40.09 1nrg s ASN 112 CO 0.06 -0.27 2.16 -0.26 -2.79 0.00 0.00 177.10 175.99 1nrg h PHE 113 N 7.70 0.00 -0.27 0.43 0.05 -0.23 -0.74 116.94 123.88 1nrg h PHE 113 Ca -0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.49 1nrg h PHE 113 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.09 1nrg h PHE 113 CO 0.73 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 179.25 1nrg n GLU 114 N -3.79 1.83 -1.43 1.51 1.02 -1.26 -2.91 120.64 115.61 1nrg n GLU 114 Ca -0.00 -1.26 -0.29 0.00 -0.02 0.00 0.00 57.16 55.58 1nrg n GLU 114 Cb 0.24 -1.36 0.17 0.00 -0.02 0.00 0.00 31.44 30.48 1nrg n GLU 114 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nrg s SER 115 N -1.31 2.72 0.29 1.62 1.04 -0.28 -4.78 113.70 113.00 1nrg s SER 115 Ca 0.29 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.55 1nrg s SER 115 Cb 0.16 -1.27 0.44 0.00 0.10 0.00 0.00 66.02 65.45 1nrg s SER 115 CO 0.22 -3.03 1.83 -0.09 0.98 0.00 0.00 173.24 173.16 1nrg h ARG 116 N -1.83 0.76 -0.07 4.02 1.12 -1.87 -1.26 114.38 115.25 1nrg h ARG 116 Ca -0.49 -0.16 -0.18 0.00 -1.11 0.00 0.00 59.98 58.03 1nrg h ARG 116 Cb 1.31 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1nrg h ARG 116 CO 0.52 0.71 -0.74 1.57 -3.11 0.00 0.00 179.97 178.92 1nrg h LYS 117 N 0.73 0.40 -0.61 0.20 2.10 -1.92 -2.67 116.57 114.80 1nrg h LYS 117 Ca 0.16 -0.33 -0.10 0.00 -2.00 0.00 0.00 60.65 58.38 1nrg h LYS 117 Cb 0.32 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 1nrg h LYS 117 CO 0.00 0.97 -0.01 0.78 -2.00 0.00 0.00 179.45 179.19 1nrg h GLY 118 N 1.30 1.17 1.91 0.07 0.00 -1.63 0.07 103.07 105.95 1nrg h GLY 118 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.33 1nrg h GLY 118 CO 0.13 0.80 -0.46 0.50 0.00 0.00 0.00 176.54 177.50 1nrg h LYS 119 N 0.98 0.10 -0.08 4.80 1.57 -1.11 -2.08 116.57 120.75 1nrg h LYS 119 Ca 0.17 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 1nrg h LYS 119 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1nrg h LYS 119 CO 0.03 0.55 -0.58 0.93 -0.57 0.00 0.00 179.45 179.81 1nrg h GLU 120 N 0.08 0.54 -0.67 3.15 5.08 -1.09 -2.79 114.58 118.89 1nrg h GLU 120 Ca 0.00 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1nrg h GLU 120 Cb 0.85 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1nrg h GLU 120 CO 0.06 1.10 0.23 -0.07 -1.00 0.00 0.00 179.01 179.33 1nrg h LEU 121 N 0.13 0.96 -1.32 1.33 3.38 -0.91 -0.52 115.31 118.35 1nrg h LEU 121 Ca -0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1nrg h LEU 121 Cb 1.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1nrg h LEU 121 CO 0.12 0.90 -0.08 0.44 0.09 0.00 0.00 178.44 179.91 1nrg h ASP 122 N 0.97 0.34 0.45 -0.43 5.19 -1.43 0.89 116.42 122.39 1nrg h ASP 122 Ca 0.22 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1nrg h ASP 122 Cb 0.27 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1nrg h ASP 122 CO -0.01 0.46 -0.84 -1.54 -3.12 0.00 0.00 179.24 174.19 1nrg n SER 123 N -4.27 0.63 -2.82 6.45 3.41 -1.05 -4.65 113.62 111.32 1nrg n SER 123 Ca 0.00 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.27 1nrg n SER 123 Cb 0.26 0.60 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1nrg n SER 123 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1nrg n ASN 124 N -1.81 -2.97 -3.07 4.04 5.15 -0.22 -4.78 115.26 111.59 1nrg n ASN 124 Ca 0.03 -2.97 -0.07 0.00 -0.60 0.00 0.00 54.58 50.97 1nrg n ASN 124 Cb 0.40 1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 41.15 1nrg n ASN 124 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1nrg n PRO 125 N 2.55 0.22 -3.97 1.20 -0.04 0.28 -4.43 135.00 130.80 1nrg n PRO 125 Ca 0.17 -0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 62.85 1nrg n PRO 125 Cb 0.57 -2.10 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 1nrg n PRO 125 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nrg s PHE 126 N 5.03 0.23 0.20 0.54 0.40 -1.26 -1.63 117.98 121.49 1nrg s PHE 126 Ca 0.11 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 1nrg s PHE 126 Cb 0.03 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.41 1nrg s PHE 126 CO 0.03 -0.06 0.42 0.00 0.70 0.00 0.00 175.22 176.32 1nrg s ALA 127 N -0.52 -0.34 0.03 5.36 0.00 -0.98 -4.55 121.76 120.76 1nrg s ALA 127 Ca -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1nrg s ALA 127 Cb -0.04 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1nrg s ALA 127 CO -0.00 -0.77 -0.06 -1.12 0.00 0.00 0.00 175.76 173.81 1nrg s SER 128 N -2.96 0.70 0.10 0.00 0.01 -0.67 -2.50 113.70 108.37 1nrg s SER 128 Ca 0.17 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.09 1nrg s SER 128 Cb 0.01 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 1nrg s SER 128 CO 0.03 -0.15 -0.22 -0.76 0.41 0.00 0.00 173.24 172.55 1nrg s LEU 129 N -1.21 2.28 -0.09 2.44 1.43 0.18 -1.02 118.68 122.70 1nrg s LEU 129 Ca -0.08 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1nrg s LEU 129 Cb -0.08 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1nrg s LEU 129 CO 0.00 0.09 -0.03 -0.69 0.23 0.00 0.00 176.35 175.95 1nrg s VAL 130 N -1.10 0.66 -0.14 -1.59 1.01 -0.65 -1.46 120.40 117.13 1nrg s VAL 130 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1nrg s VAL 130 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1nrg s VAL 130 CO 0.04 0.31 -0.01 -0.36 0.00 0.00 0.00 175.10 175.07 1nrg s PHE 131 N 1.82 3.09 -0.12 5.22 0.40 0.26 -1.44 117.98 127.20 1nrg s PHE 131 Ca 0.04 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1nrg s PHE 131 Cb -0.12 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.51 1nrg s PHE 131 CO -0.06 0.12 -0.03 -0.47 0.70 0.00 0.00 175.22 175.48 1nrg s TYR 132 N 0.04 1.20 -0.57 0.36 5.04 -1.26 -0.73 117.35 121.44 1nrg s TYR 132 Ca 0.02 -0.64 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 1nrg s TYR 132 Cb -0.13 -1.08 0.14 0.00 0.35 0.00 0.00 41.96 41.24 1nrg s TYR 132 CO 0.02 -0.49 0.34 -1.58 -1.34 0.00 0.00 175.55 172.50 1nrg s TRP 133 N 1.80 3.30 0.17 4.97 0.51 0.15 -4.98 118.94 124.85 1nrg s TRP 133 Ca 0.03 -2.96 -0.16 0.00 -2.12 0.00 0.00 56.10 50.89 1nrg s TRP 133 Cb -0.14 -3.00 0.11 0.00 -0.81 0.00 0.00 33.47 29.63 1nrg s TRP 133 CO -0.07 -0.79 1.69 1.49 -0.51 0.00 0.00 176.95 178.76 1nrg h GLU 134 N 6.76 0.09 0.00 4.98 4.22 -1.97 -0.68 114.58 127.98 1nrg h GLU 134 Ca -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1nrg h GLU 134 Cb 0.92 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1nrg h GLU 134 CO 0.70 0.06 0.00 -1.35 -2.18 0.00 0.00 179.01 176.24 1nrg h PRO 135 N 0.10 0.00 -0.01 0.92 0.11 -1.94 -1.39 132.00 129.79 1nrg h PRO 135 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nrg h PRO 135 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1nrg h PRO 135 CO -0.33 0.00 -0.27 1.28 -0.21 0.00 0.00 178.00 178.46 1nrg n LEU 136 N -2.57 1.45 -3.71 2.35 4.77 -0.48 -4.98 117.00 113.83 1nrg n LEU 136 Ca -0.02 -0.77 -0.24 0.00 -0.03 0.00 0.00 56.01 54.95 1nrg n LEU 136 Cb 0.08 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1nrg n LEU 136 CO 0.15 0.28 0.09 -3.20 -1.33 0.00 0.00 177.39 173.38 1nrg n ASN 137 N -0.16 -3.70 -4.24 -1.43 2.85 -0.38 -4.81 115.26 103.38 1nrg n ASN 137 Ca 0.06 -0.71 -0.23 0.00 -0.11 0.00 0.00 54.58 53.59 1nrg n ASN 137 Cb 0.28 -4.38 -0.13 0.00 1.24 0.00 0.00 39.78 36.79 1nrg n ASN 137 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1nrg s ARG 138 N -6.18 1.07 -0.01 1.20 0.52 -0.90 -0.82 118.95 113.83 1nrg s ARG 138 Ca 0.36 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1nrg s ARG 138 Cb -0.17 -1.24 0.01 0.00 0.52 0.00 0.00 34.95 34.07 1nrg s ARG 138 CO 0.79 0.29 -0.00 -1.14 0.02 0.00 0.00 175.30 175.25 1nrg s GLN 139 N -1.71 0.16 -0.10 3.54 0.74 -0.39 -0.68 119.66 121.23 1nrg s GLN 139 Ca 0.04 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.50 1nrg s GLN 139 Cb -0.10 -0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.77 1nrg s GLN 139 CO 0.03 -0.05 -0.17 0.08 -0.55 0.00 0.00 175.29 174.64 1nrg s VAL 140 N 0.46 1.54 -0.07 1.34 1.01 0.10 -0.59 120.40 124.20 1nrg s VAL 140 Ca -0.04 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1nrg s VAL 140 Cb -0.07 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1nrg s VAL 140 CO -0.01 0.45 -0.18 -0.13 0.00 0.00 0.00 175.10 175.22 1nrg s ARG 141 N 0.75 2.69 -0.07 2.72 0.52 -0.24 -0.58 118.95 124.75 1nrg s ARG 141 Ca -0.11 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1nrg s ARG 141 Cb -0.16 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 32.99 1nrg s ARG 141 CO 0.02 0.45 -0.10 0.08 0.02 0.00 0.00 175.30 175.77 1nrg s VAL 142 N -0.29 0.99 -0.04 3.52 1.01 -0.54 -0.21 120.40 124.85 1nrg s VAL 142 Ca 0.01 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1nrg s VAL 142 Cb -0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1nrg s VAL 142 CO 0.03 0.33 -0.20 -1.61 0.00 0.00 0.00 175.10 173.64 1nrg s GLU 143 N 0.92 1.98 0.00 2.72 2.02 0.27 0.50 118.70 127.11 1nrg s GLU 143 Ca -0.10 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1nrg s GLU 143 Cb -0.15 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1nrg s GLU 143 CO 0.01 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1nrg n GLY 144 N 2.95 0.34 3.81 -1.39 0.00 -1.04 0.31 105.19 110.16 1nrg n GLY 144 Ca -0.17 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1nrg n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nrg s PRO 145 N -2.00 3.49 0.12 1.61 0.04 -1.18 -2.31 135.00 134.78 1nrg s PRO 145 Ca 0.00 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.30 1nrg s PRO 145 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1nrg s PRO 145 CO 0.00 -0.67 -0.17 0.08 0.04 0.00 0.00 177.00 176.28 1nrg s VAL 146 N -2.44 2.89 -0.01 -0.36 1.01 -0.64 -1.44 120.40 119.41 1nrg s VAL 146 Ca 0.63 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1nrg s VAL 146 Cb -0.15 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1nrg s VAL 146 CO 0.34 0.08 -0.06 -0.75 0.00 0.00 0.00 175.10 174.71 1nrg s LYS 147 N -2.22 0.55 0.28 2.72 2.20 -0.50 -4.82 119.74 117.96 1nrg s LYS 147 Ca 0.19 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 1nrg s LYS 147 Cb -0.10 -0.54 -0.10 0.00 -1.51 0.00 0.00 37.83 35.58 1nrg s LYS 147 CO 0.11 0.11 1.24 0.21 -0.36 0.00 0.00 175.35 176.66 1nrg s LYS 148 N 0.00 4.45 0.53 4.03 2.20 -1.26 -0.61 119.74 129.08 1nrg s LYS 148 Ca 0.00 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 57.48 1nrg s LYS 148 Cb -0.04 -3.14 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 1nrg s LYS 148 CO -0.00 -0.09 1.02 -0.51 -0.36 0.00 0.00 175.35 175.41 1nrg s LEU 149 N -1.19 3.64 0.44 5.43 1.43 0.50 -4.84 118.68 124.10 1nrg s LEU 149 Ca 0.50 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 1nrg s LEU 149 Cb -0.36 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.25 1nrg s LEU 149 CO 0.45 -0.81 1.34 -2.16 0.23 0.00 0.00 176.35 175.41 1nrg s PRO 150 N -3.86 3.77 0.22 1.29 0.04 -1.26 -4.74 135.00 130.46 1nrg s PRO 150 Ca 0.62 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.74 1nrg s PRO 150 Cb -0.13 -2.65 0.24 0.00 0.04 0.00 0.00 34.50 32.00 1nrg s PRO 150 CO 0.30 -0.68 1.59 0.93 0.04 0.00 0.00 177.00 179.18 1nrg h GLU 151 N 2.39 -0.06 -0.19 4.56 4.39 -1.99 0.69 114.58 124.38 1nrg h GLU 151 Ca -0.50 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1nrg h GLU 151 Cb 1.26 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1nrg h GLU 151 CO 0.61 -0.04 -0.04 1.05 -1.16 0.00 0.00 179.01 179.43 1nrg h GLU 152 N -0.06 0.28 -0.34 2.33 9.09 -1.99 0.72 114.58 124.61 1nrg h GLU 152 Ca 0.32 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.60 1nrg h GLU 152 Cb 0.57 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1nrg h GLU 152 CO -0.78 0.34 -0.10 1.49 0.05 0.00 0.00 179.01 180.01 1nrg h GLU 153 N 0.27 0.66 -0.62 1.06 4.81 -1.27 -1.56 114.58 117.94 1nrg h GLU 153 Ca 0.06 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1nrg h GLU 153 Cb 0.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1nrg h GLU 153 CO 0.01 0.84 0.25 0.00 -0.73 0.00 0.00 179.01 179.38 1nrg h ALA 154 N 0.80 1.27 0.32 2.92 0.00 -0.31 -1.88 119.26 122.39 1nrg h ALA 154 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nrg h ALA 154 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nrg h ALA 154 CO 0.04 0.54 -0.22 0.93 0.00 0.00 0.00 179.25 180.54 1nrg h GLU 155 N 0.89 -0.51 -0.44 0.00 4.39 -0.65 0.20 114.58 118.47 1nrg h GLU 155 Ca 0.21 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1nrg h GLU 155 Cb 0.17 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1nrg h GLU 155 CO -0.02 -0.34 0.23 0.00 -1.16 0.00 0.00 179.01 177.72 1nrg h TYR 157 N 0.46 1.08 -0.22 0.00 5.03 -1.12 -2.92 116.97 119.29 1nrg h TYR 157 Ca 0.18 -0.08 0.02 0.00 2.58 0.00 0.00 58.73 61.44 1nrg h TYR 157 Cb 0.07 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 1nrg h TYR 157 CO -0.09 0.83 0.08 0.35 -1.32 0.00 0.00 178.16 178.01 1nrg h PHE 158 N 1.02 0.16 0.00 -3.82 3.57 -0.05 -1.81 116.94 116.00 1nrg h PHE 158 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1nrg h PHE 158 Cb 0.19 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1nrg h PHE 158 CO 0.01 0.08 0.00 0.72 -2.23 0.00 0.00 178.31 176.89 1nrg n HIS 159 N -5.03 0.00 0.42 0.41 8.25 -0.70 -2.21 115.22 116.36 1nrg n HIS 159 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1nrg n HIS 159 Cb 0.07 -0.28 0.13 0.00 1.12 0.00 0.00 29.99 31.04 1nrg n HIS 159 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nrg h SER 160 N 0.00 0.00 -4.29 0.41 4.64 -1.14 -3.47 113.55 109.71 1nrg h SER 160 Ca 0.00 -0.14 -0.50 0.00 -0.47 0.00 0.00 61.79 60.69 1nrg h SER 160 Cb 0.17 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.37 1nrg h SER 160 CO 0.00 0.07 0.34 -0.13 -0.87 0.00 0.00 176.83 176.24 1nrg s ARG 161 N -3.22 2.32 0.51 4.77 0.52 -0.94 -4.98 118.95 117.92 1nrg s ARG 161 Ca 0.04 0.80 -0.21 0.00 -0.52 0.00 0.00 55.73 55.84 1nrg s ARG 161 Cb 0.12 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 1nrg s ARG 161 CO 0.73 -1.50 1.19 -1.25 0.02 0.00 0.00 175.30 174.50 1nrg s PRO 162 N -5.08 3.47 0.23 3.54 0.04 -1.26 -4.80 135.00 131.14 1nrg s PRO 162 Ca 0.60 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 63.35 1nrg s PRO 162 Cb -0.15 -2.23 0.35 0.00 0.04 0.00 0.00 34.50 32.52 1nrg s PRO 162 CO 0.55 -0.80 1.62 -0.22 0.04 0.00 0.00 177.00 178.19 1nrg h LYS 163 N 1.61 0.04 -0.30 4.56 3.64 -1.94 0.25 116.57 124.44 1nrg h LYS 163 Ca -0.50 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 1nrg h LYS 163 Cb 1.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1nrg h LYS 163 CO 0.58 0.03 0.21 0.66 -2.27 0.00 0.00 179.45 178.66 1nrg h SER 164 N 0.04 0.08 -0.11 4.20 4.64 -1.99 0.07 113.55 120.48 1nrg h SER 164 Ca 0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1nrg h SER 164 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1nrg h SER 164 CO -0.70 0.05 -0.36 0.28 -0.87 0.00 0.00 176.83 175.23 1nrg h SER 165 N 0.09 0.51 -0.10 4.97 0.02 -0.87 -1.43 113.55 116.73 1nrg h SER 165 Ca 0.14 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1nrg h SER 165 Cb 0.44 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1nrg h SER 165 CO -0.01 1.03 0.01 1.56 -1.14 0.00 0.00 176.83 178.28 1nrg h GLN 166 N 0.02 0.05 -0.49 3.45 4.20 -0.49 -2.03 115.11 119.82 1nrg h GLN 166 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1nrg h GLN 166 Cb 0.99 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1nrg h GLN 166 CO 0.08 0.03 0.30 0.82 -0.67 0.00 0.00 178.83 179.39 1nrg h ILE 167 N 0.05 1.14 -0.66 2.54 2.04 -1.08 -1.22 117.51 120.33 1nrg h ILE 167 Ca 0.05 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1nrg h ILE 167 Cb 0.05 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1nrg h ILE 167 CO -0.07 0.14 0.37 1.23 0.00 0.00 0.00 178.15 179.82 1nrg h GLY 168 N 0.70 0.96 2.00 5.37 0.00 -0.57 -1.93 103.07 109.60 1nrg h GLY 168 Ca 0.18 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1nrg h GLY 168 CO -0.03 0.39 -0.31 0.00 0.00 0.00 0.00 176.54 176.59 1nrg h ALA 169 N 1.50 1.12 0.12 3.60 0.00 -0.62 -2.64 119.26 122.34 1nrg h ALA 169 Ca 0.23 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 1nrg h ALA 169 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nrg h ALA 169 CO -0.04 0.39 -1.23 0.28 0.00 0.00 0.00 179.25 178.65 1nrg h VAL 170 N 0.00 1.49 -0.18 0.00 2.07 -1.03 -3.34 116.25 115.26 1nrg h VAL 170 Ca -0.00 -3.03 -0.19 0.00 0.82 0.00 0.00 66.70 64.30 1nrg h VAL 170 Cb 0.74 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1nrg h VAL 170 CO 0.04 0.89 -0.61 -0.37 0.02 0.00 0.00 177.57 177.53 1nrg h VAL 171 N 0.08 1.30 -3.59 2.57 -1.51 -1.40 -3.44 116.25 110.26 1nrg h VAL 171 Ca -0.13 -1.83 -0.64 0.00 -1.23 0.00 0.00 66.70 62.87 1nrg h VAL 171 Cb 1.96 1.92 -0.14 0.00 -2.13 0.00 0.00 31.29 32.89 1nrg h VAL 171 CO 0.20 0.58 0.02 -0.55 -1.23 0.00 0.00 177.57 176.60 1nrg s SER 172 N -6.92 6.37 -1.26 4.19 0.15 -1.00 -4.95 113.70 110.28 1nrg s SER 172 Ca -0.11 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 1nrg s SER 172 Cb 0.08 -2.29 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 1nrg s SER 172 CO 0.88 -0.51 1.60 1.41 1.20 0.00 0.00 173.24 177.82 1nrg n HIS 173 N 5.84 4.74 -1.64 3.44 8.25 -1.26 -4.90 115.22 129.69 1nrg n HIS 173 Ca -0.03 -3.11 -0.65 0.00 -0.26 0.00 0.00 57.72 53.67 1nrg n HIS 173 Cb 0.49 -2.38 -0.10 0.00 1.12 0.00 0.00 29.99 29.12 1nrg n HIS 173 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1nrg n GLN 174 N 6.77 0.00 -0.87 -0.41 7.27 -1.26 -0.99 117.38 127.88 1nrg n GLN 174 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1nrg n GLN 174 Cb 0.44 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.64 1nrg n GLN 174 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1nrg n SER 175 N 4.19 -0.17 -4.85 1.69 7.64 -1.26 -3.97 113.62 116.88 1nrg n SER 175 Ca 0.32 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.88 1nrg n SER 175 Cb -0.06 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1nrg n SER 175 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nrg s SER 176 N -2.93 6.63 0.23 6.43 0.01 -0.16 -4.91 113.70 118.99 1nrg s SER 176 Ca 0.00 1.47 -0.30 0.00 1.31 0.00 0.00 55.95 58.43 1nrg s SER 176 Cb 0.00 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1nrg s SER 176 CO 0.00 -0.52 1.23 -0.69 0.41 0.00 0.00 173.24 173.67 1nrg s VAL 177 N -2.51 3.30 0.25 3.43 1.01 -1.26 -4.98 120.40 119.63 1nrg s VAL 177 Ca 0.57 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.78 1nrg s VAL 177 Cb -0.10 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1nrg s VAL 177 CO 0.29 0.22 -0.09 0.27 0.00 0.00 0.00 175.10 175.79 1nrg s ILE 178 N -0.41 1.66 0.11 2.22 -4.36 -1.26 -5.08 121.20 114.08 1nrg s ILE 178 Ca 0.52 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.73 1nrg s ILE 178 Cb -0.35 -2.31 -0.23 0.00 1.25 0.00 0.00 42.46 40.82 1nrg s ILE 178 CO 0.41 -0.40 1.23 1.55 0.24 0.00 0.00 174.94 177.97 1nrg h PRO 179 N 2.38 0.27 -2.14 0.37 0.13 -2.00 -3.49 132.00 127.51 1nrg h PRO 179 Ca -0.39 -0.38 0.23 0.00 -0.87 0.00 0.00 66.00 64.59 1nrg h PRO 179 Cb 1.23 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 1nrg h PRO 179 CO 0.65 1.13 0.65 0.16 -0.23 0.00 0.00 178.00 180.36 1nrg s ASP 180 N -7.06 -0.07 0.47 1.44 3.84 -1.26 -5.04 116.67 108.99 1nrg s ASP 180 Ca -0.04 -0.40 0.26 0.00 -0.00 0.00 0.00 52.55 52.37 1nrg s ASP 180 Cb 0.08 0.37 1.11 0.00 -1.38 0.00 0.00 42.92 43.11 1nrg s ASP 180 CO 0.86 -0.71 1.91 0.08 -0.00 0.00 0.00 175.17 177.31 1nrg h ARG 181 N 2.00 0.00 -0.44 2.11 0.11 -2.02 -3.02 114.38 113.13 1nrg h ARG 181 Ca -0.27 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.71 1nrg h ARG 181 Cb 1.21 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1nrg h ARG 181 CO 0.30 0.18 -0.13 0.93 0.10 0.00 0.00 179.97 181.34 1nrg h GLU 182 N 0.00 0.81 -0.81 0.08 4.39 -1.99 -2.45 114.58 114.61 1nrg h GLU 182 Ca -0.00 -0.29 0.15 0.00 0.34 0.00 0.00 59.36 59.56 1nrg h GLU 182 Cb 0.61 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.11 1nrg h GLU 182 CO 0.02 0.90 0.39 -0.92 -1.16 0.00 0.00 179.01 178.24 1nrg h TYR 183 N 0.72 0.67 -0.10 4.33 3.20 -1.94 0.15 116.97 124.01 1nrg h TYR 183 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1nrg h TYR 183 Cb 0.63 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1nrg h TYR 183 CO 0.03 0.14 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.57 1nrg h LEU 184 N 0.55 0.22 -0.62 2.82 3.38 -1.61 -2.20 115.31 117.85 1nrg h LEU 184 Ca 0.44 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1nrg h LEU 184 Cb 0.65 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1nrg h LEU 184 CO -0.38 0.59 0.33 -0.09 0.09 0.00 0.00 178.44 178.98 1nrg h ARG 185 N -0.16 0.60 0.15 1.13 2.43 -0.84 0.15 114.38 117.84 1nrg h ARG 185 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1nrg h ARG 185 Cb 0.51 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1nrg h ARG 185 CO 0.02 0.40 -0.07 0.87 -1.51 0.00 0.00 179.97 179.67 1nrg h LYS 186 N 0.62 -0.19 -1.01 0.20 1.57 -0.77 -2.01 116.57 114.98 1nrg h LYS 186 Ca 0.28 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.12 1nrg h LYS 186 Cb 0.17 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1nrg h LYS 186 CO -0.18 0.08 0.66 0.87 -0.57 0.00 0.00 179.45 180.30 1nrg h LYS 187 N -0.46 1.19 -0.37 3.15 1.79 -1.17 -2.11 116.57 118.60 1nrg h LYS 187 Ca -0.02 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1nrg h LYS 187 Cb 0.36 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1nrg h LYS 187 CO 0.03 0.79 0.16 -0.97 -1.08 0.00 0.00 179.45 178.38 1nrg h ASN 188 N 1.23 0.49 -0.79 0.86 -1.24 -0.89 -1.56 115.58 113.68 1nrg h ASN 188 Ca 0.42 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 1nrg h ASN 188 Cb 0.08 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 1nrg h ASN 188 CO -0.15 0.50 0.41 -0.08 -1.29 0.00 0.00 177.43 176.82 1nrg h GLU 189 N 0.45 1.14 -0.38 6.67 4.57 -1.01 -1.36 114.58 124.66 1nrg h GLU 189 Ca 0.12 -0.15 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1nrg h GLU 189 Cb 0.15 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1nrg h GLU 189 CO -0.01 0.86 -0.35 0.93 -1.18 0.00 0.00 179.01 179.25 1nrg h GLU 190 N 1.13 0.91 -0.05 1.92 5.08 -1.17 -2.64 114.58 119.77 1nrg h GLU 190 Ca 0.28 -0.47 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1nrg h GLU 190 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1nrg h GLU 190 CO -0.04 1.12 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.60 1nrg h LEU 191 N 0.72 0.11 -1.13 1.33 3.38 -1.08 -1.93 115.31 116.72 1nrg h LEU 191 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1nrg h LEU 191 Cb 0.94 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1nrg h LEU 191 CO 0.09 0.52 0.06 -0.33 0.09 0.00 0.00 178.44 178.87 1nrg h GLU 192 N 0.09 0.67 0.00 1.13 5.08 -1.01 -1.06 114.58 119.48 1nrg h GLU 192 Ca 0.01 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1nrg h GLU 192 Cb 0.79 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1nrg h GLU 192 CO 0.06 0.65 -0.69 -0.56 -1.00 0.00 0.00 179.01 177.47 1nrg h GLN 193 N 0.64 0.00 -0.54 2.33 3.07 -1.02 -1.88 115.11 117.71 1nrg h GLN 193 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.78 1nrg h GLN 193 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 1nrg h GLN 193 CO 0.01 0.69 -0.07 1.25 0.09 0.00 0.00 178.83 180.79 1nrg h LEU 194 N 0.00 1.00 -2.11 0.06 5.85 -1.00 -2.94 115.31 116.17 1nrg h LEU 194 Ca -0.01 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1nrg h LEU 194 Cb 1.40 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1nrg h LEU 194 CO 0.09 1.10 0.00 -1.22 -0.34 0.00 0.00 178.44 178.07 1nrg n TYR 195 N -4.19 0.72 -1.62 1.25 4.02 -0.44 -4.83 117.16 112.07 1nrg n TYR 195 Ca 0.02 -0.36 -0.55 0.00 -0.01 0.00 0.00 57.90 57.00 1nrg n TYR 195 Cb 0.38 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 1nrg n TYR 195 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1nrg n GLN 196 N 1.19 1.03 -0.59 -0.72 -0.06 -0.71 0.58 117.38 118.10 1nrg n GLN 196 Ca 0.19 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.57 1nrg n GLN 196 Cb 0.49 -2.01 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 1nrg n GLN 196 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nrg n ASP 197 N 3.35 -1.41 -4.78 1.69 8.00 -1.26 -4.92 116.55 117.22 1nrg n ASP 197 Ca 0.21 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.47 1nrg n ASP 197 Cb 0.16 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.12 38.61 1nrg n ASP 197 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nrg s GLN 198 N -1.17 2.79 0.18 -1.24 -0.21 0.20 -5.09 119.66 115.11 1nrg s GLN 198 Ca 0.00 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.07 1nrg s GLN 198 Cb 0.00 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.40 1nrg s GLN 198 CO 0.00 0.44 0.97 -2.00 -2.12 0.00 0.00 175.29 172.58 1nrg s GLU 199 N -3.39 4.75 -0.23 2.91 2.12 -1.26 -4.89 118.70 118.71 1nrg s GLU 199 Ca 0.31 1.51 -0.20 0.00 0.36 0.00 0.00 54.97 56.94 1nrg s GLU 199 Cb -0.09 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1nrg s GLU 199 CO 0.23 0.33 0.62 0.08 -0.54 0.00 0.00 175.26 175.98 1nrg s VAL 200 N -0.57 5.01 0.41 3.70 1.01 -1.26 -5.03 120.40 123.67 1nrg s VAL 200 Ca 0.45 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 1nrg s VAL 200 Cb -0.25 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1nrg s VAL 200 CO 0.32 0.07 1.03 -2.16 0.00 0.00 0.00 175.10 174.36 1nrg s PRO 201 N 2.19 4.16 0.16 2.72 0.04 -1.26 -4.96 135.00 138.05 1nrg s PRO 201 Ca 0.27 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1nrg s PRO 201 Cb -0.16 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1nrg s PRO 201 CO 0.09 -0.13 1.27 0.21 0.04 0.00 0.00 177.00 178.48 1nrg s LYS 202 N -2.61 4.41 0.70 4.56 2.20 -1.26 -4.95 119.74 122.79 1nrg s LYS 202 Ca 0.59 1.96 -0.16 0.00 -0.36 0.00 0.00 55.97 58.00 1nrg s LYS 202 Cb -0.20 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1nrg s LYS 202 CO 0.25 -0.23 1.21 -2.14 -0.36 0.00 0.00 175.35 174.07 1nrg s PRO 203 N 0.23 2.36 0.26 4.03 0.02 -1.26 -4.87 135.00 135.77 1nrg s PRO 203 Ca 0.57 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1nrg s PRO 203 Cb -0.34 -1.86 0.32 0.00 0.02 0.00 0.00 34.50 32.64 1nrg s PRO 203 CO 0.35 -1.66 1.86 0.87 -0.33 0.00 0.00 177.00 178.09 1nrg h LYS 204 N -0.01 1.07 0.00 5.54 1.57 -2.00 -2.07 116.57 120.66 1nrg h LYS 204 Ca -0.48 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1nrg h LYS 204 Cb 1.29 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1nrg h LYS 204 CO 0.51 0.82 0.00 -1.13 -0.57 0.00 0.00 179.45 179.08 1nrg n SER 205 N -4.32 0.00 -4.79 0.86 3.41 -1.26 -4.80 113.62 102.72 1nrg n SER 205 Ca 0.07 -0.16 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 1nrg n SER 205 Cb 0.14 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1nrg n SER 205 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1nrg s TRP 206 N -2.50 3.53 0.00 7.33 -0.00 -0.78 0.57 118.94 127.09 1nrg s TRP 206 Ca 0.26 0.57 0.00 0.00 -0.00 0.00 0.00 56.10 56.93 1nrg s TRP 206 Cb 0.17 -2.17 0.00 0.00 -0.00 0.00 0.00 33.47 31.47 1nrg s TRP 206 CO 0.38 0.46 0.00 0.41 -0.00 0.00 0.00 176.95 178.20 1nrg n GLY 207 N 2.76 1.91 3.40 5.86 0.00 -0.69 -4.78 105.19 113.65 1nrg n GLY 207 Ca -0.16 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1nrg n GLY 207 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrg s GLY 208 N -0.38 1.93 0.06 -0.02 0.00 -1.26 -1.40 107.32 106.26 1nrg s GLY 208 Ca 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 44.72 42.75 1nrg s GLY 208 CO 0.00 -1.73 -0.06 -0.19 0.00 0.00 0.00 173.10 171.11 1nrg s TYR 209 N -3.46 0.71 -0.08 1.90 1.51 -0.29 -0.37 117.35 117.28 1nrg s TYR 209 Ca 0.37 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1nrg s TYR 209 Cb 0.08 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1nrg s TYR 209 CO 0.15 -0.15 -0.16 0.54 -1.11 0.00 0.00 175.55 174.82 1nrg s VAL 210 N -2.53 1.44 -0.31 0.71 0.11 0.22 -2.05 120.40 117.99 1nrg s VAL 210 Ca -0.00 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.27 1nrg s VAL 210 Cb -0.02 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1nrg s VAL 210 CO -0.03 0.42 0.26 -0.22 -3.33 0.00 0.00 175.10 172.20 1nrg s LEU 211 N 0.58 4.27 -0.27 2.54 2.96 0.60 -1.41 118.68 127.95 1nrg s LEU 211 Ca -0.16 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.35 1nrg s LEU 211 Cb -0.16 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1nrg s LEU 211 CO 0.05 -0.18 0.89 -0.47 -1.32 0.00 0.00 176.35 175.32 1nrg s TYR 212 N 1.83 3.26 0.01 5.38 5.04 -0.52 -1.13 117.35 131.23 1nrg s TYR 212 Ca 0.08 1.11 -0.30 0.00 -2.44 0.00 0.00 57.07 55.52 1nrg s TYR 212 Cb -0.17 -3.23 -0.06 0.00 0.35 0.00 0.00 41.96 38.85 1nrg s TYR 212 CO 0.11 -0.52 1.43 -1.25 -1.34 0.00 0.00 175.55 173.98 1nrg s PRO 213 N 3.06 4.27 -0.08 4.97 0.04 -1.26 -3.08 135.00 142.92 1nrg s PRO 213 Ca 0.37 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.54 1nrg s PRO 213 Cb -0.14 -3.56 -0.17 0.00 0.04 0.00 0.00 34.50 30.66 1nrg s PRO 213 CO 0.10 -0.59 0.14 1.04 0.04 0.00 0.00 177.00 177.73 1nrg n GLN 214 N 5.34 1.38 -3.82 4.56 1.13 0.15 -4.91 117.38 121.20 1nrg n GLN 214 Ca 0.13 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 1nrg n GLN 214 Cb 0.43 -1.31 -0.14 0.00 0.11 0.00 0.00 30.24 29.34 1nrg n GLN 214 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1nrg s VAL 215 N -2.54 -0.01 -0.13 5.09 1.01 -0.53 -2.56 120.40 120.73 1nrg s VAL 215 Ca -0.05 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1nrg s VAL 215 Cb 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 36.38 36.37 1nrg s VAL 215 CO 0.51 0.02 0.26 -0.04 0.00 0.00 0.00 175.10 175.85 1nrg s MET 216 N 0.31 0.16 -0.06 2.72 -1.94 -0.22 -0.56 119.30 119.70 1nrg s MET 216 Ca -0.02 0.72 0.05 0.00 -1.71 0.00 0.00 55.69 54.73 1nrg s MET 216 Cb -0.03 -0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.75 1nrg s MET 216 CO -0.01 -0.27 -0.20 -2.00 -0.01 0.00 0.00 175.02 172.53 1nrg s GLU 217 N 2.25 2.60 -0.27 2.03 2.12 0.71 -0.89 118.70 127.25 1nrg s GLU 217 Ca -0.00 -0.82 -0.06 0.00 0.36 0.00 0.00 54.97 54.45 1nrg s GLU 217 Cb -0.12 -2.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 1nrg s GLU 217 CO -0.09 0.45 0.06 -0.06 -0.54 0.00 0.00 175.26 175.08 1nrg s PHE 218 N -0.31 3.09 -0.21 5.30 0.40 -0.02 -1.08 117.98 125.15 1nrg s PHE 218 Ca 0.02 -0.79 -0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1nrg s PHE 218 Cb -0.13 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 1nrg s PHE 218 CO 0.02 -0.50 -0.04 -0.46 0.70 0.00 0.00 175.22 174.94 1nrg s TRP 219 N 1.53 2.97 -0.25 0.36 -0.00 0.24 -1.32 118.94 122.47 1nrg s TRP 219 Ca 0.04 -0.79 0.03 0.00 -0.00 0.00 0.00 56.10 55.38 1nrg s TRP 219 Cb -0.16 -2.08 0.06 0.00 -0.00 0.00 0.00 33.47 31.29 1nrg s TRP 219 CO 0.02 -0.45 -0.11 -1.14 -0.00 0.00 0.00 176.95 175.27 1nrg s GLN 220 N 1.28 2.27 0.61 5.86 2.00 -0.05 -1.26 119.66 130.37 1nrg s GLN 220 Ca 0.03 -1.30 -0.18 0.00 -2.00 0.00 0.00 55.36 51.91 1nrg s GLN 220 Cb -0.14 -2.86 -0.03 0.00 0.80 0.00 0.00 33.01 30.78 1nrg s GLN 220 CO -0.01 -0.55 1.20 0.20 -0.50 0.00 0.00 175.29 175.63 1nrg s GLY 221 N 1.12 2.66 -0.01 2.59 0.00 0.00 -1.70 107.32 111.98 1nrg s GLY 221 Ca -0.08 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1nrg s GLY 221 CO -0.06 1.35 0.00 1.20 0.00 0.00 0.00 173.10 175.60 1nrg s GLN 222 N -3.45 0.10 0.47 2.90 -1.52 -1.26 -4.88 119.66 112.02 1nrg s GLN 222 Ca 0.76 0.03 0.23 0.00 -1.95 0.00 0.00 55.36 54.44 1nrg s GLN 222 Cb -0.29 -0.20 1.26 0.00 -0.22 0.00 0.00 33.01 33.56 1nrg s GLN 222 CO 0.35 -0.05 1.88 1.15 -0.25 0.00 0.00 175.29 178.37 1nrg h THR 223 N 5.60 0.64 0.00 -0.19 2.02 -1.96 0.27 112.91 119.29 1nrg h THR 223 Ca -0.33 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1nrg h THR 223 Cb 1.17 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1nrg h THR 223 CO 0.50 0.04 0.00 -0.46 0.37 0.00 0.00 175.52 175.97 1nrg n ASN 224 N -4.41 0.00 0.00 4.18 6.94 -1.26 -4.89 115.26 115.82 1nrg n ASN 224 Ca 0.18 -0.51 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 1nrg n ASN 224 Cb 0.78 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1nrg n ASN 224 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1nrg n ARG 225 N -1.16 0.00 -2.82 -3.83 5.12 0.93 -4.95 116.66 109.96 1nrg n ARG 225 Ca 0.18 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.67 1nrg n ARG 225 Cb 0.18 -2.22 0.01 0.00 -1.16 0.00 0.00 32.46 29.26 1nrg n ARG 225 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1nrg n LEU 226 N 0.00 6.20 -4.75 0.55 4.77 -1.26 -4.92 117.00 117.59 1nrg n LEU 226 Ca 0.00 -4.89 -0.39 0.00 -0.03 0.00 0.00 56.01 50.71 1nrg n LEU 226 Cb 0.00 -1.42 0.04 0.00 -2.33 0.00 0.00 43.42 39.70 1nrg n LEU 226 CO 0.00 1.40 0.99 -1.00 -1.33 0.00 0.00 177.39 177.45 1nrg s HIS 227 N -0.87 2.33 -0.11 -1.77 3.76 -1.26 -4.68 115.29 112.69 1nrg s HIS 227 Ca 0.36 1.36 -0.22 0.00 -0.15 0.00 0.00 55.06 56.41 1nrg s HIS 227 Cb 0.03 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 1nrg s HIS 227 CO 0.03 -2.86 0.63 -0.51 -0.85 0.00 0.00 174.74 171.18 1nrg s ASP 228 N -0.90 6.85 -0.17 1.40 -0.00 -0.69 -4.38 116.67 118.78 1nrg s ASP 228 Ca 0.70 1.02 -0.01 0.00 -0.00 0.00 0.00 52.55 54.26 1nrg s ASP 228 Cb -0.40 -2.37 0.05 0.00 -0.00 0.00 0.00 42.92 40.20 1nrg s ASP 228 CO 0.48 -0.12 -0.02 -0.13 -0.00 0.00 0.00 175.17 175.38 1nrg s ARG 229 N 0.99 1.15 -0.22 8.23 0.52 -1.26 -0.87 118.95 127.49 1nrg s ARG 229 Ca 0.33 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1nrg s ARG 229 Cb -0.17 -1.99 0.04 0.00 0.52 0.00 0.00 34.95 33.36 1nrg s ARG 229 CO 0.14 -0.49 -0.15 0.42 0.02 0.00 0.00 175.30 175.24 1nrg s ILE 230 N 1.71 2.11 -0.14 1.52 1.01 -0.43 -1.67 121.20 125.30 1nrg s ILE 230 Ca -0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 60.65 59.35 1nrg s ILE 230 Cb -0.16 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1nrg s ILE 230 CO -0.07 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.30 1nrg s VAL 231 N 1.20 3.06 -0.04 2.92 1.01 -0.75 -0.84 120.40 126.94 1nrg s VAL 231 Ca -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1nrg s VAL 231 Cb -0.17 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1nrg s VAL 231 CO -0.09 0.52 0.07 -0.36 0.00 0.00 0.00 175.10 175.24 1nrg s PHE 232 N 0.47 3.31 -0.04 5.22 0.40 -0.06 -1.72 117.98 125.56 1nrg s PHE 232 Ca -0.09 0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 1nrg s PHE 232 Cb -0.16 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1nrg s PHE 232 CO 0.04 0.56 0.26 -0.98 0.70 0.00 0.00 175.22 175.81 1nrg s ARG 233 N -1.42 0.54 0.02 0.44 1.70 -0.33 -1.06 118.95 118.83 1nrg s ARG 233 Ca 0.19 -0.08 -0.27 0.00 -0.47 0.00 0.00 55.73 55.11 1nrg s ARG 233 Cb -0.12 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1nrg s ARG 233 CO 0.10 -0.13 0.84 -0.98 -1.08 0.00 0.00 175.30 174.04 1nrg s ARG 234 N -0.94 4.53 0.27 3.89 1.70 -1.06 -0.68 118.95 126.66 1nrg s ARG 234 Ca -0.10 1.17 -0.17 0.00 -0.47 0.00 0.00 55.73 56.17 1nrg s ARG 234 Cb -0.05 -3.41 -0.09 0.00 -0.57 0.00 0.00 34.95 30.84 1nrg s ARG 234 CO 0.03 0.13 0.72 0.20 -1.08 0.00 0.00 175.30 175.29 1nrg s GLY 235 N 0.44 2.45 -0.12 3.88 0.00 0.13 -4.92 107.32 109.19 1nrg s GLY 235 Ca 0.43 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 1nrg s GLY 235 CO 0.24 0.34 0.68 1.41 0.00 0.00 0.00 173.10 175.77 1nrg h LEU 236 N 2.80 -0.01 -3.08 0.66 3.38 -1.96 -3.34 115.31 113.76 1nrg h LEU 236 Ca -0.48 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.73 1nrg h LEU 236 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1nrg h LEU 236 CO 0.65 0.85 0.00 -2.65 0.09 0.00 0.00 178.44 177.38 1nrg n PRO 237 N -4.67 0.84 -1.91 1.13 -0.02 -1.26 -4.92 135.00 124.19 1nrg n PRO 237 Ca -0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.99 1nrg n PRO 237 Cb 0.37 -1.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.76 1nrg n PRO 237 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1nrg s THR 238 N 0.30 2.31 0.00 3.45 -1.32 -1.26 -3.32 115.64 115.80 1nrg s THR 238 Ca 0.00 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1nrg s THR 238 Cb 0.00 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 1nrg s THR 238 CO 0.00 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1nrg n GLY 239 N 1.09 3.76 0.00 6.08 0.00 -1.26 -4.93 105.19 109.92 1nrg n GLY 239 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1nrg n GLY 239 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nrg n ASP 240 N 0.00 0.00 -2.80 1.61 8.00 -1.22 -5.08 116.55 117.06 1nrg n ASP 240 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1nrg n ASP 240 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1nrg n ASP 240 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nrg n SER 241 N 0.00 3.85 -1.46 -2.24 7.64 -1.21 -5.10 113.62 115.11 1nrg n SER 241 Ca 0.00 -3.53 -0.20 0.00 1.01 0.00 0.00 58.87 56.15 1nrg n SER 241 Cb 0.00 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1nrg n SER 241 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1nrg n PRO 242 N -0.24 0.00 0.00 1.43 -0.02 -1.26 -4.93 135.00 129.98 1nrg n PRO 242 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1nrg n PRO 242 Cb 0.54 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 1nrg n PRO 242 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nrg n LEU 243 N 0.64 0.00 -4.34 2.45 7.99 -1.26 -5.09 117.00 117.39 1nrg n LEU 243 Ca 0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.72 1nrg n LEU 243 Cb 0.02 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.40 1nrg n LEU 243 CO 0.21 0.00 -0.33 0.61 -1.51 0.00 0.00 177.39 176.37 1nrg n GLY 244 N 5.00 -2.47 0.30 -0.72 0.00 -1.26 -4.85 105.19 101.19 1nrg n GLY 244 Ca 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1nrg n GLY 244 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nrg h PRO 245 N -0.89 0.07 -0.39 1.61 0.11 -2.04 -2.22 132.00 128.24 1nrg h PRO 245 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nrg h PRO 245 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1nrg h PRO 245 CO 0.36 0.05 0.00 -1.33 -0.21 0.00 0.00 178.00 176.86 1nrg n MET 246 N -4.49 3.59 -4.70 1.05 2.81 -1.26 -4.95 117.12 109.17 1nrg n MET 246 Ca 0.02 -2.90 -0.33 0.00 -1.81 0.00 0.00 57.70 52.68 1nrg n MET 246 Cb 0.24 -1.95 -0.16 0.00 -0.71 0.00 0.00 33.22 30.65 1nrg n MET 246 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1nrg s THR 247 N -2.63 2.52 0.30 2.03 2.01 -0.84 -4.55 115.64 114.48 1nrg s THR 247 Ca 0.46 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.72 1nrg s THR 247 Cb 0.35 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1nrg s THR 247 CO 0.13 0.53 -0.02 -1.00 -0.69 0.00 0.00 174.62 173.56 1nrg s HIS 248 N 0.67 2.58 -0.08 4.92 0.09 0.12 -4.69 115.29 118.91 1nrg s HIS 248 Ca -0.09 -0.32 -0.24 0.00 -0.00 0.00 0.00 55.06 54.42 1nrg s HIS 248 Cb -0.16 -1.28 -0.03 0.00 -0.00 0.00 0.00 32.58 31.11 1nrg s HIS 248 CO 0.02 0.57 0.74 0.50 -0.00 0.00 0.00 174.74 176.57 1nrg s ARG 249 N -3.67 4.43 0.22 1.40 3.52 -1.26 -0.26 118.95 123.32 1nrg s ARG 249 Ca 0.33 0.94 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 1nrg s ARG 249 Cb -0.04 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1nrg s ARG 249 CO 0.19 0.00 0.15 0.41 -0.81 0.00 0.00 175.30 175.24 1nrg n GLY 250 N 3.15 3.02 3.78 8.12 0.00 0.33 -4.84 105.19 118.75 1nrg n GLY 250 Ca 0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 1nrg n GLY 250 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nrg s GLU 251 N -2.88 2.77 5.90 1.61 2.02 -0.85 -4.37 118.70 122.89 1nrg s GLU 251 Ca 0.11 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1nrg s GLU 251 Cb -0.01 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1nrg s GLU 251 CO 0.07 -1.26 0.00 0.39 0.02 0.00 0.00 175.26 174.48 1nrg n GLU 252 N -2.64 0.00 -0.52 1.61 1.02 -1.26 -0.61 120.64 118.25 1nrg n GLU 252 Ca 0.10 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1nrg n GLU 252 Cb 0.52 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.18 1nrg n GLU 252 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1nrg n ASP 253 N 2.62 3.75 -4.79 1.62 5.75 -1.26 -4.94 116.55 119.29 1nrg n ASP 253 Ca 0.00 -2.52 -0.39 0.00 -0.01 0.00 0.00 54.79 51.87 1nrg n ASP 253 Cb 0.00 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.44 1nrg n ASP 253 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1nrg s TRP 254 N -2.01 3.85 0.12 2.11 0.52 0.22 0.22 118.94 123.97 1nrg s TRP 254 Ca 0.33 1.46 0.11 0.00 0.02 0.00 0.00 56.10 58.01 1nrg s TRP 254 Cb 0.24 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 1nrg s TRP 254 CO 0.10 0.52 -0.26 -0.51 0.02 0.00 0.00 176.95 176.82 1nrg s LEU 255 N -1.02 2.31 0.04 2.99 1.43 0.15 0.12 118.68 124.70 1nrg s LEU 255 Ca 0.33 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1nrg s LEU 255 Cb -0.21 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1nrg s LEU 255 CO 0.23 0.17 -0.02 -0.72 0.23 0.00 0.00 176.35 176.24 1nrg s TYR 256 N -1.05 0.39 0.08 0.29 -0.85 0.64 -1.18 117.35 115.66 1nrg s TYR 256 Ca 0.13 -0.80 -0.22 0.00 -0.52 0.00 0.00 57.07 55.66 1nrg s TYR 256 Cb -0.10 -0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.01 1nrg s TYR 256 CO 0.05 -0.30 0.53 -1.83 -1.52 0.00 0.00 175.55 172.49 1nrg s GLU 257 N -2.76 1.10 0.18 -3.49 -1.05 -0.70 0.11 118.70 112.10 1nrg s GLU 257 Ca -0.04 -0.35 -0.19 0.00 -0.15 0.00 0.00 54.97 54.24 1nrg s GLU 257 Cb -0.00 0.50 -0.08 0.00 -0.44 0.00 0.00 34.13 34.11 1nrg s GLU 257 CO -0.06 -0.43 0.67 0.50 0.95 0.00 0.00 175.26 176.90 1nrg s ARG 258 N -2.94 4.22 -0.02 -4.83 3.52 -1.26 -1.82 118.95 115.82 1nrg s ARG 258 Ca -0.03 0.80 0.08 0.00 -0.13 0.00 0.00 55.73 56.45 1nrg s ARG 258 Cb -0.00 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1nrg s ARG 258 CO -0.06 0.46 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.14 1nrg s LEU 259 N -1.76 2.11 0.36 -0.88 1.43 -0.67 -4.98 118.68 114.30 1nrg s LEU 259 Ca 0.39 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1nrg s LEU 259 Cb -0.17 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1nrg s LEU 259 CO 0.21 0.32 1.37 0.00 0.23 0.00 0.00 176.35 178.48 1nrg s ALA 260 N -0.63 3.47 -2.00 4.21 0.00 -1.26 -4.20 121.76 121.36 1nrg s ALA 260 Ca 0.10 1.37 0.19 0.00 0.00 0.00 0.00 51.96 53.62 1nrg s ALA 260 Cb -0.10 -3.53 1.14 0.00 0.00 0.00 0.00 23.12 20.64 1nrg s ALA 260 CO -0.01 -0.84 1.54 -0.35 0.00 0.00 0.00 175.76 176.10