#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sht s ALA 42 N 0.00 0.06 0.40 5.13 0.00 -1.26 -5.10 121.76 120.98 1sht s ALA 42 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1sht s ALA 42 Cb 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 23.12 23.23 1sht s ALA 42 CO 0.00 -0.28 0.95 -0.06 0.00 0.00 0.00 175.76 176.37 1sht s PHE 43 N -2.44 3.43 -0.24 0.00 0.08 -1.26 -4.52 117.98 113.02 1sht s PHE 43 Ca -0.07 1.66 -0.03 0.00 0.12 0.00 0.00 56.93 58.62 1sht s PHE 43 Cb -0.02 -2.88 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 1sht s PHE 43 CO -0.04 -0.02 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.50 1sht s ASP 44 N -1.99 4.34 -0.19 1.36 1.01 -0.82 -1.32 116.67 119.06 1sht s ASP 44 Ca 0.58 -0.74 -0.04 0.00 0.71 0.00 0.00 52.55 53.06 1sht s ASP 44 Cb -0.12 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.09 1sht s ASP 44 CO 0.17 -0.11 -0.02 -0.76 0.21 0.00 0.00 175.17 174.66 1sht s LEU 45 N 1.38 3.19 -0.34 1.23 1.02 0.02 -1.02 118.68 124.15 1sht s LEU 45 Ca 0.02 -0.21 -0.05 0.00 0.02 0.00 0.00 54.13 53.91 1sht s LEU 45 Cb -0.16 -1.79 0.05 0.00 0.02 0.00 0.00 46.19 44.31 1sht s LEU 45 CO -0.04 0.09 0.10 -0.31 0.02 0.00 0.00 176.35 176.22 1sht s TYR 46 N 0.83 3.29 -0.22 0.29 1.51 0.16 -0.99 117.35 122.23 1sht s TYR 46 Ca -0.00 -1.61 -0.20 0.00 -1.01 0.00 0.00 57.07 54.24 1sht s TYR 46 Cb -0.14 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 1sht s TYR 46 CO 0.02 -0.78 0.61 -0.06 -1.11 0.00 0.00 175.55 174.23 1sht s PHE 47 N 1.35 3.34 -0.31 2.71 0.40 -0.16 -0.75 117.98 124.56 1sht s PHE 47 Ca -0.01 0.85 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 1sht s PHE 47 Cb -0.20 -2.79 0.07 0.00 0.51 0.00 0.00 43.02 40.61 1sht s PHE 47 CO 0.01 -0.22 -0.00 0.08 0.70 0.00 0.00 175.22 175.79 1sht s VAL 48 N 2.08 2.59 -0.18 -0.44 1.01 -0.26 -0.93 120.40 124.27 1sht s VAL 48 Ca 0.27 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1sht s VAL 48 Cb -0.16 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1sht s VAL 48 CO 0.10 -0.25 -0.09 -0.76 0.00 0.00 0.00 175.10 174.09 1sht s LEU 49 N 1.11 2.78 -0.21 3.92 1.43 0.60 -1.31 118.68 127.00 1sht s LEU 49 Ca -0.01 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1sht s LEU 49 Cb -0.20 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1sht s LEU 49 CO -0.04 0.05 1.51 -0.62 0.23 0.00 0.00 176.35 177.48 1sht s ASP 50 N 1.03 6.55 -0.28 2.29 -1.08 -0.50 -1.21 116.67 123.48 1sht s ASP 50 Ca -0.00 1.62 0.09 0.00 -0.52 0.00 0.00 52.55 53.74 1sht s ASP 50 Cb -0.15 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 1sht s ASP 50 CO -0.01 -1.12 1.40 2.29 0.52 0.00 0.00 175.17 178.26 1sht n LYS 51 N 7.39 1.82 -1.51 4.34 2.85 -0.05 -4.91 118.16 128.08 1sht n LYS 51 Ca 0.17 -3.26 -0.29 0.00 -1.05 0.00 0.00 58.31 53.88 1sht n LYS 51 Cb 0.45 -1.78 0.11 0.00 -0.65 0.00 0.00 35.03 33.16 1sht n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1sht s SER 52 N -2.75 3.97 0.32 -5.58 1.04 -1.24 -1.11 113.70 108.36 1sht s SER 52 Ca 0.43 1.18 -0.00 0.00 0.48 0.00 0.00 55.95 58.04 1sht s SER 52 Cb 0.40 -1.84 0.53 0.00 0.10 0.00 0.00 66.02 65.21 1sht s SER 52 CO -0.02 -2.29 1.99 1.23 0.98 0.00 0.00 173.24 175.13 1sht h GLY 53 N -1.31 1.04 0.78 7.32 0.00 -1.14 -2.91 103.07 106.86 1sht h GLY 53 Ca -0.49 -0.39 0.16 0.00 0.00 0.00 0.00 47.33 46.61 1sht h GLY 53 CO 0.60 0.38 0.45 1.48 0.00 0.00 0.00 176.54 179.45 1sht h SER 54 N 1.00 0.16 -0.37 0.19 4.64 -1.93 -2.39 113.55 114.84 1sht h SER 54 Ca 0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sht h SER 54 Cb -0.11 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1sht h SER 54 CO -0.06 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 1sht n VAL 55 N -4.41 0.49 -0.12 0.95 0.24 -1.10 -4.70 118.33 109.68 1sht n VAL 55 Ca 0.12 -0.75 0.07 0.00 -2.04 0.00 0.00 64.34 61.74 1sht n VAL 55 Cb 0.60 1.00 0.39 0.00 -1.47 0.00 0.00 33.84 34.36 1sht n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sht h ALA 56 N 4.43 1.75 0.00 2.33 0.00 -1.45 -0.43 119.26 125.89 1sht h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sht h ALA 56 Cb 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sht h ALA 56 CO 0.00 0.16 0.00 -0.91 0.00 0.00 0.00 179.25 178.50 1sht h ASN 57 N 0.66 0.00 -0.20 0.00 2.35 -1.84 -2.97 115.58 113.58 1sht h ASN 57 Ca 0.27 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1sht h ASN 57 Cb 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1sht h ASN 57 CO -0.08 0.00 -0.05 0.59 -1.65 0.00 0.00 177.43 176.24 1sht n ASN 58 N -2.61 3.02 -0.34 5.81 4.13 -0.18 -4.68 115.26 120.39 1sht n ASN 58 Ca 0.02 -3.28 -0.03 0.00 1.68 0.00 0.00 54.58 52.97 1sht n ASN 58 Cb 0.27 -0.54 0.10 0.00 -1.54 0.00 0.00 39.78 38.07 1sht n ASN 58 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1sht h TRP 59 N 1.10 1.16 -0.79 3.10 2.91 -1.38 -1.87 115.95 120.18 1sht h TRP 59 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1sht h TRP 59 Cb 1.36 -0.39 -0.04 0.00 -0.51 0.00 0.00 29.16 29.58 1sht h TRP 59 CO 0.52 0.73 0.39 0.82 -1.03 0.00 0.00 178.44 179.87 1sht h ILE 60 N 1.25 1.24 -0.53 2.65 2.04 -1.85 0.05 117.51 122.36 1sht h ILE 60 Ca 0.34 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1sht h ILE 60 Cb -0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1sht h ILE 60 CO -0.08 0.29 0.33 -0.33 0.00 0.00 0.00 178.15 178.35 1sht h GLU 61 N 1.12 0.63 0.32 2.37 5.08 -1.76 -0.11 114.58 122.23 1sht h GLU 61 Ca 0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1sht h GLU 61 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1sht h GLU 61 CO -0.04 0.42 -0.21 0.82 -1.00 0.00 0.00 179.01 179.00 1sht h ILE 62 N 0.65 0.55 -0.54 3.13 2.04 -0.65 -2.10 117.51 120.59 1sht h ILE 62 Ca 0.21 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.17 1sht h ILE 62 Cb 0.01 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1sht h ILE 62 CO -0.09 0.00 0.07 0.22 0.00 0.00 0.00 178.15 178.35 1sht h TYR 63 N -0.52 0.09 -0.66 1.37 5.03 -0.88 -1.94 116.97 119.45 1sht h TYR 63 Ca -0.03 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1sht h TYR 63 Cb 0.44 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 1sht h TYR 63 CO -0.10 -0.06 0.12 -0.91 -1.32 0.00 0.00 178.16 175.88 1sht h ASN 64 N 0.19 1.03 -0.19 -2.11 -0.26 -0.90 -1.27 115.58 112.07 1sht h ASN 64 Ca 0.28 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1sht h ASN 64 Cb 0.41 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1sht h ASN 64 CO -0.40 1.01 0.11 0.15 -1.06 0.00 0.00 177.43 177.24 1sht h PHE 65 N 1.01 0.25 -0.48 1.19 3.04 -1.06 -0.34 116.94 120.55 1sht h PHE 65 Ca 0.20 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.22 1sht h PHE 65 Cb 0.42 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.78 1sht h PHE 65 CO 0.03 0.21 0.14 0.28 -2.02 0.00 0.00 178.31 176.95 1sht h VAL 66 N 0.22 0.78 -0.62 1.41 2.07 -1.09 -1.08 116.25 117.95 1sht h VAL 66 Ca 0.07 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1sht h VAL 66 Cb 0.04 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1sht h VAL 66 CO -0.01 0.05 0.15 -0.61 0.02 0.00 0.00 177.57 177.17 1sht h GLN 67 N 0.29 0.99 -0.59 1.57 4.15 -1.01 -1.16 115.11 119.35 1sht h GLN 67 Ca 0.24 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1sht h GLN 67 Cb 0.28 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1sht h GLN 67 CO -0.28 0.90 0.34 1.96 -1.93 0.00 0.00 178.83 179.83 1sht h GLN 68 N 0.91 0.82 -0.25 1.69 4.20 -0.69 -1.19 115.11 120.59 1sht h GLN 68 Ca 0.19 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1sht h GLN 68 Cb 0.35 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1sht h GLN 68 CO 0.00 0.60 -0.32 1.25 -0.67 0.00 0.00 178.83 179.69 1sht h LEU 69 N 0.80 0.72 -0.85 1.46 5.85 -0.96 -0.93 115.31 121.40 1sht h LEU 69 Ca 0.21 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1sht h LEU 69 Cb 0.01 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1sht h LEU 69 CO -0.04 1.08 0.53 0.00 -0.34 0.00 0.00 178.44 179.67 1sht h ALA 70 N 0.67 1.15 0.00 1.25 0.00 -1.11 -0.50 119.26 120.71 1sht h ALA 70 Ca 0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1sht h ALA 70 Cb 0.90 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1sht h ALA 70 CO 0.08 0.30 -1.08 0.93 0.00 0.00 0.00 179.25 179.48 1sht h GLU 71 N 0.99 0.00 0.00 0.00 5.08 -1.15 -3.03 114.58 116.46 1sht h GLU 71 Ca 0.36 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.48 1sht h GLU 71 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1sht h GLU 71 CO -0.15 0.89 -1.86 -2.13 -1.00 0.00 0.00 179.01 174.75 1sht n ARG 72 N -3.29 0.65 0.00 2.33 0.63 -0.36 -4.73 116.66 111.88 1sht n ARG 72 Ca -0.02 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1sht n ARG 72 Cb 0.94 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 32.17 1sht n ARG 72 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1sht n PHE 73 N -2.80 0.00 -2.45 -0.14 7.35 -0.21 -4.97 117.46 114.24 1sht n PHE 73 Ca -0.18 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.11 1sht n PHE 73 Cb 0.95 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.75 1sht n PHE 73 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1sht s VAL 74 N -1.98 3.68 0.80 -2.13 1.01 -1.15 -4.97 120.40 115.68 1sht s VAL 74 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1sht s VAL 74 Cb 0.00 -4.75 0.07 0.00 0.00 0.00 0.00 36.38 31.70 1sht s VAL 74 CO 0.00 -1.69 1.14 -0.94 0.00 0.00 0.00 175.10 173.61 1sht s SER 75 N 4.79 4.52 0.48 3.32 1.04 -1.26 -4.81 113.70 121.78 1sht s SER 75 Ca 0.43 0.98 0.27 0.00 0.48 0.00 0.00 55.95 58.12 1sht s SER 75 Cb -0.07 -1.60 1.49 0.00 0.10 0.00 0.00 66.02 65.94 1sht s SER 75 CO 0.11 -1.91 1.82 -0.65 0.98 0.00 0.00 173.24 173.59 1sht h PRO 76 N -1.06 0.00 -0.00 4.02 0.11 -1.93 0.12 132.00 133.26 1sht h PRO 76 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sht h PRO 76 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1sht h PRO 76 CO 0.64 0.00 -0.25 0.39 -0.21 0.00 0.00 178.00 178.57 1sht n GLU 77 N -2.55 0.12 -3.79 1.05 1.02 -1.26 -4.91 120.64 110.32 1sht n GLU 77 Ca -0.02 -0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 1sht n GLU 77 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1sht n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1sht s MET 78 N -2.91 3.01 0.20 3.49 -1.94 0.03 -4.52 119.30 116.66 1sht s MET 78 Ca 0.15 -1.07 0.08 0.00 -1.71 0.00 0.00 55.69 53.15 1sht s MET 78 Cb 0.18 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 1sht s MET 78 CO 0.60 0.20 -0.16 1.03 -0.01 0.00 0.00 175.02 176.67 1sht s ARG 79 N -4.02 1.34 0.08 2.03 0.52 -0.44 -4.37 118.95 114.09 1sht s ARG 79 Ca 0.40 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 1sht s ARG 79 Cb -0.08 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1sht s ARG 79 CO 0.28 0.23 -0.00 -0.48 0.02 0.00 0.00 175.30 175.35 1sht s LEU 80 N -3.06 2.24 0.01 2.53 0.05 0.02 -0.80 118.68 119.67 1sht s LEU 80 Ca 0.20 -1.07 0.01 0.00 0.05 0.00 0.00 54.13 53.32 1sht s LEU 80 Cb -0.03 0.22 -0.01 0.00 -2.05 0.00 0.00 46.19 44.32 1sht s LEU 80 CO 0.07 -0.64 -0.03 -0.55 -0.55 0.00 0.00 176.35 174.65 1sht s SER 81 N -2.97 0.35 -0.20 1.48 0.15 -0.16 -0.99 113.70 111.35 1sht s SER 81 Ca 0.13 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 1sht s SER 81 Cb 0.08 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1sht s SER 81 CO -0.06 -0.09 -0.08 -0.36 1.20 0.00 0.00 173.24 173.85 1sht s PHE 82 N -0.59 2.91 -0.02 3.44 0.08 -0.55 -0.99 117.98 122.25 1sht s PHE 82 Ca -0.05 -1.02 0.07 0.00 0.12 0.00 0.00 56.93 56.05 1sht s PHE 82 Cb -0.04 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1sht s PHE 82 CO -0.00 -0.55 -0.24 0.42 -0.10 0.00 0.00 175.22 174.76 1sht s ILE 83 N 1.29 1.86 0.16 0.64 1.01 -0.11 -0.74 121.20 125.32 1sht s ILE 83 Ca 0.03 -1.00 0.10 0.00 0.00 0.00 0.00 60.65 59.78 1sht s ILE 83 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1sht s ILE 83 CO -0.04 0.53 -0.20 0.68 0.00 0.00 0.00 174.94 175.91 1sht s VAL 84 N -0.51 2.62 -0.02 2.92 -7.23 -0.42 -0.29 120.40 117.47 1sht s VAL 84 Ca 0.08 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1sht s VAL 84 Cb -0.09 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1sht s VAL 84 CO -0.00 -0.04 0.09 0.72 -0.31 0.00 0.00 175.10 175.56 1sht s PHE 85 N -1.47 -0.01 0.00 2.82 -0.12 -0.35 -0.99 117.98 117.87 1sht s PHE 85 Ca 0.20 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 1sht s PHE 85 Cb -0.09 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 1sht s PHE 85 CO 0.10 -0.15 0.00 -1.13 -0.05 0.00 0.00 175.22 174.00 1sht n SER 86 N 2.33 0.00 0.24 1.98 3.41 -1.26 -0.87 113.62 119.44 1sht n SER 86 Ca -0.17 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.57 1sht n SER 86 Cb 0.57 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.91 1sht n SER 86 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sht h SER 87 N 0.00 0.00 -3.81 4.04 4.64 -1.82 -0.78 113.55 115.82 1sht h SER 87 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1sht h SER 87 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1sht h SER 87 CO 0.00 0.06 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.21 1sht s GLN 88 N -3.41 1.13 0.04 4.77 -0.21 -1.26 -4.90 119.66 115.81 1sht s GLN 88 Ca 0.04 -1.49 0.04 0.00 0.02 0.00 0.00 55.36 53.97 1sht s GLN 88 Cb 0.07 -0.72 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 1sht s GLN 88 CO 0.62 0.08 -0.07 0.00 -2.12 0.00 0.00 175.29 173.81 1sht s ALA 89 N -3.27 3.01 -0.01 6.09 0.00 -1.26 -4.36 121.76 121.97 1sht s ALA 89 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1sht s ALA 89 Cb 0.02 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1sht s ALA 89 CO 0.02 0.63 0.01 0.99 0.00 0.00 0.00 175.76 177.41 1sht s THR 90 N -1.07 0.01 -0.63 0.00 2.01 -0.16 -5.01 115.64 110.79 1sht s THR 90 Ca 0.19 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1sht s THR 90 Cb -0.11 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.35 1sht s THR 90 CO 0.10 0.05 1.21 -0.63 -0.69 0.00 0.00 174.62 174.66 1sht s ILE 91 N 0.53 3.94 0.06 1.82 1.01 -1.26 -1.30 121.20 126.01 1sht s ILE 91 Ca -0.05 0.71 -0.17 0.00 0.00 0.00 0.00 60.65 61.14 1sht s ILE 91 Cb -0.07 -4.78 -0.14 0.00 0.01 0.00 0.00 42.46 37.49 1sht s ILE 91 CO -0.01 -1.50 1.33 0.40 0.00 0.00 0.00 174.94 175.16 1sht h ILE 92 N 6.11 1.34 -3.37 2.92 1.08 -1.30 -3.43 117.51 120.86 1sht h ILE 92 Ca -0.26 -1.55 -0.54 0.00 -0.39 0.00 0.00 64.86 62.12 1sht h ILE 92 Cb 1.06 1.89 -0.39 0.00 -3.07 0.00 0.00 36.82 36.30 1sht h ILE 92 CO 1.21 0.47 -0.77 -0.22 -0.69 0.00 0.00 178.15 178.16 1sht s LEU 93 N -8.87 1.54 0.58 1.44 2.96 -0.65 -4.94 118.68 110.75 1sht s LEU 93 Ca -0.13 -0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 52.67 1sht s LEU 93 Cb 0.07 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1sht s LEU 93 CO 0.81 -0.29 1.30 -2.84 -1.32 0.00 0.00 176.35 174.01 1sht s PRO 94 N 1.74 2.98 -0.32 0.98 0.02 -1.26 -1.49 135.00 137.64 1sht s PRO 94 Ca -0.02 2.07 -0.44 0.00 0.02 0.00 0.00 61.00 62.63 1sht s PRO 94 Cb -0.18 -2.08 -0.20 0.00 0.02 0.00 0.00 34.50 32.06 1sht s PRO 94 CO -0.07 -1.27 1.41 -0.11 -0.33 0.00 0.00 177.00 176.63 1sht n LEU 95 N -1.36 0.77 -3.57 -5.54 7.94 -1.25 -4.71 117.00 109.28 1sht n LEU 95 Ca 0.12 1.18 -0.17 0.00 -1.11 0.00 0.00 56.01 56.04 1sht n LEU 95 Cb 0.47 -0.89 -0.06 0.00 0.53 0.00 0.00 43.42 43.46 1sht n LEU 95 CO 0.49 -1.22 0.34 0.28 -1.11 0.00 0.00 177.39 176.17 1sht s THR 96 N 1.93 0.01 -2.54 1.96 -1.32 -0.16 -4.93 115.64 110.59 1sht s THR 96 Ca 1.00 -0.12 0.23 0.00 -1.21 0.00 0.00 61.69 61.59 1sht s THR 96 Cb -1.42 -0.92 0.10 0.00 -1.51 0.00 0.00 72.50 68.75 1sht s THR 96 CO 0.73 -0.06 1.17 0.61 -2.21 0.00 0.00 174.62 174.86 1sht n GLY 97 N 0.91 0.56 3.63 6.08 0.00 -1.26 -0.80 105.19 114.31 1sht n GLY 97 Ca -0.19 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1sht n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sht s ASP 98 N -2.17 6.55 0.38 1.61 -1.08 -1.26 -4.92 116.67 115.79 1sht s ASP 98 Ca 0.23 1.35 0.08 0.00 -0.52 0.00 0.00 52.55 53.69 1sht s ASP 98 Cb 0.19 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.88 1sht s ASP 98 CO 0.41 -1.16 1.93 0.03 0.52 0.00 0.00 175.17 176.90 1sht h ARG 99 N 9.89 0.34 -0.50 4.34 2.47 -1.99 -0.86 114.38 128.07 1sht h ARG 99 Ca -0.29 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.35 1sht h ARG 99 Cb 1.12 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 1sht h ARG 99 CO 1.02 0.40 0.25 0.78 0.56 0.00 0.00 179.97 182.98 1sht h GLY 100 N 0.70 0.77 1.25 0.04 0.00 -1.99 -0.66 103.07 103.17 1sht h GLY 100 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1sht h GLY 100 CO 0.01 0.36 -0.15 0.50 0.00 0.00 0.00 176.54 177.26 1sht h LYS 101 N 0.66 0.87 -0.15 4.80 1.57 -1.81 -1.68 116.57 120.84 1sht h LYS 101 Ca 0.17 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1sht h LYS 101 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1sht h LYS 101 CO -0.02 0.96 0.09 0.82 -0.57 0.00 0.00 179.45 180.72 1sht h ILE 102 N 0.78 1.08 -0.59 1.86 2.04 -0.95 0.75 117.51 122.49 1sht h ILE 102 Ca 0.12 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1sht h ILE 102 Cb 0.67 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1sht h ILE 102 CO 0.05 0.08 0.31 -1.28 0.00 0.00 0.00 178.15 177.30 1sht h SER 103 N 0.16 0.45 -0.52 1.72 0.87 -0.93 -0.28 113.55 115.01 1sht h SER 103 Ca 0.05 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1sht h SER 103 Cb 0.05 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1sht h SER 103 CO -0.01 0.30 0.12 0.50 -0.53 0.00 0.00 176.83 177.21 1sht h LYS 104 N 0.58 0.89 -0.91 2.24 1.63 -1.08 -1.50 116.57 118.42 1sht h LYS 104 Ca 0.26 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1sht h LYS 104 Cb 0.17 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1sht h LYS 104 CO -0.17 0.81 0.54 0.78 -3.45 0.00 0.00 179.45 177.95 1sht h GLY 105 N 1.00 1.34 1.12 5.01 0.00 -0.04 -1.33 103.07 110.17 1sht h GLY 105 Ca 0.18 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1sht h GLY 105 CO 0.00 0.55 0.08 1.41 0.00 0.00 0.00 176.54 178.58 1sht h LEU 106 N 1.26 1.02 -0.74 3.11 3.38 -0.62 -1.32 115.31 121.41 1sht h LEU 106 Ca 0.33 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1sht h LEU 106 Cb -0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 1sht h LEU 106 CO -0.06 1.03 0.46 -0.33 0.09 0.00 0.00 178.44 179.63 1sht h GLU 107 N 0.99 0.85 -0.70 1.13 4.39 -0.98 -1.48 114.58 118.78 1sht h GLU 107 Ca 0.19 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1sht h GLU 107 Cb 0.46 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1sht h GLU 107 CO 0.02 0.56 0.15 -0.44 -1.16 0.00 0.00 179.01 178.13 1sht h ASP 108 N 0.87 1.09 -0.26 1.42 3.32 -0.85 -2.77 116.42 119.24 1sht h ASP 108 Ca 0.31 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1sht h ASP 108 Cb 0.07 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1sht h ASP 108 CO -0.13 1.05 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.35 1sht h LEU 109 N 1.07 0.57 -2.00 1.55 3.38 -0.86 -1.63 115.31 117.40 1sht h LEU 109 Ca 0.22 -0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.26 1sht h LEU 109 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sht h LEU 109 CO 0.01 0.66 0.50 0.11 0.09 0.00 0.00 178.44 179.81 1sht h LYS 110 N 0.57 0.00 -0.02 1.13 1.57 -0.98 -1.88 116.57 116.95 1sht h LYS 110 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1sht h LYS 110 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1sht h LYS 110 CO 0.02 0.00 -0.05 0.54 -0.57 0.00 0.00 179.45 179.39 1sht n ARG 111 N -4.24 1.76 -2.28 3.15 5.12 -0.62 -4.93 116.66 114.62 1sht n ARG 111 Ca 0.13 -1.20 -0.41 0.00 -1.93 0.00 0.00 57.85 54.44 1sht n ARG 111 Cb 0.76 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.56 1sht n ARG 111 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sht s VAL 112 N -2.07 3.10 -0.46 1.55 1.01 -0.71 -5.01 120.40 117.81 1sht s VAL 112 Ca 0.33 1.08 0.04 0.00 0.00 0.00 0.00 61.98 63.43 1sht s VAL 112 Cb 0.20 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 33.01 1sht s VAL 112 CO 0.35 0.25 0.19 -0.44 0.00 0.00 0.00 175.10 175.45 1sht s SER 113 N -0.54 4.44 0.23 3.32 0.01 -1.26 -5.09 113.70 114.81 1sht s SER 113 Ca 0.48 -2.72 -0.31 0.00 1.31 0.00 0.00 55.95 54.71 1sht s SER 113 Cb -0.36 -1.62 -0.11 0.00 0.21 0.00 0.00 66.02 64.14 1sht s SER 113 CO 0.46 -0.28 1.61 -2.84 0.41 0.00 0.00 173.24 172.60 1sht s PRO 114 N 0.12 4.17 -0.20 12.44 0.02 -1.26 -4.97 135.00 145.32 1sht s PRO 114 Ca 0.15 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 1sht s PRO 114 Cb -0.24 -3.09 0.15 0.00 0.02 0.00 0.00 34.50 31.35 1sht s PRO 114 CO -0.03 -0.64 1.15 0.54 -0.33 0.00 0.00 177.00 177.70 1sht s VAL 115 N 0.67 0.00 0.00 3.83 0.11 -0.26 -4.62 120.40 120.13 1sht s VAL 115 Ca 0.68 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1sht s VAL 115 Cb -0.47 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1sht s VAL 115 CO 0.38 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1sht n GLY 116 N 0.50 -1.69 3.79 6.54 0.00 -1.26 -4.04 105.19 109.04 1sht n GLY 116 Ca -0.05 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 1sht n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sht s GLU 117 N 0.00 0.43 -0.65 1.61 0.41 -1.26 -0.86 118.70 118.38 1sht s GLU 117 Ca 0.00 -0.04 0.05 0.00 -0.41 0.00 0.00 54.97 54.57 1sht s GLU 117 Cb 0.00 -1.79 0.19 0.00 -1.78 0.00 0.00 34.13 30.75 1sht s GLU 117 CO 0.00 -2.61 0.53 2.41 -0.49 0.00 0.00 175.26 175.10 1sht n THR 118 N -3.99 1.37 -3.04 3.63 -1.04 -1.25 -2.96 114.28 107.00 1sht n THR 118 Ca 0.11 -4.74 -0.43 0.00 -2.04 0.00 0.00 64.05 56.95 1sht n THR 118 Cb 0.59 -2.10 0.01 0.00 -1.82 0.00 0.00 70.33 67.01 1sht n THR 118 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1sht n TYR 119 N 1.81 2.55 0.14 -1.42 4.01 -0.30 -4.82 117.16 119.13 1sht n TYR 119 Ca 0.23 -2.71 0.05 0.00 -0.16 0.00 0.00 57.90 55.31 1sht n TYR 119 Cb 0.38 -1.29 0.48 0.00 -0.31 0.00 0.00 39.34 38.60 1sht n TYR 119 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1sht h ILE 120 N 3.44 1.10 -0.51 -0.72 2.10 -1.93 -1.72 117.51 119.27 1sht h ILE 120 Ca 0.20 -0.39 0.06 0.00 1.08 0.00 0.00 64.86 65.81 1sht h ILE 120 Cb 0.64 0.98 -0.03 0.00 -1.09 0.00 0.00 36.82 37.32 1sht h ILE 120 CO 1.30 0.13 0.34 1.12 -1.08 0.00 0.00 178.15 179.97 1sht h HIS 121 N 0.22 0.45 -0.06 2.19 2.07 -1.87 -1.45 115.15 116.70 1sht h HIS 121 Ca 0.05 0.01 -0.16 0.00 -2.85 0.00 0.00 60.37 57.43 1sht h HIS 121 Cb 0.15 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1sht h HIS 121 CO 0.00 0.24 -0.66 0.93 -3.07 0.00 0.00 177.93 175.37 1sht h GLU 122 N 0.45 0.23 -0.14 5.12 4.39 -1.71 -0.61 114.58 122.32 1sht h GLU 122 Ca 0.22 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1sht h GLU 122 Cb 0.30 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1sht h GLU 122 CO -0.06 0.81 0.03 0.78 -1.16 0.00 0.00 179.01 179.42 1sht h GLY 123 N 1.55 0.23 0.75 -3.84 0.00 -1.33 -2.66 103.07 97.77 1sht h GLY 123 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.23 1sht h GLY 123 CO 0.10 0.14 0.57 1.41 0.00 0.00 0.00 176.54 178.76 1sht h LEU 124 N 0.02 0.90 -0.94 3.11 3.38 -1.18 -2.73 115.31 117.87 1sht h LEU 124 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1sht h LEU 124 Cb 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1sht h LEU 124 CO 0.00 0.58 0.61 0.50 0.09 0.00 0.00 178.44 180.23 1sht h LYS 125 N 1.04 1.16 -0.30 1.13 3.64 -1.01 0.39 116.57 122.61 1sht h LYS 125 Ca 0.39 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1sht h LYS 125 Cb 0.14 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1sht h LYS 125 CO -0.16 0.77 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.53 1sht h LEU 126 N 1.19 0.54 -0.02 5.20 3.38 -1.23 -0.36 115.31 124.01 1sht h LEU 126 Ca 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1sht h LEU 126 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sht h LEU 126 CO -0.12 0.73 0.01 0.00 0.09 0.00 0.00 178.44 179.15 1sht h ALA 127 N 1.32 0.02 -0.94 1.53 0.00 -1.08 -2.89 119.26 117.21 1sht h ALA 127 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sht h ALA 127 Cb 0.59 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1sht h ALA 127 CO 0.04 -0.45 0.56 -0.91 0.00 0.00 0.00 179.25 178.50 1sht h ASN 128 N -0.04 1.14 -0.90 0.00 2.35 -0.49 -1.10 115.58 116.54 1sht h ASN 128 Ca 0.01 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1sht h ASN 128 Cb 0.06 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1sht h ASN 128 CO -0.00 0.88 0.59 -0.33 -1.65 0.00 0.00 177.43 176.92 1sht h GLU 129 N 1.30 1.19 -0.07 0.81 5.08 -1.08 0.18 114.58 121.99 1sht h GLU 129 Ca 0.34 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 1sht h GLU 129 Cb -0.05 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.94 1sht h GLU 129 CO -0.06 0.79 -0.81 1.96 -1.00 0.00 0.00 179.01 179.89 1sht h GLN 130 N 1.22 0.48 -0.71 2.33 4.20 -1.16 -1.61 115.11 119.87 1sht h GLN 130 Ca 0.33 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1sht h GLN 130 Cb -0.13 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1sht h GLN 130 CO -0.07 1.07 0.36 0.82 -0.67 0.00 0.00 178.83 180.33 1sht h ILE 131 N 0.31 1.23 -0.36 2.54 2.04 -0.87 0.68 117.51 123.07 1sht h ILE 131 Ca -0.05 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1sht h ILE 131 Cb 1.41 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1sht h ILE 131 CO 0.14 0.27 0.01 1.56 0.00 0.00 0.00 178.15 180.13 1sht h GLN 132 N 0.99 0.63 0.00 2.37 4.20 -0.81 0.12 115.11 122.61 1sht h GLN 132 Ca 0.25 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1sht h GLN 132 Cb 0.10 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1sht h GLN 132 CO -0.03 0.73 -0.34 -0.22 -0.67 0.00 0.00 178.83 178.30 1sht h LYS 133 N 0.45 0.00 0.00 1.46 3.64 -0.90 -2.46 116.57 118.75 1sht h LYS 133 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1sht h LYS 133 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sht h LYS 133 CO 0.02 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 1sht n ALA 134 N -2.46 2.27 0.00 5.00 0.00 0.20 -4.89 120.51 120.62 1sht n ALA 134 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sht n ALA 134 Cb 0.38 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1sht n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sht n GLY 135 N 1.30 1.03 7.00 0.00 0.00 -0.85 -4.79 105.19 108.88 1sht n GLY 135 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sht n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sht n GLY 136 N 0.00 1.49 0.27 -0.02 0.00 0.36 -1.80 105.19 105.50 1sht n GLY 136 Ca 0.00 0.62 0.15 0.00 0.00 0.00 0.00 46.02 46.79 1sht n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sht h LEU 137 N 0.00 0.00 0.00 0.99 3.38 -1.86 -1.12 115.31 116.69 1sht h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sht h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sht h LEU 137 CO 0.00 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1sht n LYS 138 N -3.44 0.76 -4.16 1.13 5.02 -0.75 -4.81 118.16 111.91 1sht n LYS 138 Ca -0.01 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1sht n LYS 138 Cb 0.24 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1sht n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sht s THR 139 N -2.10 4.15 -0.92 -0.18 -4.23 -0.43 -5.02 115.64 106.92 1sht s THR 139 Ca 0.38 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 1sht s THR 139 Cb 0.18 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 71.05 1sht s THR 139 CO 0.33 -0.30 0.85 -0.94 -0.54 0.00 0.00 174.62 174.02 1sht s SER 140 N -3.61 6.61 -0.08 3.99 1.04 -1.26 -4.87 113.70 115.51 1sht s SER 140 Ca 0.32 -3.26 -0.05 0.00 0.48 0.00 0.00 55.95 53.44 1sht s SER 140 Cb -0.08 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1sht s SER 140 CO 0.23 -0.36 0.12 -0.44 0.98 0.00 0.00 173.24 173.77 1sht s SER 141 N 1.17 6.15 -0.06 7.02 0.01 -1.26 -1.95 113.70 124.79 1sht s SER 141 Ca 0.24 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.89 1sht s SER 141 Cb -0.11 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.21 1sht s SER 141 CO -0.09 0.36 -0.11 -0.63 0.41 0.00 0.00 173.24 173.18 1sht s ILE 142 N -1.09 1.04 -0.16 1.44 -1.09 -0.19 -1.60 121.20 119.56 1sht s ILE 142 Ca 0.18 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1sht s ILE 142 Cb -0.12 -0.96 -0.02 0.00 -1.58 0.00 0.00 42.46 39.79 1sht s ILE 142 CO 0.08 0.33 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.42 1sht s ILE 143 N 0.63 3.48 -0.30 2.92 1.01 -0.08 -0.66 121.20 128.20 1sht s ILE 143 Ca -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1sht s ILE 143 Cb -0.15 -2.52 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1sht s ILE 143 CO 0.03 0.49 -0.01 -0.63 0.00 0.00 0.00 174.94 174.82 1sht s ILE 144 N 0.57 2.09 -0.22 2.92 1.01 0.07 -0.12 121.20 127.52 1sht s ILE 144 Ca -0.05 -1.94 -0.15 0.00 0.00 0.00 0.00 60.65 58.51 1sht s ILE 144 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1sht s ILE 144 CO 0.03 -0.36 0.38 0.00 0.00 0.00 0.00 174.94 175.00 1sht s ALA 145 N 1.06 3.56 -0.35 9.38 0.00 -0.20 -1.10 121.76 134.12 1sht s ALA 145 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1sht s ALA 145 Cb -0.19 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 1sht s ALA 145 CO -0.08 -0.39 0.22 -0.51 0.00 0.00 0.00 175.76 175.00 1sht s LEU 146 N 1.51 4.53 0.09 0.00 2.01 -0.43 -0.10 118.68 126.28 1sht s LEU 146 Ca 0.17 -0.63 -0.26 0.00 0.01 0.00 0.00 54.13 53.42 1sht s LEU 146 Cb -0.15 -2.08 0.08 0.00 0.01 0.00 0.00 46.19 44.05 1sht s LEU 146 CO 0.08 -0.29 0.76 0.28 1.01 0.00 0.00 176.35 178.20 1sht s THR 147 N 1.65 0.00 -1.46 5.49 -1.32 -0.98 -1.40 115.64 117.61 1sht s THR 147 Ca 0.05 -0.08 0.28 0.00 -1.21 0.00 0.00 61.69 60.73 1sht s THR 147 Cb -0.18 -1.10 0.38 0.00 -1.51 0.00 0.00 72.50 70.09 1sht s THR 147 CO 0.08 0.00 1.83 -0.90 -2.21 0.00 0.00 174.62 173.43 1sht n ASP 148 N -0.33 0.37 -0.84 8.08 5.68 -1.26 -0.86 116.55 127.39 1sht n ASP 148 Ca -0.12 -0.35 -0.11 0.00 -0.50 0.00 0.00 54.79 53.72 1sht n ASP 148 Cb 0.63 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1sht n ASP 148 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sht n GLY 149 N 1.34 1.18 3.43 6.12 0.00 -1.26 -1.00 105.19 114.99 1sht n GLY 149 Ca 0.12 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1sht n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sht s LYS 150 N -2.78 3.41 0.06 1.61 1.02 -1.26 -4.58 119.74 117.21 1sht s LYS 150 Ca 0.00 -1.58 0.09 0.00 0.02 0.00 0.00 55.97 54.50 1sht s LYS 150 Cb 0.00 -4.62 -0.03 0.00 -0.52 0.00 0.00 37.83 32.66 1sht s LYS 150 CO 0.00 -1.69 -0.24 -0.51 -0.92 0.00 0.00 175.35 171.99 1sht s LEU 151 N 2.70 2.34 0.27 3.17 1.43 -1.26 -4.90 118.68 122.43 1sht s LEU 151 Ca 0.25 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1sht s LEU 151 Cb -0.11 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 1sht s LEU 151 CO -0.03 0.24 -0.01 -1.81 0.23 0.00 0.00 176.35 174.97 1sht s ASP 152 N -1.45 2.37 1.91 2.29 1.01 -1.26 -4.83 116.67 116.71 1sht s ASP 152 Ca 0.13 -1.24 0.00 0.00 0.71 0.00 0.00 52.55 52.15 1sht s ASP 152 Cb -0.10 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.74 1sht s ASP 152 CO 0.04 -0.46 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1sht n GLY 153 N -0.56 3.35 0.22 0.21 0.00 -1.26 -1.39 105.19 105.77 1sht n GLY 153 Ca -0.05 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1sht n GLY 153 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sht n LEU 154 N 0.00 0.71 -0.22 0.99 4.77 -1.26 -4.35 117.00 117.65 1sht n LEU 154 Ca 0.00 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 1sht n LEU 154 Cb 0.00 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1sht n LEU 154 CO 0.00 0.12 0.97 0.58 -1.33 0.00 0.00 177.39 177.72 1sht h VAL 155 N 1.10 1.25 -0.87 4.08 2.07 -1.61 -1.84 116.25 120.43 1sht h VAL 155 Ca 0.00 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.71 1sht h VAL 155 Cb 0.25 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1sht h VAL 155 CO 0.00 0.35 0.51 -0.65 0.02 0.00 0.00 177.57 177.80 1sht h PRO 156 N 0.99 0.82 -0.52 1.57 0.11 -1.76 0.91 132.00 134.12 1sht h PRO 156 Ca 0.21 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1sht h PRO 156 Cb 0.34 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1sht h PRO 156 CO -0.00 0.54 -0.12 0.66 -0.21 0.00 0.00 178.00 178.87 1sht h SER 157 N 0.84 0.98 -0.37 -2.05 4.64 -1.66 -1.08 113.55 114.85 1sht h SER 157 Ca 0.42 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1sht h SER 157 Cb 0.40 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1sht h SER 157 CO -0.25 1.10 0.05 1.88 -0.87 0.00 0.00 176.83 178.73 1sht h TYR 158 N 0.87 0.67 -0.48 4.77 0.05 -0.81 -2.06 116.97 119.97 1sht h TYR 158 Ca 0.13 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 1sht h TYR 158 Cb 0.68 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 1sht h TYR 158 CO 0.04 0.69 0.01 0.00 -1.05 0.00 0.00 178.16 177.85 1sht h ALA 159 N 0.90 0.65 -0.36 3.88 0.00 -0.64 -1.20 119.26 122.49 1sht h ALA 159 Ca 0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1sht h ALA 159 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sht h ALA 159 CO 0.01 0.45 -0.33 0.93 0.00 0.00 0.00 179.25 180.31 1sht h GLU 160 N 0.71 0.80 -0.27 0.00 5.08 -1.16 -1.71 114.58 118.03 1sht h GLU 160 Ca 0.14 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1sht h GLU 160 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1sht h GLU 160 CO 0.02 1.01 0.01 -0.22 -1.00 0.00 0.00 179.01 178.82 1sht h LYS 161 N 0.67 0.47 -0.27 2.33 3.64 -1.31 -1.98 116.57 120.12 1sht h LYS 161 Ca 0.07 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1sht h LYS 161 Cb 0.87 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1sht h LYS 161 CO 0.08 0.63 -0.04 1.49 -2.27 0.00 0.00 179.45 179.34 1sht h GLU 162 N 0.26 0.42 -0.14 1.90 4.57 -0.98 -1.49 114.58 119.12 1sht h GLU 162 Ca 0.08 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 1sht h GLU 162 Cb 0.41 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1sht h GLU 162 CO 0.01 0.48 -0.61 0.00 -1.18 0.00 0.00 179.01 177.71 1sht h ALA 163 N 1.57 0.68 -0.74 2.92 0.00 -1.19 -0.26 119.26 122.24 1sht h ALA 163 Ca 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1sht h ALA 163 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1sht h ALA 163 CO 0.01 0.71 0.34 0.87 0.00 0.00 0.00 179.25 181.18 1sht h LYS 164 N 0.35 1.08 -0.43 0.00 1.57 -1.06 -1.56 116.57 116.52 1sht h LYS 164 Ca -0.01 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1sht h LYS 164 Cb 1.16 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.22 1sht h LYS 164 CO 0.11 0.86 0.09 0.82 -0.57 0.00 0.00 179.45 180.76 1sht h ILE 165 N 1.05 0.77 -0.40 1.86 2.04 -0.98 -1.66 117.51 120.19 1sht h ILE 165 Ca 0.25 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.10 1sht h ILE 165 Cb 0.15 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1sht h ILE 165 CO -0.03 0.04 0.08 0.28 0.00 0.00 0.00 178.15 178.53 1sht h SER 166 N 0.22 0.02 -0.83 1.72 0.02 -0.50 -1.19 113.55 113.02 1sht h SER 166 Ca 0.21 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1sht h SER 166 Cb 0.26 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1sht h SER 166 CO -0.27 0.05 0.54 0.03 -1.14 0.00 0.00 176.83 176.04 1sht h ARG 167 N 0.22 0.99 0.00 3.45 3.08 -1.07 -1.49 114.38 119.56 1sht h ARG 167 Ca 0.19 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1sht h ARG 167 Cb 0.23 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sht h ARG 167 CO -0.25 0.66 -0.11 0.66 -1.07 0.00 0.00 179.97 179.86 1sht h SER 168 N 1.02 0.00 -0.06 7.04 4.64 -0.28 -1.28 113.55 124.63 1sht h SER 168 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1sht h SER 168 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1sht h SER 168 CO -0.10 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1sht n LEU 169 N -3.65 1.24 0.00 5.97 4.77 -0.63 -4.89 117.00 119.81 1sht n LEU 169 Ca -0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1sht n LEU 169 Cb 0.22 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1sht n LEU 169 CO 0.30 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1sht n GLY 170 N 1.10 0.72 3.80 -0.72 0.00 -0.48 -2.97 105.19 106.64 1sht n GLY 170 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1sht n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sht s ALA 171 N -2.49 2.93 -0.17 4.61 0.00 -0.79 -4.51 121.76 121.33 1sht s ALA 171 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1sht s ALA 171 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1sht s ALA 171 CO 0.00 -0.22 -0.01 -1.12 0.00 0.00 0.00 175.76 174.42 1sht s SER 172 N -1.97 5.02 -0.22 0.00 0.01 -0.63 -4.06 113.70 111.85 1sht s SER 172 Ca 0.65 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.74 1sht s SER 172 Cb -0.16 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 1sht s SER 172 CO 0.19 0.16 0.10 -0.69 0.41 0.00 0.00 173.24 173.42 1sht s VAL 173 N 0.44 4.89 0.10 3.43 1.01 -1.26 -0.90 120.40 128.11 1sht s VAL 173 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1sht s VAL 173 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1sht s VAL 173 CO 0.02 0.38 -0.16 -0.31 0.00 0.00 0.00 175.10 175.03 1sht s TYR 174 N 0.98 2.60 -0.08 5.22 1.51 0.83 -1.55 117.35 126.86 1sht s TYR 174 Ca 0.05 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1sht s TYR 174 Cb -0.14 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1sht s TYR 174 CO 0.03 0.37 -0.16 0.00 -1.11 0.00 0.00 175.55 174.68 1sht s VAL 176 N 0.53 3.32 0.04 0.00 1.01 0.85 -1.56 120.40 124.59 1sht s VAL 176 Ca -0.16 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 1sht s VAL 176 Cb -0.16 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1sht s VAL 176 CO 0.05 0.17 0.75 -0.83 0.00 0.00 0.00 175.10 175.24 1sht s GLY 177 N 1.40 2.78 -0.08 4.51 0.00 0.64 -2.33 107.32 114.23 1sht s GLY 177 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1sht s GLY 177 CO -0.02 1.05 -0.08 0.14 0.00 0.00 0.00 173.10 174.19 1sht s VAL 178 N -0.12 3.57 0.00 1.40 1.01 -0.04 -1.15 120.40 125.08 1sht s VAL 178 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1sht s VAL 178 Cb -0.20 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1sht s VAL 178 CO 0.22 0.57 0.00 0.18 0.00 0.00 0.00 175.10 176.08 1sht n LEU 179 N 2.56 0.00 -3.72 3.92 4.77 -1.26 -3.38 117.00 119.89 1sht n LEU 179 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 1sht n LEU 179 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1sht n LEU 179 CO 0.28 0.00 2.51 -0.90 -1.33 0.00 0.00 177.39 177.95 1sht n ASP 180 N -0.13 4.99 -4.81 -1.43 5.75 -1.26 -4.97 116.55 114.70 1sht n ASP 180 Ca 0.00 -2.92 -0.32 0.00 -0.01 0.00 0.00 54.79 51.54 1sht n ASP 180 Cb 0.00 -1.57 0.03 0.00 -1.03 0.00 0.00 41.12 38.54 1sht n ASP 180 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1sht s PHE 181 N 1.93 3.09 -0.92 2.11 -0.12 -1.22 -4.97 117.98 117.89 1sht s PHE 181 Ca 0.47 1.46 -0.21 0.00 -0.05 0.00 0.00 56.93 58.60 1sht s PHE 181 Cb 0.13 -2.93 0.09 0.00 -0.63 0.00 0.00 43.02 39.68 1sht s PHE 181 CO -0.06 -1.11 1.24 -1.21 -0.05 0.00 0.00 175.22 174.03 1sht s GLU 182 N -4.54 3.51 0.23 1.99 0.41 -0.17 -4.91 118.70 115.22 1sht s GLU 182 Ca 0.61 -1.31 -0.09 0.00 -0.41 0.00 0.00 54.97 53.77 1sht s GLU 182 Cb -0.15 -4.95 0.36 0.00 -1.78 0.00 0.00 34.13 27.62 1sht s GLU 182 CO 0.45 -1.97 1.65 0.37 -0.49 0.00 0.00 175.26 175.28 1sht h GLN 183 N 9.36 0.12 -0.18 1.61 5.75 -1.93 -0.95 115.11 128.90 1sht h GLN 183 Ca 0.09 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.41 1sht h GLN 183 Cb 1.03 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 1sht h GLN 183 CO 1.25 0.08 -0.59 0.00 -2.65 0.00 0.00 178.83 176.92 1sht h ALA 184 N 1.62 0.63 -0.54 3.38 0.00 -1.99 -1.10 119.26 121.26 1sht h ALA 184 Ca 0.36 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sht h ALA 184 Cb 0.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1sht h ALA 184 CO -0.58 0.70 0.18 0.37 0.00 0.00 0.00 179.25 179.92 1sht h GLN 185 N 0.44 0.84 -0.49 0.00 5.75 -1.74 -1.95 115.11 117.96 1sht h GLN 185 Ca -0.00 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1sht h GLN 185 Cb 1.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 1sht h GLN 185 CO 0.11 0.77 0.13 -0.07 -2.65 0.00 0.00 178.83 177.12 1sht h LEU 186 N 0.75 0.68 -1.54 -2.39 3.38 -0.90 -2.44 115.31 112.85 1sht h LEU 186 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1sht h LEU 186 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sht h LEU 186 CO -0.01 0.66 -0.22 -0.33 0.09 0.00 0.00 178.44 178.64 1sht h GLU 187 N 0.71 0.00 0.00 1.13 5.08 -0.78 -0.36 114.58 120.37 1sht h GLU 187 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sht h GLU 187 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sht h GLU 187 CO -0.01 0.22 -0.17 0.54 -1.00 0.00 0.00 179.01 178.59 1sht n ARG 188 N -3.72 0.11 -0.10 2.33 1.74 -0.77 -3.94 116.66 112.30 1sht n ARG 188 Ca -0.01 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.89 1sht n ARG 188 Cb 0.33 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1sht n ARG 188 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sht n ILE 189 N -1.78 1.57 -1.30 0.55 5.41 -0.90 -4.78 119.36 118.13 1sht n ILE 189 Ca 0.06 -0.33 -0.30 0.00 1.00 0.00 0.00 62.75 63.18 1sht n ILE 189 Cb 0.38 -1.85 0.12 0.00 -0.71 0.00 0.00 39.64 37.58 1sht n ILE 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sht s ALA 190 N -2.47 1.83 0.48 -1.39 0.00 -0.19 -4.83 121.76 115.19 1sht s ALA 190 Ca -0.32 -0.05 0.27 0.00 0.00 0.00 0.00 51.96 51.86 1sht s ALA 190 Cb 0.10 -3.18 1.56 0.00 0.00 0.00 0.00 23.12 21.60 1sht s ALA 190 CO 0.59 -2.10 2.14 -0.44 0.00 0.00 0.00 175.76 175.94 1sht h ASP 191 N -1.37 0.00 -5.02 0.00 3.32 -1.57 -3.46 116.42 108.32 1sht h ASP 191 Ca -0.48 0.00 0.30 0.00 0.02 0.00 0.00 57.03 56.87 1sht h ASP 191 Cb 1.27 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.67 1sht h ASP 191 CO 0.55 0.08 0.84 -0.94 -1.72 0.00 0.00 179.24 178.05 1sht s SER 192 N -6.22 -0.09 0.53 6.45 1.04 -1.26 -5.02 113.70 109.13 1sht s SER 192 Ca -0.04 -0.07 0.30 0.00 0.48 0.00 0.00 55.95 56.63 1sht s SER 192 Cb 0.14 0.14 1.44 0.00 0.10 0.00 0.00 66.02 67.85 1sht s SER 192 CO 0.58 -0.25 2.04 0.07 0.98 0.00 0.00 173.24 176.66 1sht h LYS 193 N 2.00 0.00 0.00 4.02 2.10 -1.89 -0.70 116.57 122.10 1sht h LYS 193 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1sht h LYS 193 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1sht h LYS 193 CO 0.25 0.10 0.00 0.39 -2.00 0.00 0.00 179.45 178.20 1sht n GLU 194 N -3.42 0.05 -0.44 0.07 4.71 -1.26 -2.49 120.64 117.86 1sht n GLU 194 Ca -0.01 0.31 0.08 0.00 -0.01 0.00 0.00 57.16 57.53 1sht n GLU 194 Cb 0.27 -1.60 0.26 0.00 -1.01 0.00 0.00 31.44 29.35 1sht n GLU 194 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1sht n GLN 195 N -1.70 3.12 -4.36 3.49 6.02 -0.27 -4.90 117.38 118.78 1sht n GLN 195 Ca 0.03 -2.72 -0.34 0.00 -0.01 0.00 0.00 57.00 53.97 1sht n GLN 195 Cb 0.18 -1.77 -0.12 0.00 1.02 0.00 0.00 30.24 29.55 1sht n GLN 195 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sht s VAL 196 N -2.41 3.79 0.01 5.09 1.01 -1.04 -1.52 120.40 125.33 1sht s VAL 196 Ca 0.40 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1sht s VAL 196 Cb 0.30 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1sht s VAL 196 CO 0.12 0.48 -0.06 -0.36 0.00 0.00 0.00 175.10 175.28 1sht s PHE 197 N 0.52 0.55 0.33 5.22 0.08 -0.60 -5.00 117.98 119.08 1sht s PHE 197 Ca -0.03 -0.24 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 1sht s PHE 197 Cb -0.14 -0.34 -0.09 0.00 -0.57 0.00 0.00 43.02 41.87 1sht s PHE 197 CO 0.03 -0.04 1.03 -1.25 -0.10 0.00 0.00 175.22 174.89 1sht s PRO 198 N -0.66 4.49 0.39 0.24 0.04 -1.26 -0.26 135.00 137.97 1sht s PRO 198 Ca -0.02 1.57 0.19 0.00 0.04 0.00 0.00 61.00 62.78 1sht s PRO 198 Cb -0.05 -2.90 0.78 0.00 0.04 0.00 0.00 34.50 32.37 1sht s PRO 198 CO 0.00 0.14 1.78 -0.24 0.04 0.00 0.00 177.00 178.72 1sht h VAL 199 N 2.69 0.87 -3.73 -0.36 3.04 -1.43 -3.42 116.25 113.91 1sht h VAL 199 Ca -0.47 -1.37 -0.33 0.00 -1.01 0.00 0.00 66.70 63.52 1sht h VAL 199 Cb 1.21 1.83 -0.30 0.00 -2.01 0.00 0.00 31.29 32.02 1sht h VAL 199 CO 0.65 0.33 -0.75 -0.75 -1.01 0.00 0.00 177.57 176.04 1sht s LYS 200 N -3.73 0.39 0.00 4.17 2.20 -1.26 -4.88 119.74 116.62 1sht s LYS 200 Ca -0.01 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1sht s LYS 200 Cb 0.12 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1sht s LYS 200 CO 0.68 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 1sht n GLY 201 N 3.39 1.13 3.89 5.54 0.00 -1.26 -5.04 105.19 112.84 1sht n GLY 201 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1sht n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sht s GLY 202 N -1.83 1.62 -0.39 -0.02 0.00 -1.26 -5.02 107.32 100.41 1sht s GLY 202 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.09 1sht s GLY 202 CO 0.00 -0.07 0.84 -0.12 0.00 0.00 0.00 173.10 173.75 1sht s PHE 203 N -3.18 3.06 -1.40 1.90 5.36 -1.26 -4.39 117.98 118.06 1sht s PHE 203 Ca 0.56 0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 57.02 1sht s PHE 203 Cb -0.11 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 38.99 1sht s PHE 203 CO 0.50 -0.85 0.36 1.04 -1.46 0.00 0.00 175.22 174.82 1sht n GLN 204 N 6.66 -2.32 -0.34 10.12 6.02 -1.26 -4.86 117.38 131.40 1sht n GLN 204 Ca 0.04 0.31 -0.01 0.00 -0.01 0.00 0.00 57.00 57.33 1sht n GLN 204 Cb 0.48 -4.12 0.14 0.00 1.02 0.00 0.00 30.24 27.76 1sht n GLN 204 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sht h ALA 205 N 0.88 1.32 0.15 -1.58 0.00 -1.89 -0.70 119.26 117.45 1sht h ALA 205 Ca -0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1sht h ALA 205 Cb 1.38 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sht h ALA 205 CO 0.63 0.63 -0.07 1.25 0.00 0.00 0.00 179.25 181.68 1sht h LEU 206 N 1.29 -0.17 -1.08 0.00 5.85 -1.92 -0.91 115.31 118.36 1sht h LEU 206 Ca 0.35 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1sht h LEU 206 Cb -0.14 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1sht h LEU 206 CO -0.08 0.09 0.62 0.50 -0.34 0.00 0.00 178.44 179.24 1sht h LYS 207 N -0.44 1.10 -0.45 1.25 3.64 -1.94 -2.03 116.57 117.69 1sht h LYS 207 Ca -0.02 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1sht h LYS 207 Cb 0.35 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1sht h LYS 207 CO 0.03 0.72 0.08 0.78 -2.27 0.00 0.00 179.45 178.80 1sht h GLY 208 N 1.13 0.80 1.34 5.01 0.00 -0.98 -1.09 103.07 109.28 1sht h GLY 208 Ca 0.40 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 1sht h GLY 208 CO -0.14 0.49 -0.40 1.19 0.00 0.00 0.00 176.54 177.68 1sht h ILE 209 N 0.61 1.29 -0.36 2.60 2.10 -0.94 -0.90 117.51 121.91 1sht h ILE 209 Ca 0.14 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 64.51 1sht h ILE 209 Cb 0.38 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.57 1sht h ILE 209 CO 0.01 0.51 0.24 0.40 -1.08 0.00 0.00 178.15 178.22 1sht h ILE 210 N 0.59 1.09 -0.44 2.19 2.04 -1.26 -1.29 117.51 120.43 1sht h ILE 210 Ca 0.05 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1sht h ILE 210 Cb 0.94 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1sht h ILE 210 CO 0.09 0.09 0.18 0.78 0.00 0.00 0.00 178.15 179.29 1sht h ASN 211 N 0.49 0.61 -0.49 1.72 -0.26 -1.07 -0.86 115.58 115.71 1sht h ASN 211 Ca 0.13 -0.17 0.07 0.00 -0.56 0.00 0.00 56.30 55.77 1sht h ASN 211 Cb -0.06 -0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 36.99 1sht h ASN 211 CO -0.03 0.61 0.18 -1.28 -1.06 0.00 0.00 177.43 175.85 1sht h SER 212 N 0.57 0.18 -0.29 5.81 0.87 -1.00 -1.61 113.55 118.09 1sht h SER 212 Ca 0.15 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1sht h SER 212 Cb 0.19 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1sht h SER 212 CO -0.01 0.13 0.00 0.40 -0.53 0.00 0.00 176.83 176.82 1sht h ILE 213 N 0.35 1.26 -0.14 2.23 2.04 -0.76 -2.82 117.51 119.68 1sht h ILE 213 Ca 0.24 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1sht h ILE 213 Cb 0.25 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1sht h ILE 213 CO -0.24 0.30 -0.06 -0.07 0.00 0.00 0.00 178.15 178.08 1sht h LEU 214 N 0.30 0.19 0.00 1.44 3.38 -1.08 -1.03 115.31 118.51 1sht h LEU 214 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sht h LEU 214 Cb 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sht h LEU 214 CO 0.01 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1sht n ALA 215 N -2.50 2.51 0.00 1.53 0.00 -0.61 -4.94 120.51 116.49 1sht n ALA 215 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sht n ALA 215 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1sht n ALA 215 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sht n GLN 216 N -0.57 0.00 0.00 0.00 7.27 -0.39 -5.06 117.38 118.62 1sht n GLN 216 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1sht n GLN 216 Cb 0.02 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.67 1sht n GLN 216 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58