#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shx n ALA 33 N 0.00 1.97 0.00 3.52 0.00 -1.26 -4.75 120.51 119.98 1shx n ALA 33 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1shx n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1shx n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1shx n ASP 34 N -0.31 0.00 -4.06 0.00 8.00 -1.26 -5.00 116.55 113.92 1shx n ASP 34 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1shx n ASP 34 Cb 0.21 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.14 1shx n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1shx s ARG 35 N -1.00 2.11 -0.21 -1.24 0.52 -1.26 0.16 118.95 118.02 1shx s ARG 35 Ca 0.00 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1shx s ARG 35 Cb 0.00 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.71 1shx s ARG 35 CO 0.00 -0.00 -0.04 0.71 0.02 0.00 0.00 175.30 175.99 1shx s TYR 36 N 0.80 2.96 -0.13 -0.53 1.51 0.10 -3.98 117.35 118.09 1shx s TYR 36 Ca -0.11 -0.84 -0.22 0.00 -1.01 0.00 0.00 57.07 54.89 1shx s TYR 36 Cb -0.16 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1shx s TYR 36 CO 0.02 -0.48 0.66 0.00 -1.11 0.00 0.00 175.55 174.63 1shx s ALA 37 N 1.36 3.45 -0.17 3.71 0.00 -1.26 0.33 121.76 129.18 1shx s ALA 37 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1shx s ALA 37 Cb -0.14 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1shx s ALA 37 CO -0.02 -0.31 -0.08 0.08 0.00 0.00 0.00 175.76 175.44 1shx s VAL 38 N 1.31 1.32 -0.58 0.00 1.01 0.35 -4.95 120.40 118.86 1shx s VAL 38 Ca 0.33 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1shx s VAL 38 Cb -0.17 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 34.88 1shx s VAL 38 CO 0.14 0.19 0.70 -0.31 0.00 0.00 0.00 175.10 175.82 1shx s TYR 39 N 1.55 2.99 -1.18 5.22 1.51 -1.26 0.17 117.35 126.35 1shx s TYR 39 Ca 0.01 -0.89 -0.18 0.00 -1.01 0.00 0.00 57.07 55.00 1shx s TYR 39 Cb -0.15 -3.95 0.10 0.00 -0.11 0.00 0.00 41.96 37.85 1shx s TYR 39 CO -0.08 -1.27 1.53 -0.46 -1.11 0.00 0.00 175.55 174.16 1shx s TRP 40 N 2.72 2.99 0.05 2.71 -0.11 -0.39 -4.79 118.94 122.13 1shx s TRP 40 Ca 0.12 -1.62 -0.21 0.00 1.22 0.00 0.00 56.10 55.61 1shx s TRP 40 Cb -0.23 -4.56 0.05 0.00 -1.50 0.00 0.00 33.47 27.23 1shx s TRP 40 CO 0.07 -1.67 0.50 0.54 -4.62 0.00 0.00 176.95 171.77 1shx s ASN 41 N 3.87 -0.40 0.00 5.86 2.20 -1.26 -3.86 114.94 121.35 1shx s ASN 41 Ca 0.47 0.11 0.15 0.00 -0.94 0.00 0.00 52.86 52.65 1shx s ASN 41 Cb 0.00 0.48 0.74 0.00 -2.00 0.00 0.00 41.25 40.48 1shx s ASN 41 CO 0.00 -0.72 1.40 -1.54 -2.94 0.00 0.00 177.10 173.30 1shx n SER 42 N 0.38 0.00 -0.21 3.54 3.41 -1.26 -2.31 113.62 117.17 1shx n SER 42 Ca -0.18 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1shx n SER 42 Cb 0.60 -0.28 0.37 0.00 -0.26 0.00 0.00 64.21 64.65 1shx n SER 42 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1shx n SER 43 N -1.28 0.93 -4.63 4.04 7.64 -1.26 -4.64 113.62 114.42 1shx n SER 43 Ca 0.07 -0.79 -0.43 0.00 1.01 0.00 0.00 58.87 58.73 1shx n SER 43 Cb 0.11 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1shx n SER 43 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1shx s ASN 44 N -2.56 6.86 0.47 6.43 3.84 -0.98 -4.93 114.94 124.08 1shx s ASN 44 Ca 0.23 1.00 0.19 0.00 0.21 0.00 0.00 52.86 54.49 1shx s ASN 44 Cb 0.19 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.53 1shx s ASN 44 CO 0.54 -0.95 1.98 1.55 -2.79 0.00 0.00 177.10 177.42 1shx h PRO 45 N 8.38 0.23 -0.17 0.43 0.13 -1.89 -1.11 132.00 138.00 1shx h PRO 45 Ca -0.22 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 1shx h PRO 45 Cb 1.07 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1shx h PRO 45 CO 1.04 0.15 -0.11 0.00 -0.23 0.00 0.00 178.00 178.86 1shx h ARG 46 N 0.24 0.26 0.15 0.86 2.47 -1.96 -1.24 114.38 115.16 1shx h ARG 46 Ca 0.28 -0.06 -0.33 0.00 -1.26 0.00 0.00 59.98 58.61 1shx h ARG 46 Cb 0.79 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1shx h ARG 46 CO -0.06 0.38 -1.70 0.74 0.56 0.00 0.00 179.97 179.90 1shx h PHE 47 N 0.25 0.57 -0.63 3.04 0.04 -1.58 -3.28 116.94 115.36 1shx h PHE 47 Ca 0.05 -0.42 0.09 0.00 2.80 0.00 0.00 57.97 60.50 1shx h PHE 47 Cb 0.35 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.41 1shx h PHE 47 CO 0.01 1.55 0.25 0.37 -0.60 0.00 0.00 178.31 179.89 1shx h GLN 48 N 0.09 0.43 0.00 1.51 5.75 -1.02 0.10 115.11 121.96 1shx h GLN 48 Ca -0.31 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1shx h GLN 48 Cb 2.06 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.52 1shx h GLN 48 CO 0.16 0.28 0.00 0.00 -2.65 0.00 0.00 178.83 176.62 1shx h ARG 49 N 0.44 0.00 -0.36 1.69 3.08 -1.33 -3.46 114.38 114.44 1shx h ARG 49 Ca 0.32 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 1shx h ARG 49 Cb 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1shx h ARG 49 CO -0.30 0.00 -0.14 0.41 -1.07 0.00 0.00 179.97 178.87 1shx n GLY 50 N -0.81 0.93 1.18 0.04 0.00 0.36 -4.87 105.19 102.02 1shx n GLY 50 Ca -0.02 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.60 1shx n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1shx n ASP 51 N 0.18 0.80 -4.68 1.61 5.75 -1.26 -4.94 116.55 114.01 1shx n ASP 51 Ca -0.08 -2.10 -0.45 0.00 -0.01 0.00 0.00 54.79 52.15 1shx n ASP 51 Cb 0.31 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 40.07 1shx n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1shx n TYR 52 N 0.27 2.41 -3.82 2.11 4.19 -1.24 -4.93 117.16 116.16 1shx n TYR 52 Ca 0.05 0.03 -0.12 0.00 3.31 0.00 0.00 57.90 61.17 1shx n TYR 52 Cb 1.01 -2.65 -0.09 0.00 0.49 0.00 0.00 39.34 38.09 1shx n TYR 52 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 1shx s HIS 53 N 2.57 -0.07 0.00 2.98 -3.43 -1.26 -2.08 115.29 114.00 1shx s HIS 53 Ca 0.84 0.08 -0.06 0.00 -0.80 0.00 0.00 55.06 55.13 1shx s HIS 53 Cb -0.61 0.02 -0.00 0.00 -1.43 0.00 0.00 32.58 30.56 1shx s HIS 53 CO 0.42 -0.32 0.10 0.96 -2.00 0.00 0.00 174.74 173.90 1shx s ILE 54 N -1.28 0.08 -0.08 -5.38 -4.36 -0.54 -4.97 121.20 104.66 1shx s ILE 54 Ca -0.13 -0.69 -0.01 0.00 -0.26 0.00 0.00 60.65 59.55 1shx s ILE 54 Cb -0.06 -0.38 -0.03 0.00 1.25 0.00 0.00 42.46 43.23 1shx s ILE 54 CO 0.03 -0.38 -0.02 -1.81 0.24 0.00 0.00 174.94 173.00 1shx s ASP 55 N -1.31 5.05 0.20 4.36 1.01 -1.26 -0.64 116.67 124.08 1shx s ASP 55 Ca -0.14 0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.18 1shx s ASP 55 Cb -0.08 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.43 1shx s ASP 55 CO 0.01 0.37 0.17 0.68 0.21 0.00 0.00 175.17 176.61 1shx s VAL 56 N -0.82 0.01 0.12 -1.27 -7.23 0.47 -4.94 120.40 106.74 1shx s VAL 56 Ca 0.13 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 1shx s VAL 56 Cb -0.11 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1shx s VAL 56 CO 0.02 -0.05 -0.11 0.00 -0.31 0.00 0.00 175.10 174.66 1shx n ILE 58 N 0.62 2.02 -0.03 0.00 2.08 -1.26 -0.57 119.36 122.22 1shx n ILE 58 Ca -0.13 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.68 1shx n ILE 58 Cb 0.53 -0.80 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 1shx n ILE 58 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1shx n ASN 59 N 1.18 0.00 -4.66 4.38 3.02 0.56 -4.97 115.26 114.77 1shx n ASN 59 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.37 1shx n ASN 59 Cb 0.34 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.70 1shx n ASN 59 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1shx s ASP 60 N -3.89 2.42 0.05 6.41 1.11 0.26 -4.67 116.67 118.36 1shx s ASP 60 Ca 0.00 1.17 0.07 0.00 0.18 0.00 0.00 52.55 53.97 1shx s ASP 60 Cb 0.00 -1.84 -0.03 0.00 1.07 0.00 0.00 42.92 42.12 1shx s ASP 60 CO 0.00 -3.25 -0.20 -0.31 1.18 0.00 0.00 175.17 172.58 1shx s TYR 61 N -2.94 1.76 -0.21 4.23 1.51 0.41 -1.75 117.35 120.35 1shx s TYR 61 Ca 0.66 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1shx s TYR 61 Cb -0.19 -1.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1shx s TYR 61 CO 0.58 0.10 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.88 1shx s LEU 62 N -1.29 2.75 -0.32 -1.29 2.96 0.42 0.02 118.68 121.93 1shx s LEU 62 Ca 0.07 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1shx s LEU 62 Cb -0.09 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1shx s LEU 62 CO 0.02 -0.01 0.13 -1.81 -1.32 0.00 0.00 176.35 173.36 1shx s ASP 63 N 1.41 5.42 -0.20 3.68 1.01 0.15 -0.31 116.67 127.82 1shx s ASP 63 Ca 0.05 -0.69 -0.14 0.00 0.71 0.00 0.00 52.55 52.48 1shx s ASP 63 Cb -0.14 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 1shx s ASP 63 CO -0.05 -0.23 0.30 -0.69 0.21 0.00 0.00 175.17 174.71 1shx s VAL 64 N 1.55 5.27 -0.28 -1.27 1.01 0.44 -0.50 120.40 126.63 1shx s VAL 64 Ca 0.03 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 1shx s VAL 64 Cb -0.18 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1shx s VAL 64 CO 0.05 0.31 0.10 -0.36 0.00 0.00 0.00 175.10 175.20 1shx s PHE 65 N 1.04 3.13 0.79 5.22 0.40 0.13 -1.49 117.98 127.19 1shx s PHE 65 Ca 0.15 -0.55 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 1shx s PHE 65 Cb -0.14 -2.29 0.07 0.00 0.51 0.00 0.00 43.02 41.17 1shx s PHE 65 CO 0.06 -0.42 1.10 0.00 0.70 0.00 0.00 175.22 176.65 1shx n PRO 67 N -3.59 2.68 -4.26 0.00 -0.02 -1.25 -4.51 135.00 124.04 1shx n PRO 67 Ca 0.09 0.96 -0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1shx n PRO 67 Cb 0.53 -2.76 -0.15 0.00 -0.02 0.00 0.00 33.50 31.10 1shx n PRO 67 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1shx s HIS 68 N 0.48 0.70 0.29 6.00 2.46 -1.26 -4.37 115.29 119.59 1shx s HIS 68 Ca 0.69 -0.15 0.02 0.00 0.47 0.00 0.00 55.06 56.09 1shx s HIS 68 Cb -0.51 -0.50 -0.05 0.00 -0.13 0.00 0.00 32.58 31.38 1shx s HIS 68 CO 0.42 -0.06 0.09 0.71 -2.47 0.00 0.00 174.74 173.43 1shx s TYR 69 N 0.10 1.70 0.44 3.88 1.51 -0.42 -5.03 117.35 119.53 1shx s TYR 69 Ca -0.01 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 54.85 1shx s TYR 69 Cb -0.06 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 1shx s TYR 69 CO -0.00 -0.22 0.78 -1.21 -1.11 0.00 0.00 175.55 173.79 1shx s GLU 70 N -3.96 3.67 0.55 -0.62 2.02 -1.26 -4.74 118.70 114.36 1shx s GLU 70 Ca 0.37 0.37 0.25 0.00 0.02 0.00 0.00 54.97 55.97 1shx s GLU 70 Cb 0.08 -2.37 1.48 0.00 0.10 0.00 0.00 34.13 33.42 1shx s GLU 70 CO 0.15 -0.13 2.07 -0.44 0.02 0.00 0.00 175.26 176.93 1shx h ASP 71 N 0.78 0.00 0.00 -0.19 3.32 -1.98 -2.37 116.42 115.97 1shx h ASP 71 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1shx h ASP 71 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1shx h ASP 71 CO 0.63 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.61 1shx n SER 72 N -4.16 0.58 -4.29 6.45 3.41 -1.26 -4.76 113.62 109.59 1shx n SER 72 Ca 0.04 -0.79 -0.35 0.00 -0.26 0.00 0.00 58.87 57.51 1shx n SER 72 Cb 0.38 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 1shx n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1shx s VAL 73 N -0.62 3.21 -0.10 -3.33 1.01 -0.90 -5.03 120.40 114.65 1shx s VAL 73 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1shx s VAL 73 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1shx s VAL 73 CO 0.00 0.44 0.00 -2.65 0.00 0.00 0.00 175.10 172.89 1shx n PRO 74 N 4.75 0.00 0.00 2.72 -0.02 -1.26 -4.85 135.00 136.34 1shx n PRO 74 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1shx n PRO 74 Cb 0.51 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.43 1shx n PRO 74 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1shx n GLU 75 N 0.09 0.00 -0.58 -0.52 1.02 -1.26 -3.47 120.64 115.91 1shx n GLU 75 Ca 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 57.16 57.61 1shx n GLU 75 Cb 0.00 0.00 0.78 0.00 -0.02 0.00 0.00 31.44 32.20 1shx n GLU 75 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1shx h ASP 76 N 0.00 0.00 -0.41 1.62 3.32 -2.06 1.74 116.42 120.64 1shx h ASP 76 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1shx h ASP 76 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1shx h ASP 76 CO 0.00 0.00 0.04 0.29 -1.72 0.00 0.00 179.24 177.85 1shx n LYS 77 N -3.92 3.32 -3.62 3.56 5.02 -1.23 -4.92 118.16 116.38 1shx n LYS 77 Ca 0.38 -2.98 -0.39 0.00 -2.02 0.00 0.00 58.31 53.30 1shx n LYS 77 Cb 1.81 -1.99 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 1shx n LYS 77 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1shx s THR 78 N -2.89 4.72 0.12 -0.18 2.01 0.59 -4.93 115.64 115.08 1shx s THR 78 Ca 0.47 -0.49 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 1shx s THR 78 Cb 0.38 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 1shx s THR 78 CO 0.10 -0.02 0.85 -1.61 -0.69 0.00 0.00 174.62 173.25 1shx s GLU 79 N 1.62 4.63 -0.00 4.92 2.02 -1.26 -4.98 118.70 125.64 1shx s GLU 79 Ca 0.04 1.26 0.01 0.00 0.02 0.00 0.00 54.97 56.31 1shx s GLU 79 Cb -0.18 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.72 1shx s GLU 79 CO 0.07 0.37 -0.04 1.03 0.02 0.00 0.00 175.26 176.71 1shx s ARG 80 N -0.47 0.33 0.07 1.61 0.52 -1.26 -4.66 118.95 115.09 1shx s ARG 80 Ca 0.41 -0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.44 1shx s ARG 80 Cb -0.23 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 1shx s ARG 80 CO 0.27 0.09 0.05 0.71 0.02 0.00 0.00 175.30 176.44 1shx s TYR 81 N -0.10 0.44 -0.06 -0.53 2.02 -1.03 0.43 117.35 118.52 1shx s TYR 81 Ca 0.02 -0.94 0.03 0.00 -0.37 0.00 0.00 57.07 55.80 1shx s TYR 81 Cb -0.02 -0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 1shx s TYR 81 CO -0.00 -0.45 -0.14 0.08 -1.57 0.00 0.00 175.55 173.47 1shx s VAL 82 N -3.92 3.05 -0.09 0.71 1.01 -0.68 0.26 120.40 120.73 1shx s VAL 82 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1shx s VAL 82 Cb 0.07 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1shx s VAL 82 CO -0.09 0.58 -0.08 -0.76 0.00 0.00 0.00 175.10 174.75 1shx s LEU 83 N -0.54 3.06 0.15 3.92 1.43 0.50 -1.68 118.68 125.52 1shx s LEU 83 Ca 0.07 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1shx s LEU 83 Cb -0.12 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1shx s LEU 83 CO 0.01 0.29 -0.15 -0.31 0.23 0.00 0.00 176.35 176.42 1shx s TYR 84 N -0.36 1.60 -0.18 0.29 1.51 0.12 0.22 117.35 120.55 1shx s TYR 84 Ca 0.05 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1shx s TYR 84 Cb -0.12 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1shx s TYR 84 CO 0.02 0.24 -0.08 1.41 -1.11 0.00 0.00 175.55 176.03 1shx s MET 85 N -2.95 3.40 0.38 -0.62 1.75 -0.48 -0.95 119.30 119.83 1shx s MET 85 Ca 0.14 -0.65 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 1shx s MET 85 Cb -0.04 -2.83 -0.03 0.00 2.84 0.00 0.00 34.83 34.77 1shx s MET 85 CO 0.05 0.01 0.16 0.14 -0.65 0.00 0.00 175.02 174.73 1shx s VAL 86 N 0.90 0.44 0.81 10.11 -7.23 -0.50 -1.12 120.40 123.82 1shx s VAL 86 Ca -0.02 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 1shx s VAL 86 Cb -0.15 -2.39 0.15 0.00 0.56 0.00 0.00 36.38 34.55 1shx s VAL 86 CO 0.00 0.00 1.12 0.54 -0.31 0.00 0.00 175.10 176.45 1shx s ASN 87 N -3.54 3.94 0.25 4.85 2.20 -1.26 -3.81 114.94 117.58 1shx s ASN 87 Ca 0.28 -0.01 -0.04 0.00 -0.94 0.00 0.00 52.86 52.15 1shx s ASN 87 Cb 0.03 -0.28 0.35 0.00 -2.00 0.00 0.00 41.25 39.34 1shx s ASN 87 CO 0.17 -2.16 1.88 0.15 -2.94 0.00 0.00 177.10 174.21 1shx h PHE 88 N -0.96 1.12 -0.48 1.54 3.57 -1.96 0.06 116.94 119.83 1shx h PHE 88 Ca -0.41 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.02 1shx h PHE 88 Cb 1.26 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1shx h PHE 88 CO -0.49 0.60 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.64 1shx h ASP 89 N 1.12 0.88 0.08 0.41 3.45 -1.98 0.21 116.42 120.60 1shx h ASP 89 Ca 0.39 -0.28 -0.10 0.00 0.43 0.00 0.00 57.03 57.48 1shx h ASP 89 Cb 0.11 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1shx h ASP 89 CO -0.15 1.01 -0.32 1.23 -1.57 0.00 0.00 179.24 179.43 1shx h GLY 90 N 0.97 0.38 0.62 2.75 0.00 -1.62 -0.74 103.07 105.42 1shx h GLY 90 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1shx h GLY 90 CO 0.04 0.30 -0.05 -1.82 0.00 0.00 0.00 176.54 175.02 1shx h TYR 91 N 0.31 0.16 -0.61 5.60 3.20 -0.63 0.16 116.97 125.15 1shx h TYR 91 Ca 0.04 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1shx h TYR 91 Cb 0.72 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1shx h TYR 91 CO 0.02 0.56 0.39 0.77 -1.64 0.00 0.00 178.16 178.26 1shx h SER 92 N -0.29 0.67 -0.29 -2.11 0.02 -0.43 -2.78 113.55 108.33 1shx h SER 92 Ca 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1shx h SER 92 Cb 0.53 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1shx h SER 92 CO 0.01 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 1shx n ALA 93 N -2.27 2.47 -3.57 3.77 0.00 -0.30 -4.93 120.51 115.68 1shx n ALA 93 Ca 0.05 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.56 1shx n ALA 93 Cb 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.49 1shx n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shx s ASP 95 N -3.00 6.30 -0.17 0.00 -1.08 0.41 -4.89 116.67 114.24 1shx s ASP 95 Ca 0.52 -0.29 0.17 0.00 -0.52 0.00 0.00 52.55 52.43 1shx s ASP 95 Cb -0.26 -2.29 0.48 0.00 -1.46 0.00 0.00 42.92 39.39 1shx s ASP 95 CO 0.64 -0.65 1.36 0.00 0.52 0.00 0.00 175.17 177.04 1shx n HIS 96 N 5.98 0.73 -0.05 -5.34 1.44 -1.26 -4.55 115.22 112.17 1shx n HIS 96 Ca -0.03 -0.92 -0.05 0.00 -2.01 0.00 0.00 57.72 54.71 1shx n HIS 96 Cb 0.48 -0.28 -0.07 0.00 0.12 0.00 0.00 29.99 30.24 1shx n HIS 96 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1shx n THR 97 N -0.73 0.66 0.07 0.61 -1.04 -1.26 -4.78 114.28 107.81 1shx n THR 97 Ca 0.20 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.05 61.72 1shx n THR 97 Cb 0.84 -0.76 -0.01 0.00 -1.82 0.00 0.00 70.33 68.57 1shx n THR 97 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1shx h SER 98 N 0.00 0.38 -2.10 8.00 0.02 -2.01 -3.48 113.55 114.37 1shx h SER 98 Ca -0.26 -0.30 0.20 0.00 -0.84 0.00 0.00 61.79 60.59 1shx h SER 98 Cb 1.57 -0.12 -0.33 0.00 0.14 0.00 0.00 62.40 63.67 1shx h SER 98 CO 0.01 1.09 0.86 -0.75 -1.14 0.00 0.00 176.83 176.90 1shx s LYS 99 N -3.29 0.04 0.00 3.45 2.20 -1.26 -5.17 119.74 115.72 1shx s LYS 99 Ca -0.04 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1shx s LYS 99 Cb 0.10 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1shx s LYS 99 CO 0.84 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 176.24 1shx n GLY 100 N 1.95 0.58 3.03 5.54 0.00 -1.26 -4.37 105.19 110.65 1shx n GLY 100 Ca -0.12 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1shx n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shx s PHE 101 N -3.59 -0.02 -0.07 1.61 0.40 -0.27 -4.98 117.98 111.06 1shx s PHE 101 Ca 0.00 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 1shx s PHE 101 Cb 0.00 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.48 1shx s PHE 101 CO 0.00 -0.15 1.12 0.21 0.70 0.00 0.00 175.22 177.10 1shx s LYS 102 N -0.63 4.39 -0.20 0.44 2.36 -1.26 -1.38 119.74 123.44 1shx s LYS 102 Ca -0.07 1.57 -0.07 0.00 -2.55 0.00 0.00 55.97 54.84 1shx s LYS 102 Cb -0.04 -3.54 -0.10 0.00 -1.05 0.00 0.00 37.83 33.10 1shx s LYS 102 CO 0.00 -0.38 -0.24 0.54 1.55 0.00 0.00 175.35 176.82 1shx n ARG 103 N 5.04 0.45 -3.88 4.03 5.12 0.13 -4.94 116.66 122.62 1shx n ARG 103 Ca 0.10 0.17 -0.10 0.00 -1.93 0.00 0.00 57.85 56.09 1shx n ARG 103 Cb 0.47 -1.28 -0.09 0.00 -1.16 0.00 0.00 32.46 30.40 1shx n ARG 103 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1shx s TRP 104 N -2.38 0.12 -0.23 -1.55 0.51 -1.07 -4.99 118.94 109.34 1shx s TRP 104 Ca -0.28 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.33 1shx s TRP 104 Cb 0.10 -0.07 0.05 0.00 -0.81 0.00 0.00 33.47 32.73 1shx s TRP 104 CO 0.39 -0.42 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.28 1shx s GLU 105 N -2.70 2.36 -1.18 4.98 2.12 -1.26 -0.37 118.70 122.65 1shx s GLU 105 Ca -0.04 -1.10 -0.16 0.00 0.36 0.00 0.00 54.97 54.02 1shx s GLU 105 Cb -0.00 -2.70 0.13 0.00 0.26 0.00 0.00 34.13 31.81 1shx s GLU 105 CO -0.05 -0.45 1.46 0.00 -0.54 0.00 0.00 175.26 175.68 1shx n ASN 107 N 6.67 2.24 -3.44 0.00 0.23 -1.26 -2.45 115.26 117.25 1shx n ASN 107 Ca 0.38 -2.81 -0.26 0.00 -0.53 0.00 0.00 54.58 51.35 1shx n ASN 107 Cb 0.45 -0.32 -0.09 0.00 -2.08 0.00 0.00 39.78 37.74 1shx n ASN 107 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1shx n ARG 108 N -1.20 1.44 0.27 -3.83 5.12 -1.26 -4.94 116.66 112.26 1shx n ARG 108 Ca 0.12 -3.94 0.19 0.00 -1.93 0.00 0.00 57.85 52.29 1shx n ARG 108 Cb 0.54 -1.84 0.98 0.00 -1.16 0.00 0.00 32.46 30.97 1shx n ARG 108 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1shx h PRO 109 N 4.61 0.00 -0.11 5.56 0.13 -1.88 -1.40 132.00 138.91 1shx h PRO 109 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 1shx h PRO 109 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1shx h PRO 109 CO 0.62 0.00 -0.35 0.72 -0.23 0.00 0.00 178.00 178.76 1shx n HIS 110 N -2.79 0.34 -1.57 1.56 8.25 -1.26 -1.30 115.22 118.44 1shx n HIS 110 Ca -0.02 -1.51 -0.51 0.00 -0.26 0.00 0.00 57.72 55.42 1shx n HIS 110 Cb 0.07 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.81 1shx n HIS 110 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1shx n SER 111 N -1.13 1.31 -0.24 0.41 3.41 -0.53 -4.87 113.62 111.98 1shx n SER 111 Ca 0.23 1.13 0.02 0.00 -0.26 0.00 0.00 58.87 59.99 1shx n SER 111 Cb 0.79 -1.17 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1shx n SER 111 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1shx h PRO 112 N 3.84 0.03 -2.41 4.33 0.13 -1.97 -3.28 132.00 132.67 1shx h PRO 112 Ca -0.46 -0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1shx h PRO 112 Cb 1.35 -0.01 -0.35 0.00 0.13 0.00 0.00 31.00 32.12 1shx h PRO 112 CO 0.73 0.02 0.14 0.09 -0.23 0.00 0.00 178.00 178.75 1shx n ASN 113 N -5.43 5.49 0.00 1.44 3.02 -1.26 -5.03 115.26 113.50 1shx n ASN 113 Ca 0.10 -3.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.09 1shx n ASN 113 Cb 0.39 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1shx n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1shx n GLY 114 N 0.48 -0.82 3.56 7.41 0.00 -1.24 -4.95 105.19 109.63 1shx n GLY 114 Ca 0.33 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1shx n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shx n PRO 115 N -0.95 0.63 -2.07 1.61 -0.04 -1.26 -4.61 135.00 128.30 1shx n PRO 115 Ca 0.00 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 1shx n PRO 115 Cb 0.00 -2.04 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 1shx n PRO 115 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1shx s LEU 116 N -1.48 4.41 -0.03 1.53 0.20 -1.26 -4.83 118.68 117.22 1shx s LEU 116 Ca 0.73 2.70 0.03 0.00 0.69 0.00 0.00 54.13 58.28 1shx s LEU 116 Cb -0.39 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 41.73 1shx s LEU 116 CO 0.51 -0.59 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.11 1shx s LYS 117 N -1.49 1.14 -0.02 1.98 2.20 -1.26 -1.21 119.74 121.08 1shx s LYS 117 Ca 0.51 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1shx s LYS 117 Cb -0.41 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 1shx s LYS 117 CO 0.51 0.14 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.34 1shx s PHE 118 N 0.17 2.21 -0.03 4.03 0.40 -0.56 -4.97 117.98 119.22 1shx s PHE 118 Ca -0.03 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1shx s PHE 118 Cb -0.09 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1shx s PHE 118 CO 0.01 -0.05 -0.19 -1.12 0.70 0.00 0.00 175.22 174.57 1shx s SER 119 N -0.54 3.68 -0.13 1.36 0.01 -1.26 -0.42 113.70 116.40 1shx s SER 119 Ca 0.08 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1shx s SER 119 Cb -0.10 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1shx s SER 119 CO -0.01 0.32 -0.20 -0.70 0.41 0.00 0.00 173.24 173.07 1shx s GLU 120 N -0.80 3.09 -0.22 12.44 2.56 0.57 -4.96 118.70 131.39 1shx s GLU 120 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 54.97 54.20 1shx s GLU 120 Cb -0.10 -2.46 -0.02 0.00 2.00 0.00 0.00 34.13 33.54 1shx s GLU 120 CO 0.01 0.05 0.01 0.21 -0.56 0.00 0.00 175.26 174.98 1shx s LYS 121 N 0.68 3.58 -1.38 4.30 2.20 -1.26 -0.44 119.74 127.42 1shx s LYS 121 Ca -0.10 -0.53 -0.15 0.00 -0.36 0.00 0.00 55.97 54.84 1shx s LYS 121 Cb -0.16 -3.14 0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1shx s LYS 121 CO 0.01 -0.09 2.00 1.19 -0.36 0.00 0.00 175.35 178.10 1shx n PHE 122 N 4.55 3.88 -4.18 4.03 3.72 -0.72 -4.88 117.46 123.87 1shx n PHE 122 Ca -0.17 -2.94 -0.24 0.00 -0.05 0.00 0.00 57.45 54.05 1shx n PHE 122 Cb 0.51 -2.48 -0.06 0.00 -0.94 0.00 0.00 39.48 36.51 1shx n PHE 122 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1shx s GLN 123 N 3.04 2.65 0.14 -1.08 -2.07 -1.26 0.21 119.66 121.28 1shx s GLN 123 Ca 0.48 -1.13 -0.05 0.00 -1.82 0.00 0.00 55.36 52.83 1shx s GLN 123 Cb 0.10 -2.43 -0.06 0.00 -1.09 0.00 0.00 33.01 29.52 1shx s GLN 123 CO -0.02 0.42 1.34 -0.07 -1.32 0.00 0.00 175.29 175.63 1shx h LEU 124 N 2.00 0.60 -8.29 2.60 3.38 -1.92 0.24 115.31 113.91 1shx h LEU 124 Ca -0.47 -0.44 -0.43 0.00 0.09 0.00 0.00 57.88 56.63 1shx h LEU 124 Cb 1.23 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.55 1shx h LEU 124 CO 0.60 1.22 -0.79 0.12 0.09 0.00 0.00 178.44 179.69 1shx s PHE 125 N -3.45 1.17 -0.02 1.13 5.36 -1.26 -4.36 117.98 116.54 1shx s PHE 125 Ca -0.07 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.57 1shx s PHE 125 Cb 0.09 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1shx s PHE 125 CO 0.87 0.02 -0.04 0.99 -1.46 0.00 0.00 175.22 175.61 1shx s THR 126 N -0.83 0.40 -0.93 0.12 2.01 -1.26 -4.99 115.64 110.16 1shx s THR 126 Ca 0.01 -0.11 0.26 0.00 0.31 0.00 0.00 61.69 62.16 1shx s THR 126 Cb -0.08 -0.41 0.09 0.00 0.01 0.00 0.00 72.50 72.12 1shx s THR 126 CO 0.01 0.16 1.55 -0.81 -0.69 0.00 0.00 174.62 174.84 1shx n PRO 127 N 3.65 0.06 -3.96 4.92 -0.04 -1.26 -4.91 135.00 133.46 1shx n PRO 127 Ca -0.21 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.01 1shx n PRO 127 Cb 0.53 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1shx n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1shx s PHE 128 N -3.03 3.44 -0.38 0.54 0.40 -1.26 -5.03 117.98 112.66 1shx s PHE 128 Ca 0.11 0.11 0.22 0.00 -0.60 0.00 0.00 56.93 56.77 1shx s PHE 128 Cb 0.17 -1.65 0.25 0.00 0.51 0.00 0.00 43.02 42.30 1shx s PHE 128 CO 0.65 0.52 1.48 0.66 0.70 0.00 0.00 175.22 179.24 1shx h SER 129 N 2.24 0.00 -0.16 1.36 4.64 -2.05 -3.18 113.55 116.40 1shx h SER 129 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1shx h SER 129 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1shx h SER 129 CO 0.68 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.86 1shx n LEU 130 N -3.02 1.50 -4.52 5.97 4.77 -1.26 -4.89 117.00 115.55 1shx n LEU 130 Ca 0.03 -0.76 -0.25 0.00 -0.03 0.00 0.00 56.01 55.01 1shx n LEU 130 Cb 0.55 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1shx n LEU 130 CO 0.36 0.29 -0.34 -0.83 -1.33 0.00 0.00 177.39 175.53 1shx s GLY 131 N -0.62 2.16 0.04 -0.72 0.00 -1.20 -5.15 107.32 101.83 1shx s GLY 131 Ca 0.12 -2.09 0.06 0.00 0.00 0.00 0.00 44.72 42.82 1shx s GLY 131 CO 0.06 -1.97 -0.14 -0.12 0.00 0.00 0.00 173.10 170.93 1shx s PHE 132 N -2.82 2.67 -0.07 1.90 5.36 -1.26 -5.01 117.98 118.75 1shx s PHE 132 Ca 0.33 -0.18 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1shx s PHE 132 Cb 0.05 -1.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 1shx s PHE 132 CO 0.15 0.30 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.90 1shx s GLU 133 N -1.50 2.72 0.19 10.12 2.02 -1.26 -4.70 118.70 126.29 1shx s GLU 133 Ca 0.16 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.60 1shx s GLU 133 Cb -0.11 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1shx s GLU 133 CO 0.07 0.59 -0.08 -0.06 0.02 0.00 0.00 175.26 175.79 1shx s PHE 134 N -0.62 2.66 -0.08 1.61 0.40 0.83 -5.00 117.98 117.80 1shx s PHE 134 Ca 0.09 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1shx s PHE 134 Cb -0.11 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 1shx s PHE 134 CO 0.01 0.52 -0.18 1.03 0.70 0.00 0.00 175.22 177.31 1shx s ARG 135 N -2.91 2.78 0.58 0.44 0.52 -1.26 -4.07 118.95 115.03 1shx s ARG 135 Ca 0.26 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 1shx s ARG 135 Cb -0.09 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1shx s ARG 135 CO 0.16 0.42 1.18 -1.25 0.02 0.00 0.00 175.30 175.83 1shx s PRO 136 N -0.21 3.11 -0.61 3.54 0.04 -1.26 -3.19 135.00 136.41 1shx s PRO 136 Ca -0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1shx s PRO 136 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1shx s PRO 136 CO 0.03 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1shx n GLY 137 N 0.37 0.79 3.29 0.56 0.00 0.41 -4.79 105.19 105.82 1shx n GLY 137 Ca 0.13 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1shx n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shx s ARG 138 N -2.58 1.14 0.05 1.61 3.00 -1.19 -4.97 118.95 116.01 1shx s ARG 138 Ca 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 55.73 54.54 1shx s ARG 138 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 34.95 33.62 1shx s ARG 138 CO 0.00 0.28 -0.08 -1.83 0.00 0.00 0.00 175.30 173.67 1shx s GLU 139 N -2.26 2.36 0.20 3.54 -1.05 -1.26 -1.00 118.70 119.22 1shx s GLU 139 Ca 0.09 -0.86 0.09 0.00 -0.15 0.00 0.00 54.97 54.14 1shx s GLU 139 Cb -0.08 -2.41 -0.04 0.00 -0.44 0.00 0.00 34.13 31.16 1shx s GLU 139 CO 0.05 0.56 -0.18 0.71 0.95 0.00 0.00 175.26 177.35 1shx s TYR 140 N -1.10 1.90 0.00 4.83 1.51 0.45 -4.96 117.35 119.98 1shx s TYR 140 Ca 0.19 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1shx s TYR 140 Cb -0.11 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 1shx s TYR 140 CO 0.11 0.41 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.77 1shx s PHE 141 N -2.37 1.15 0.00 2.71 0.40 -1.25 -0.96 117.98 117.67 1shx s PHE 141 Ca 0.20 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1shx s PHE 141 Cb -0.04 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 1shx s PHE 141 CO 0.08 -0.01 -0.15 0.71 0.70 0.00 0.00 175.22 176.55 1shx s TYR 142 N -0.42 1.36 0.13 0.36 1.51 0.06 -1.41 117.35 118.95 1shx s TYR 142 Ca 0.04 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1shx s TYR 142 Cb -0.06 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1shx s TYR 142 CO -0.00 -0.00 0.12 0.96 -1.11 0.00 0.00 175.55 175.51 1shx s ILE 143 N -0.49 0.10 0.14 2.71 -4.36 -0.13 -0.18 121.20 118.99 1shx s ILE 143 Ca 0.05 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.74 1shx s ILE 143 Cb -0.06 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 1shx s ILE 143 CO 0.00 -0.46 -0.10 -0.94 0.24 0.00 0.00 174.94 173.68 1shx s SER 144 N -3.01 1.72 -0.04 4.36 1.04 -0.99 0.13 113.70 116.92 1shx s SER 144 Ca 0.20 -0.99 0.05 0.00 0.48 0.00 0.00 55.95 55.70 1shx s SER 144 Cb 0.06 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1shx s SER 144 CO 0.00 -0.33 -0.18 -0.94 0.98 0.00 0.00 173.24 172.77 1shx s SER 145 N -3.07 2.27 0.33 7.02 1.04 -0.68 -4.36 113.70 116.25 1shx s SER 145 Ca 0.15 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 1shx s SER 145 Cb 0.02 -0.55 -0.12 0.00 0.10 0.00 0.00 66.02 65.48 1shx s SER 145 CO 0.00 0.18 1.50 0.00 0.98 0.00 0.00 173.24 175.90 1shx n ALA 146 N 3.01 2.19 -0.05 5.32 0.00 -1.26 -1.69 120.51 128.02 1shx n ALA 146 Ca -0.17 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1shx n ALA 146 Cb 0.53 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 1shx n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1shx h ILE 147 N 3.07 1.30 0.00 0.00 2.04 -0.34 -1.96 117.51 121.61 1shx h ILE 147 Ca -0.48 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1shx h ILE 147 Cb 1.24 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1shx h ILE 147 CO 0.71 0.57 0.00 -2.65 0.00 0.00 0.00 178.15 176.78 1shx n PRO 148 N -4.07 0.21 -2.85 2.37 -0.02 -1.26 -4.90 135.00 124.47 1shx n PRO 148 Ca -0.06 0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 1shx n PRO 148 Cb 0.64 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1shx n PRO 148 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1shx n ASP 150 N -1.30 -7.90 -4.35 2.55 -0.08 -0.74 -5.05 116.55 99.69 1shx n ASP 150 Ca 0.07 0.64 -0.31 0.00 -1.51 0.00 0.00 54.79 53.69 1shx n ASP 150 Cb 0.12 -5.26 -0.15 0.00 2.34 0.00 0.00 41.12 38.17 1shx n ASP 150 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1shx s ASN 151 N -2.43 3.27 0.00 1.67 0.01 -1.26 -4.74 114.94 111.46 1shx s ASN 151 Ca 0.22 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1shx s ASN 151 Cb -0.06 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.20 1shx s ASN 151 CO 0.77 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 177.27 1shx n GLY 152 N 2.12 0.00 0.00 0.66 0.00 -1.26 -4.59 105.19 102.12 1shx n GLY 152 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1shx n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1shx n ARG 153 N 0.37 0.00 0.10 1.61 0.63 -1.26 -4.38 116.66 113.72 1shx n ARG 153 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1shx n ARG 153 Cb 0.19 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.10 1shx n ARG 153 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1shx n ARG 154 N 0.00 0.00 -2.60 -0.14 1.85 -1.26 -5.14 116.66 109.37 1shx n ARG 154 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1shx n ARG 154 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1shx n ARG 154 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1shx s SER 155 N -2.00 5.92 0.09 2.89 1.04 -1.26 -4.85 113.70 115.53 1shx s SER 155 Ca 0.00 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 56.98 1shx s SER 155 Cb 0.00 -1.91 0.04 0.00 0.10 0.00 0.00 66.02 64.25 1shx s SER 155 CO 0.00 -0.79 0.44 0.00 0.98 0.00 0.00 173.24 173.87 1shx s LEU 157 N -2.40 4.10 0.21 0.00 1.43 -1.26 -4.97 118.68 115.79 1shx s LEU 157 Ca -0.01 1.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1shx s LEU 157 Cb 0.00 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.95 1shx s LEU 157 CO -0.07 -0.23 0.47 -1.59 0.23 0.00 0.00 176.35 175.16 1shx s LYS 158 N -2.73 1.40 -0.18 1.70 -2.85 -1.26 -2.35 119.74 113.47 1shx s LYS 158 Ca 0.57 -1.03 -0.15 0.00 -1.00 0.00 0.00 55.97 54.36 1shx s LYS 158 Cb -0.13 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1shx s LYS 158 CO 0.17 -0.58 0.46 -1.17 0.10 0.00 0.00 175.35 174.34 1shx s LEU 159 N -2.93 0.10 -0.12 2.77 2.96 0.75 -4.51 118.68 117.70 1shx s LEU 159 Ca 0.14 0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1shx s LEU 159 Cb -0.00 1.58 -0.03 0.00 0.50 0.00 0.00 46.19 48.24 1shx s LEU 159 CO 0.01 -0.17 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.07 1shx s LYS 160 N 0.55 3.29 -0.16 1.98 2.20 -0.88 -0.76 119.74 125.95 1shx s LYS 160 Ca -0.02 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1shx s LYS 160 Cb -0.04 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.53 1shx s LYS 160 CO -0.03 0.43 -0.10 0.08 -0.36 0.00 0.00 175.35 175.37 1shx s VAL 161 N -0.16 1.39 -0.22 4.02 1.01 -0.13 -1.47 120.40 124.84 1shx s VAL 161 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1shx s VAL 161 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1shx s VAL 161 CO 0.03 0.28 0.10 0.12 0.00 0.00 0.00 175.10 175.63 1shx s PHE 162 N 1.53 3.24 -0.46 5.22 5.36 0.19 -0.41 117.98 132.65 1shx s PHE 162 Ca 0.02 0.03 -0.19 0.00 -0.96 0.00 0.00 56.93 55.83 1shx s PHE 162 Cb -0.14 -2.19 0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1shx s PHE 162 CO -0.09 0.01 0.59 0.08 -1.46 0.00 0.00 175.22 174.35 1shx s VAL 163 N 0.92 4.90 0.62 3.12 1.01 -0.17 -0.39 120.40 130.41 1shx s VAL 163 Ca 0.05 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1shx s VAL 163 Cb -0.13 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1shx s VAL 163 CO 0.03 -0.65 1.02 0.54 0.00 0.00 0.00 175.10 176.05 1shx n ARG 164 N 6.08 0.91 -1.64 2.72 1.74 0.42 0.15 116.66 127.03 1shx n ARG 164 Ca -0.05 0.36 -0.34 0.00 -0.77 0.00 0.00 57.85 57.05 1shx n ARG 164 Cb 0.47 -2.24 0.07 0.00 -1.02 0.00 0.00 32.46 29.73 1shx n ARG 164 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1shx s PRO 165 N -2.91 2.50 0.24 5.56 0.04 -1.26 -3.56 135.00 135.61 1shx s PRO 165 Ca 0.78 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1shx s PRO 165 Cb -0.40 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 1shx s PRO 165 CO 0.45 -1.53 1.65 2.41 0.04 0.00 0.00 177.00 180.02 1shx n THR 166 N -2.43 0.41 0.00 1.26 -1.04 -1.26 -1.32 114.28 109.91 1shx n THR 166 Ca 0.12 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1shx n THR 166 Cb 0.51 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1shx n THR 166 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1shx n ASN 167 N 3.19 0.00 -0.17 8.00 6.94 -1.26 -4.73 115.26 127.23 1shx n ASN 167 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1shx n ASN 167 Cb 0.35 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1shx n ASN 167 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1shx n SER 168 N 1.61 0.13 -0.67 0.53 7.64 -0.43 -0.29 113.62 122.13 1shx n SER 168 Ca 0.00 -0.77 0.06 0.00 1.01 0.00 0.00 58.87 59.17 1shx n SER 168 Cb 0.00 -0.07 0.16 0.00 -1.01 0.00 0.00 64.21 63.29 1shx n SER 168 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03