#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noy n PRO 11 N 0.00 0.21 -3.67 0.00 -0.04 -1.26 -4.72 135.00 125.51 2noy n PRO 11 Ca 0.00 -0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 2noy n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 2noy n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2noy s LEU 12 N -2.80 0.13 0.02 1.53 2.96 -1.26 -0.51 118.68 118.75 2noy s LEU 12 Ca 0.20 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2noy s LEU 12 Cb 0.19 -0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.86 2noy s LEU 12 CO 0.52 -0.24 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.92 2noy s MET 13 N 2.14 0.46 -0.04 1.98 -2.45 -0.44 -4.32 119.30 116.62 2noy s MET 13 Ca 0.04 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 53.98 2noy s MET 13 Cb -0.12 -0.29 -0.00 0.00 1.25 0.00 0.00 34.83 35.67 2noy s MET 13 CO -0.04 0.06 -0.18 0.08 1.05 0.00 0.00 175.02 175.99 2noy s VAL 14 N -0.95 1.53 -0.06 10.11 1.01 -0.74 -0.95 120.40 130.35 2noy s VAL 14 Ca -0.06 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2noy s VAL 14 Cb -0.07 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2noy s VAL 14 CO 0.00 0.44 -0.14 -0.75 0.00 0.00 0.00 175.10 174.65 2noy s LYS 15 N -0.01 1.73 -0.06 2.72 2.20 0.06 -0.42 119.74 125.96 2noy s LYS 15 Ca -0.03 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2noy s LYS 15 Cb -0.12 -1.45 0.02 0.00 -1.51 0.00 0.00 37.83 34.77 2noy s LYS 15 CO 0.02 0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 175.10 2noy s VAL 16 N 0.42 1.00 0.06 4.02 1.01 0.11 -0.71 120.40 126.31 2noy s VAL 16 Ca -0.11 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2noy s VAL 16 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2noy s VAL 16 CO 0.03 0.33 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 2noy s LEU 17 N 0.75 2.42 -0.38 3.92 1.43 -0.06 -0.94 118.68 125.81 2noy s LEU 17 Ca -0.13 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 2noy s LEU 17 Cb -0.15 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2noy s LEU 17 CO 0.03 0.24 0.30 -0.62 0.23 0.00 0.00 176.35 176.53 2noy s ASP 18 N -1.48 6.11 0.09 2.29 -1.08 0.12 -0.80 116.67 121.92 2noy s ASP 18 Ca 0.14 -0.62 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 2noy s ASP 18 Cb -0.10 -2.17 1.03 0.00 -1.46 0.00 0.00 42.92 40.22 2noy s ASP 18 CO 0.04 -0.38 1.83 0.00 0.52 0.00 0.00 175.17 177.19 2noy n ALA 19 N 5.22 2.24 0.07 3.66 0.00 0.23 -1.08 120.51 130.84 2noy n ALA 19 Ca -0.11 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 2noy n ALA 19 Cb 0.48 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 2noy n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2noy h VAL 20 N 0.00 1.15 0.00 0.00 2.07 -1.94 -3.38 116.25 114.15 2noy h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2noy h VAL 20 Cb 0.57 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2noy h VAL 20 CO 0.00 0.78 -1.15 0.54 0.02 0.00 0.00 177.57 177.76 2noy n ARG 21 N -3.82 0.25 -3.46 1.57 1.74 -1.21 -4.99 116.66 106.75 2noy n ARG 21 Ca -0.21 -0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.66 2noy n ARG 21 Cb 0.99 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.95 2noy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2noy n GLY 22 N 1.39 -0.51 3.26 -0.13 0.00 -0.24 -5.03 105.19 103.93 2noy n GLY 22 Ca 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2noy n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2noy s SER 23 N -4.17 0.14 0.74 1.61 1.04 -1.07 -5.01 113.70 106.99 2noy s SER 23 Ca 0.09 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 55.45 2noy s SER 23 Cb -0.02 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2noy s SER 23 CO 0.75 -0.81 1.19 -0.81 0.98 0.00 0.00 173.24 174.54 2noy n PRO 24 N -0.14 0.57 -3.43 4.02 -0.04 -1.26 0.11 135.00 134.82 2noy n PRO 24 Ca -0.09 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2noy n PRO 24 Cb 0.63 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.57 2noy n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2noy s ALA 25 N -1.81 3.49 0.09 0.55 0.00 -0.12 -4.48 121.76 119.48 2noy s ALA 25 Ca 0.77 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 2noy s ALA 25 Cb -0.33 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2noy s ALA 25 CO 0.47 -1.53 0.29 0.42 0.00 0.00 0.00 175.76 175.41 2noy s ILE 26 N 1.73 5.28 -1.60 0.00 1.01 -1.26 -4.36 121.20 122.00 2noy s ILE 26 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 2noy s ILE 26 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2noy s ILE 26 CO 0.10 0.13 0.43 0.59 0.00 0.00 0.00 174.94 176.19 2noy n ASN 27 N 0.33 -6.02 -4.70 3.58 5.03 -0.46 -4.94 115.26 108.08 2noy n ASN 27 Ca -0.05 -0.21 -0.40 0.00 0.87 0.00 0.00 54.58 54.79 2noy n ASN 27 Cb 0.52 -4.89 -0.05 0.00 -1.02 0.00 0.00 39.78 34.34 2noy n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2noy s VAL 28 N -3.13 5.02 0.19 2.41 1.01 -1.26 -4.76 120.40 119.88 2noy s VAL 28 Ca 0.21 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2noy s VAL 28 Cb -0.09 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2noy s VAL 28 CO 0.26 0.19 1.08 0.00 0.00 0.00 0.00 175.10 176.63 2noy s ALA 29 N 1.25 3.36 -0.06 5.51 0.00 -1.26 -1.19 121.76 129.37 2noy s ALA 29 Ca 0.35 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.12 2noy s ALA 29 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2noy s ALA 29 CO 0.15 -0.16 -0.08 0.08 0.00 0.00 0.00 175.76 175.75 2noy s VAL 30 N -0.38 0.84 -0.08 0.00 1.01 0.14 -0.91 120.40 121.02 2noy s VAL 30 Ca 0.48 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2noy s VAL 30 Cb -0.29 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2noy s VAL 30 CO 0.35 0.30 -0.24 -1.00 0.00 0.00 0.00 175.10 174.51 2noy s HIS 31 N 0.95 2.51 -0.08 5.22 3.76 -0.62 -0.81 115.29 126.22 2noy s HIS 31 Ca -0.10 -0.81 0.04 0.00 -0.15 0.00 0.00 55.06 54.05 2noy s HIS 31 Cb -0.15 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2noy s HIS 31 CO 0.00 -0.27 -0.21 0.08 -0.85 0.00 0.00 174.74 173.50 2noy s VAL 32 N 0.01 2.40 0.20 -0.90 1.01 0.27 -0.20 120.40 123.20 2noy s VAL 32 Ca -0.09 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.05 2noy s VAL 32 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2noy s VAL 32 CO 0.05 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.19 2noy s PHE 33 N -0.08 1.87 -0.07 5.22 0.40 -0.00 -0.09 117.98 125.22 2noy s PHE 33 Ca -0.05 -0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2noy s PHE 33 Cb -0.14 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.53 2noy s PHE 33 CO 0.04 0.41 -0.04 0.50 0.70 0.00 0.00 175.22 176.83 2noy s ARG 34 N -3.23 0.95 0.03 0.44 3.52 0.22 -1.16 118.95 119.71 2noy s ARG 34 Ca 0.21 -0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 2noy s ARG 34 Cb -0.04 -1.08 -0.09 0.00 -1.56 0.00 0.00 34.95 32.19 2noy s ARG 34 CO 0.08 -0.19 1.91 0.21 -0.81 0.00 0.00 175.30 176.51 2noy s LYS 35 N 1.44 4.15 0.75 5.12 2.20 -0.36 -1.87 119.74 131.16 2noy s LYS 35 Ca -0.02 2.56 -0.11 0.00 -0.36 0.00 0.00 55.97 58.04 2noy s LYS 35 Cb -0.13 -4.09 0.05 0.00 -1.51 0.00 0.00 37.83 32.15 2noy s LYS 35 CO -0.03 -0.93 1.12 0.00 -0.36 0.00 0.00 175.35 175.14 2noy s ALA 36 N 4.26 2.83 0.37 3.13 0.00 0.45 -4.69 121.76 128.12 2noy s ALA 36 Ca 0.86 -0.61 0.16 0.00 0.00 0.00 0.00 51.96 52.37 2noy s ALA 36 Cb -0.42 -2.90 1.04 0.00 0.00 0.00 0.00 23.12 20.84 2noy s ALA 36 CO 0.40 -1.42 1.75 0.00 0.00 0.00 0.00 175.76 176.49 2noy h ALA 37 N -0.83 2.10 -0.21 0.00 0.00 -1.94 0.18 119.26 118.56 2noy h ALA 37 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2noy h ALA 37 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2noy h ALA 37 CO 0.64 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 2noy n ASP 38 N -4.71 1.19 0.00 0.00 5.68 -1.26 -4.91 116.55 112.54 2noy n ASP 38 Ca 0.26 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2noy n ASP 38 Cb 0.85 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2noy n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2noy n ASP 39 N 0.12 -2.84 -4.90 -1.12 8.00 0.62 -5.03 116.55 111.39 2noy n ASP 39 Ca 0.07 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 2noy n ASP 39 Cb 0.20 -1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 40.13 2noy n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2noy s THR 40 N -2.10 4.93 -0.35 -3.53 -4.23 -1.26 -4.79 115.64 104.31 2noy s THR 40 Ca 0.00 0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.44 2noy s THR 40 Cb 0.00 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.07 2noy s THR 40 CO 0.00 -0.54 0.98 0.26 -0.54 0.00 0.00 174.62 174.78 2noy s TRP 41 N -2.36 3.10 -0.08 3.99 0.52 -1.26 -0.41 118.94 122.44 2noy s TRP 41 Ca 0.46 0.94 -0.12 0.00 0.02 0.00 0.00 56.10 57.40 2noy s TRP 41 Cb -0.10 -3.67 -0.05 0.00 -1.15 0.00 0.00 33.47 28.50 2noy s TRP 41 CO 0.35 -0.80 0.30 -1.21 0.02 0.00 0.00 176.95 175.60 2noy s GLU 42 N 3.55 3.85 0.20 4.98 2.02 -0.78 -4.88 118.70 127.64 2noy s GLU 42 Ca 0.41 0.17 -0.32 0.00 0.02 0.00 0.00 54.97 55.24 2noy s GLU 42 Cb -0.12 -3.26 -0.13 0.00 0.10 0.00 0.00 34.13 30.73 2noy s GLU 42 CO 0.18 0.61 1.66 -2.30 0.02 0.00 0.00 175.26 175.43 2noy n PRO 43 N 2.29 2.56 -0.04 0.39 -0.02 -1.26 -0.61 135.00 138.30 2noy n PRO 43 Ca -0.15 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2noy n PRO 43 Cb 0.53 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 2noy n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2noy n PHE 44 N 3.62 0.00 -3.56 6.00 7.35 0.86 -4.81 117.46 126.92 2noy n PHE 44 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.77 2noy n PHE 44 Cb 0.33 -0.26 -0.02 0.00 0.35 0.00 0.00 39.48 39.88 2noy n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2noy s ALA 45 N -2.13 -1.69 0.15 3.13 0.00 -0.80 -5.00 121.76 115.42 2noy s ALA 45 Ca -0.10 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 2noy s ALA 45 Cb 0.03 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2noy s ALA 45 CO 0.13 -0.81 0.48 -1.54 0.00 0.00 0.00 175.76 174.02 2noy s SER 46 N -2.68 -0.33 -0.03 0.00 1.04 -1.26 0.96 113.70 111.41 2noy s SER 46 Ca 0.06 -0.26 -0.23 0.00 0.48 0.00 0.00 55.95 56.00 2noy s SER 46 Cb -0.01 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.71 2noy s SER 46 CO -0.06 -0.92 1.03 0.61 0.98 0.00 0.00 173.24 174.87 2noy n GLY 47 N -0.29 0.27 3.26 7.32 0.00 0.01 -4.97 105.19 110.80 2noy n GLY 47 Ca -0.15 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 2noy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2noy s LYS 48 N -2.01 1.47 0.52 1.61 1.02 -1.26 0.24 119.74 121.33 2noy s LYS 48 Ca 0.24 -0.94 -0.21 0.00 0.02 0.00 0.00 55.97 55.09 2noy s LYS 48 Cb -0.01 -1.57 -0.06 0.00 -0.52 0.00 0.00 37.83 35.67 2noy s LYS 48 CO -0.01 0.41 1.18 0.95 -0.92 0.00 0.00 175.35 176.96 2noy s THR 49 N -0.76 2.92 0.32 2.17 -4.23 -0.33 -4.72 115.64 111.00 2noy s THR 49 Ca 0.08 0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 2noy s THR 49 Cb -0.09 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.53 2noy s THR 49 CO 0.01 -0.07 0.43 -1.54 -0.54 0.00 0.00 174.62 172.92 2noy n SER 50 N -0.99 0.17 0.24 3.99 3.41 0.48 -1.36 113.62 119.56 2noy n SER 50 Ca 0.10 -1.24 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 2noy n SER 50 Cb 0.49 -0.32 0.89 0.00 -0.26 0.00 0.00 64.21 65.01 2noy n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2noy h GLU 51 N 0.00 0.00 -0.15 4.33 5.08 -1.94 0.99 114.58 122.89 2noy h GLU 51 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2noy h GLU 51 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2noy h GLU 51 CO 0.11 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.99 2noy n SER 52 N -3.59 1.81 0.00 1.42 3.41 -1.26 -4.80 113.62 110.61 2noy n SER 52 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 2noy n SER 52 Cb 0.29 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2noy n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2noy n GLY 53 N 1.17 0.45 3.83 5.00 0.00 0.34 -4.77 105.19 111.22 2noy n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2noy n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2noy s GLU 54 N -0.37 3.12 -0.20 1.61 2.02 -1.26 -0.71 118.70 122.91 2noy s GLU 54 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2noy s GLU 54 Cb 0.00 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 31.42 2noy s GLU 54 CO 0.00 0.60 -0.01 -1.17 0.02 0.00 0.00 175.26 174.70 2noy s LEU 55 N -2.28 1.71 0.32 1.80 2.96 0.44 -0.39 118.68 123.24 2noy s LEU 55 Ca 0.30 -0.88 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2noy s LEU 55 Cb -0.12 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2noy s LEU 55 CO 0.22 -0.25 0.11 -1.00 -1.32 0.00 0.00 176.35 174.11 2noy s HIS 56 N 1.66 2.72 -0.37 5.38 3.76 -1.26 -1.79 115.29 125.39 2noy s HIS 56 Ca -0.02 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2noy s HIS 56 Cb -0.17 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.97 2noy s HIS 56 CO -0.07 0.40 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 2noy n GLY 57 N -1.10 0.65 0.23 -2.22 0.00 -1.26 -4.92 105.19 96.57 2noy n GLY 57 Ca -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.14 2noy n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2noy h LEU 58 N 0.00 0.25 0.00 0.99 3.38 -1.87 -3.47 115.31 114.59 2noy h LEU 58 Ca -0.07 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 2noy h LEU 58 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2noy h LEU 58 CO 0.11 0.47 0.10 1.07 0.09 0.00 0.00 178.44 180.28 2noy n THR 59 N -4.20 0.00 -4.41 0.22 5.66 -1.26 -4.79 114.28 105.50 2noy n THR 59 Ca -0.01 -1.30 -0.21 0.00 -3.05 0.00 0.00 64.05 59.48 2noy n THR 59 Cb 0.33 1.02 -0.10 0.00 -1.55 0.00 0.00 70.33 70.03 2noy n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2noy s THR 60 N -2.41 1.83 0.23 1.09 -4.23 -1.26 -4.56 115.64 106.33 2noy s THR 60 Ca 0.21 -2.20 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 2noy s THR 60 Cb -0.03 -2.29 0.19 0.00 1.34 0.00 0.00 72.50 71.71 2noy s THR 60 CO 0.15 -0.42 1.78 -0.08 -0.54 0.00 0.00 174.62 175.52 2noy h GLU 61 N 2.37 0.61 -0.53 3.99 4.81 -1.98 -0.59 114.58 123.26 2noy h GLU 61 Ca -0.39 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2noy h GLU 61 Cb 1.23 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2noy h GLU 61 CO 0.64 0.40 0.22 0.93 -0.73 0.00 0.00 179.01 180.48 2noy h GLU 62 N 0.63 0.79 0.02 1.92 3.07 -2.04 -3.13 114.58 115.84 2noy h GLU 62 Ca 0.37 -0.14 -0.20 0.00 -0.50 0.00 0.00 59.36 58.89 2noy h GLU 62 Cb 0.39 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2noy h GLU 62 CO -0.28 0.69 -0.93 1.49 -1.40 0.00 0.00 179.01 178.58 2noy h GLU 63 N 0.72 0.11 -3.89 2.33 4.81 -1.87 -3.39 114.58 113.40 2noy h GLU 63 Ca 0.18 -0.14 -0.72 0.00 -0.13 0.00 0.00 59.36 58.55 2noy h GLU 63 Cb 0.19 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2noy h GLU 63 CO -0.02 0.96 2.95 0.34 -0.73 0.00 0.00 179.01 182.51 2noy n PHE 64 N -3.55 3.41 -2.03 0.92 7.35 -0.26 -4.94 117.46 118.35 2noy n PHE 64 Ca -0.03 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.43 2noy n PHE 64 Cb 0.85 -2.45 0.15 0.00 0.35 0.00 0.00 39.48 38.39 2noy n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2noy s VAL 65 N 2.66 2.04 0.42 -2.13 -7.23 -1.26 -4.96 120.40 109.94 2noy s VAL 65 Ca 0.46 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 60.29 2noy s VAL 65 Cb 0.13 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 2noy s VAL 65 CO -0.07 0.00 1.08 -0.62 -0.31 0.00 0.00 175.10 175.17 2noy n GLU 66 N -3.53 1.49 0.00 4.82 1.02 -1.26 -4.84 120.64 118.34 2noy n GLU 66 Ca 0.14 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2noy n GLU 66 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2noy n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2noy n GLY 67 N 1.09 -0.10 3.68 0.62 0.00 -1.09 -5.00 105.19 104.40 2noy n GLY 67 Ca 0.09 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 2noy n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2noy s ILE 68 N -2.00 5.29 0.09 -0.61 1.01 -1.26 -0.54 121.20 123.18 2noy s ILE 68 Ca 0.00 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.17 2noy s ILE 68 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2noy s ILE 68 CO 0.00 0.33 -0.15 -0.31 0.00 0.00 0.00 174.94 174.80 2noy s TYR 69 N 0.99 2.62 -0.12 3.97 1.51 0.53 -1.23 117.35 125.62 2noy s TYR 69 Ca 0.13 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2noy s TYR 69 Cb -0.14 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2noy s TYR 69 CO 0.05 0.36 -0.19 0.21 -1.11 0.00 0.00 175.55 174.87 2noy s LYS 70 N -1.94 2.64 -0.30 -0.62 2.20 -0.31 -1.00 119.74 120.41 2noy s LYS 70 Ca 0.18 -0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 2noy s LYS 70 Cb -0.11 -2.16 0.02 0.00 -1.51 0.00 0.00 37.83 34.08 2noy s LYS 70 CO 0.10 -0.01 0.06 0.08 -0.36 0.00 0.00 175.35 175.22 2noy s VAL 71 N 0.83 3.69 -0.33 4.02 1.01 0.11 -0.82 120.40 128.91 2noy s VAL 71 Ca -0.08 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 2noy s VAL 71 Cb -0.16 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2noy s VAL 71 CO -0.00 -0.01 0.16 -1.61 0.00 0.00 0.00 175.10 173.63 2noy s GLU 72 N 1.43 3.16 -0.27 2.72 2.02 0.72 -0.18 118.70 128.29 2noy s GLU 72 Ca 0.00 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 2noy s GLU 72 Cb -0.18 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2noy s GLU 72 CO 0.01 -0.50 0.23 0.42 0.02 0.00 0.00 175.26 175.44 2noy s ILE 73 N 1.58 5.29 -1.41 -1.63 1.01 0.71 -1.59 121.20 125.15 2noy s ILE 73 Ca 0.04 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 2noy s ILE 73 Cb -0.18 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2noy s ILE 73 CO 0.06 0.24 2.12 0.47 0.00 0.00 0.00 174.94 177.83 2noy n ASP 74 N 5.04 4.05 0.17 3.58 10.43 -0.09 -1.70 116.55 138.03 2noy n ASP 74 Ca -0.13 -2.85 0.01 0.00 2.57 0.00 0.00 54.79 54.39 2noy n ASP 74 Cb 0.52 -1.66 0.30 0.00 1.84 0.00 0.00 41.12 42.11 2noy n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2noy h THR 75 N 4.34 1.32 -0.02 -3.53 1.35 -1.86 -3.17 112.91 111.34 2noy h THR 75 Ca 0.54 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2noy h THR 75 Cb 0.69 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2noy h THR 75 CO 1.80 0.44 0.01 0.50 -0.25 0.00 0.00 175.52 178.01 2noy h LYS 76 N 0.00 0.03 -0.67 4.72 3.64 -1.75 -1.59 116.57 120.95 2noy h LYS 76 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2noy h LYS 76 Cb 0.79 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 2noy h LYS 76 CO 0.06 0.18 0.43 0.77 -2.27 0.00 0.00 179.45 178.62 2noy h SER 77 N -0.14 0.74 -0.26 4.20 0.02 -1.86 0.46 113.55 116.71 2noy h SER 77 Ca 0.01 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2noy h SER 77 Cb 0.17 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 2noy h SER 77 CO -0.00 0.53 -0.55 0.22 -1.14 0.00 0.00 176.83 175.89 2noy h TYR 78 N 0.88 -1.67 -0.64 3.45 3.20 -1.47 -1.12 116.97 119.59 2noy h TYR 78 Ca 0.25 0.07 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 2noy h TYR 78 Cb -0.07 0.76 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2noy h TYR 78 CO -0.03 -0.52 0.08 -1.49 -1.64 0.00 0.00 178.16 174.56 2noy h TRP 79 N -0.50 1.16 -0.58 -3.82 4.06 -0.99 -2.99 115.95 112.29 2noy h TRP 79 Ca 0.05 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 2noy h TRP 79 Cb 0.64 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.46 2noy h TRP 79 CO -0.65 0.99 0.36 0.87 -3.56 0.00 0.00 178.44 176.44 2noy h LYS 80 N 1.00 0.79 0.00 0.49 1.57 -0.76 -1.25 116.57 118.41 2noy h LYS 80 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2noy h LYS 80 Cb 0.47 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2noy h LYS 80 CO 0.02 0.56 -0.05 0.00 -0.57 0.00 0.00 179.45 179.41 2noy h ALA 81 N 1.18 1.07 -0.19 3.86 0.00 -1.18 -1.68 119.26 122.33 2noy h ALA 81 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2noy h ALA 81 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2noy h ALA 81 CO -0.04 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2noy n LEU 82 N -3.25 2.34 0.00 0.00 4.77 -0.76 -4.96 117.00 115.15 2noy n LEU 82 Ca -0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2noy n LEU 82 Cb 0.24 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2noy n LEU 82 CO 0.26 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2noy n GLY 83 N 1.28 0.28 3.89 -0.72 0.00 -0.63 -5.06 105.19 104.23 2noy n GLY 83 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2noy n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2noy s SER 84 N -2.27 6.43 -0.47 1.61 0.01 -0.54 -4.98 113.70 113.48 2noy s SER 84 Ca 0.00 0.94 -0.03 0.00 1.31 0.00 0.00 55.95 58.16 2noy s SER 84 Cb 0.00 -2.24 0.13 0.00 0.21 0.00 0.00 66.02 64.11 2noy s SER 84 CO 0.00 -0.38 0.28 -0.44 0.41 0.00 0.00 173.24 173.11 2noy s SER 85 N -3.42 5.28 0.70 2.44 0.01 -1.26 -3.46 113.70 113.99 2noy s SER 85 Ca 0.48 -2.26 -0.11 0.00 1.31 0.00 0.00 55.95 55.37 2noy s SER 85 Cb -0.10 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.29 2noy s SER 85 CO 0.34 -0.50 1.06 -2.16 0.41 0.00 0.00 173.24 172.39 2noy s PRO 86 N 0.81 2.86 -0.14 12.44 0.04 -1.26 -4.95 135.00 144.80 2noy s PRO 86 Ca 0.11 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 2noy s PRO 86 Cb -0.22 -1.98 -0.26 0.00 0.04 0.00 0.00 34.50 32.08 2noy s PRO 86 CO -0.04 -1.15 0.77 0.35 0.04 0.00 0.00 177.00 176.97 2noy h PHE 87 N -0.76 -0.00 -3.94 0.56 3.57 -1.45 -3.48 116.94 111.44 2noy h PHE 87 Ca -0.44 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.60 2noy h PHE 87 Cb 1.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2noy h PHE 87 CO 0.61 0.97 0.25 -1.01 -2.23 0.00 0.00 178.31 176.91 2noy s HIS 88 N -2.27 3.33 0.22 0.41 3.76 -1.26 -4.97 115.29 114.51 2noy s HIS 88 Ca -0.19 1.47 0.05 0.00 -0.15 0.00 0.00 55.06 56.24 2noy s HIS 88 Cb -0.03 -2.74 0.19 0.00 1.11 0.00 0.00 32.58 31.11 2noy s HIS 88 CO 0.68 -0.04 1.51 0.93 -0.85 0.00 0.00 174.74 176.97 2noy h GLU 89 N 2.02 0.19 -1.98 1.40 4.39 -1.98 -3.38 114.58 115.24 2noy h GLU 89 Ca -0.49 -0.15 0.31 0.00 0.34 0.00 0.00 59.36 59.37 2noy h GLU 89 Cb 1.18 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 2noy h GLU 89 CO 0.63 0.80 0.82 -3.38 -1.16 0.00 0.00 179.01 176.72 2noy s HIS 90 N -3.58 0.01 -0.17 4.33 -3.43 -1.26 -3.72 115.29 107.47 2noy s HIS 90 Ca -0.03 -0.17 0.01 0.00 -0.80 0.00 0.00 55.06 54.07 2noy s HIS 90 Cb 0.12 0.58 0.02 0.00 -1.43 0.00 0.00 32.58 31.86 2noy s HIS 90 CO 0.80 -0.38 -0.20 0.00 -2.00 0.00 0.00 174.74 172.96 2noy s ALA 91 N -2.20 2.34 -0.11 -1.38 0.00 -0.69 -4.89 121.76 114.83 2noy s ALA 91 Ca 0.23 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2noy s ALA 91 Cb 0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 2noy s ALA 91 CO -0.01 -0.26 -0.00 -1.21 0.00 0.00 0.00 175.76 174.29 2noy s GLU 92 N 1.15 3.26 -0.14 0.00 2.02 -1.26 -0.21 118.70 123.53 2noy s GLU 92 Ca 0.01 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2noy s GLU 92 Cb -0.14 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.25 2noy s GLU 92 CO -0.09 0.55 -0.11 0.08 0.02 0.00 0.00 175.26 175.70 2noy s VAL 93 N -0.45 1.35 -0.10 2.63 1.01 0.74 -4.96 120.40 120.63 2noy s VAL 93 Ca 0.08 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2noy s VAL 93 Cb -0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2noy s VAL 93 CO 0.02 0.41 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 2noy s VAL 94 N 1.57 2.02 -0.05 2.92 1.01 -1.26 0.05 120.40 126.66 2noy s VAL 94 Ca 0.05 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 2noy s VAL 94 Cb -0.13 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.57 2noy s VAL 94 CO -0.10 0.55 0.59 0.72 0.00 0.00 0.00 175.10 176.87 2noy s PHE 95 N 0.33 -0.55 0.15 5.22 -0.71 -0.17 -4.98 117.98 117.27 2noy s PHE 95 Ca -0.18 0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 2noy s PHE 95 Cb -0.18 0.33 -0.07 0.00 -1.21 0.00 0.00 43.02 41.90 2noy s PHE 95 CO 0.08 -0.55 0.95 0.99 -1.34 0.00 0.00 175.22 175.35 2noy s THR 96 N -1.17 4.35 0.05 -4.49 2.01 -1.26 -0.34 115.64 114.78 2noy s THR 96 Ca -0.11 2.07 0.09 0.00 0.31 0.00 0.00 61.69 64.05 2noy s THR 96 Cb -0.01 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2noy s THR 96 CO 0.08 0.38 -0.26 0.00 -0.69 0.00 0.00 174.62 174.14 2noy s ALA 97 N -0.42 2.23 -1.97 7.40 0.00 0.30 -4.81 121.76 124.49 2noy s ALA 97 Ca 0.45 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2noy s ALA 97 Cb -0.24 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2noy s ALA 97 CO 0.30 0.53 0.00 0.09 0.00 0.00 0.00 175.76 176.68 2noy n ASN 98 N 1.76 -5.43 -0.02 0.00 3.02 -1.26 -2.67 115.26 110.67 2noy n ASN 98 Ca -0.17 0.35 0.14 0.00 -0.03 0.00 0.00 54.58 54.87 2noy n ASN 98 Cb 0.52 -4.60 0.61 0.00 -0.61 0.00 0.00 39.78 35.70 2noy n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2noy n ASP 99 N -1.31 0.13 -1.18 6.41 5.75 -1.26 -1.51 116.55 123.57 2noy n ASP 99 Ca -0.21 0.09 0.09 0.00 -0.01 0.00 0.00 54.79 54.75 2noy n ASP 99 Cb 0.65 -0.29 0.28 0.00 -1.03 0.00 0.00 41.12 40.73 2noy n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2noy n SER 100 N -1.37 3.99 0.00 -1.12 7.64 -1.26 -5.07 113.62 116.43 2noy n SER 100 Ca 0.10 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.66 2noy n SER 100 Cb 0.31 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2noy n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2noy n GLY 101 N 0.82 1.55 3.73 0.23 0.00 -0.57 -5.03 105.19 105.92 2noy n GLY 101 Ca 0.21 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2noy n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2noy s PRO 102 N -1.51 4.24 0.35 1.61 0.02 -1.26 -4.30 135.00 134.15 2noy s PRO 102 Ca 0.00 2.32 0.04 0.00 0.02 0.00 0.00 61.00 63.38 2noy s PRO 102 Cb 0.00 -3.14 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 2noy s PRO 102 CO 0.00 -0.52 0.05 1.03 -0.33 0.00 0.00 177.00 177.23 2noy s ARG 103 N 0.52 1.74 -0.14 5.54 1.81 -1.26 -4.50 118.95 122.65 2noy s ARG 103 Ca 0.65 -1.98 -0.04 0.00 -1.72 0.00 0.00 55.73 52.65 2noy s ARG 103 Cb -0.43 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.03 2noy s ARG 103 CO 0.36 -0.18 -0.00 1.03 -0.68 0.00 0.00 175.30 175.82 2noy s ARG 104 N -3.85 3.51 -0.13 3.54 0.52 0.08 -4.82 118.95 117.79 2noy s ARG 104 Ca 0.35 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2noy s ARG 104 Cb 0.08 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2noy s ARG 104 CO 0.16 0.40 -0.21 0.71 0.02 0.00 0.00 175.30 176.38 2noy s TYR 105 N -0.05 2.67 -0.22 -0.53 1.51 0.34 -1.15 117.35 119.90 2noy s TYR 105 Ca 0.03 -1.17 -0.04 0.00 -1.01 0.00 0.00 57.07 54.89 2noy s TYR 105 Cb -0.13 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2noy s TYR 105 CO 0.02 -0.51 -0.04 0.99 -1.11 0.00 0.00 175.55 174.90 2noy s THR 106 N 0.65 3.36 -0.39 -0.71 2.01 0.52 -1.33 115.64 119.75 2noy s THR 106 Ca -0.10 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2noy s THR 106 Cb -0.16 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.81 2noy s THR 106 CO 0.02 0.40 0.34 -0.63 -0.69 0.00 0.00 174.62 174.07 2noy s ILE 107 N 1.47 5.20 -0.13 1.82 -1.09 -0.13 -0.61 121.20 127.72 2noy s ILE 107 Ca 0.05 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2noy s ILE 107 Cb -0.14 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2noy s ILE 107 CO -0.03 -0.24 0.04 0.00 -1.23 0.00 0.00 174.94 173.48 2noy s ALA 108 N 1.89 3.40 -0.05 9.38 0.00 -0.18 -0.76 121.76 135.44 2noy s ALA 108 Ca 0.09 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2noy s ALA 108 Cb -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2noy s ALA 108 CO 0.11 0.41 -0.15 0.00 0.00 0.00 0.00 175.76 176.14 2noy s ALA 109 N -0.35 1.38 -0.17 0.00 0.00 0.11 -1.47 121.76 121.26 2noy s ALA 109 Ca 0.08 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 2noy s ALA 109 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2noy s ALA 109 CO 0.02 0.22 -0.15 -1.17 0.00 0.00 0.00 175.76 174.68 2noy s LEU 110 N 0.21 2.42 -0.15 0.00 2.96 -0.16 -0.88 118.68 123.08 2noy s LEU 110 Ca -0.06 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2noy s LEU 110 Cb -0.12 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2noy s LEU 110 CO 0.02 0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.27 2noy s LEU 111 N 1.07 3.07 0.20 -0.68 1.43 0.02 -1.44 118.68 122.35 2noy s LEU 111 Ca -0.00 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2noy s LEU 111 Cb -0.14 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2noy s LEU 111 CO -0.05 0.16 -0.10 -0.44 0.23 0.00 0.00 176.35 176.16 2noy s SER 112 N 0.38 2.25 0.36 2.29 0.01 0.71 -0.60 113.70 119.09 2noy s SER 112 Ca -0.06 -1.07 0.08 0.00 1.31 0.00 0.00 55.95 56.21 2noy s SER 112 Cb -0.15 -0.08 0.80 0.00 0.21 0.00 0.00 66.02 66.80 2noy s SER 112 CO 0.04 -0.29 1.90 -0.65 0.41 0.00 0.00 173.24 174.65 2noy h PRO 113 N 2.57 0.68 -0.22 12.44 0.11 -1.99 -2.73 132.00 142.86 2noy h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2noy h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2noy h PRO 113 CO 0.64 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 2noy n TYR 114 N -4.52 0.48 -3.61 0.65 4.02 -1.26 -1.05 117.16 111.87 2noy n TYR 114 Ca 0.15 -0.67 -0.16 0.00 -0.01 0.00 0.00 57.90 57.21 2noy n TYR 114 Cb 0.39 -0.13 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 2noy n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2noy s SER 115 N -1.49 -0.48 0.16 7.72 0.15 -1.03 -4.96 113.70 113.77 2noy s SER 115 Ca 0.26 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 57.21 2noy s SER 115 Cb 0.19 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2noy s SER 115 CO 0.10 -0.57 0.40 -0.72 1.20 0.00 0.00 173.24 173.64 2noy s TYR 116 N -1.39 0.04 0.05 3.44 -0.85 -1.26 -0.21 117.35 117.18 2noy s TYR 116 Ca -0.11 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 2noy s TYR 116 Cb -0.02 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 2noy s TYR 116 CO 0.07 -0.78 -0.15 0.45 -1.52 0.00 0.00 175.55 173.62 2noy s SER 117 N -2.89 1.72 -0.01 -0.18 0.15 -0.52 -4.97 113.70 107.01 2noy s SER 117 Ca 0.10 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.24 2noy s SER 117 Cb 0.01 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 2noy s SER 117 CO -0.05 0.00 -0.03 0.28 1.20 0.00 0.00 173.24 174.65 2noy s THR 118 N -1.00 0.27 0.02 6.45 -1.32 -1.26 -0.99 115.64 117.82 2noy s THR 118 Ca 0.01 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 2noy s THR 118 Cb -0.09 -0.27 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 2noy s THR 118 CO 0.02 0.10 -0.05 0.28 -2.21 0.00 0.00 174.62 172.76 2noy s THR 119 N 0.21 0.34 -0.15 5.08 -1.32 -0.55 -5.00 115.64 114.26 2noy s THR 119 Ca -0.02 -0.68 -0.05 0.00 -1.21 0.00 0.00 61.69 59.73 2noy s THR 119 Cb -0.05 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2noy s THR 119 CO -0.00 -0.23 -0.00 0.00 -2.21 0.00 0.00 174.62 172.17 2noy s ALA 120 N -0.89 3.16 -0.23 11.08 0.00 -1.26 -1.01 121.76 132.60 2noy s ALA 120 Ca -0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 2noy s ALA 120 Cb -0.07 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2noy s ALA 120 CO -0.00 0.26 0.02 0.08 0.00 0.00 0.00 175.76 176.12 2noy s VAL 121 N 0.19 3.90 -0.17 0.00 1.01 0.22 -4.97 120.40 120.57 2noy s VAL 121 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2noy s VAL 121 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.46 2noy s VAL 121 CO 0.02 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 2noy s VAL 122 N 1.50 2.06 0.20 2.92 1.01 -1.26 -0.35 120.40 126.48 2noy s VAL 122 Ca 0.06 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.15 2noy s VAL 122 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2noy s VAL 122 CO 0.01 0.54 -0.09 0.42 0.00 0.00 0.00 175.10 175.98 2noy s THR 123 N 1.21 1.39 -0.33 3.92 -4.23 -0.30 -4.96 115.64 112.33 2noy s THR 123 Ca 0.03 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.33 2noy s THR 123 Cb -0.13 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.62 2noy s THR 123 CO -0.11 -0.55 0.16 0.21 -0.54 0.00 0.00 174.62 173.78 2noy s ASN 124 N -3.28 5.54 0.00 3.99 3.84 -1.26 -0.75 114.94 123.03 2noy s ASN 124 Ca 0.23 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.56 2noy s ASN 124 Cb 0.02 -1.99 0.00 0.00 -0.55 0.00 0.00 41.25 38.74 2noy s ASN 124 CO 0.06 -0.26 0.26 -0.81 -2.79 0.00 0.00 177.10 173.55