#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 2.31 -0.01 3.52 0.00 -1.26 -4.56 120.51 120.50 1shx n ALA 33 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 1shx n ALA 33 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.44 4.30 -4.21 0.00 8.00 -1.26 -4.93 116.55 116.01 1shx n ASP 34 Ca -0.15 -0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.08 1shx n ASP 34 Cb 0.79 0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.07 1.82 -0.28 -1.24 0.52 -1.26 0.36 118.95 116.80 1shx s ARG 35 Ca -0.02 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1shx s ARG 35 Cb 0.01 -1.68 0.06 0.00 0.52 0.00 0.00 34.95 33.86 1shx s ARG 35 CO 0.11 0.39 -0.07 0.71 0.02 0.00 0.00 175.30 176.46 1shx s TYR 36 N -0.32 3.30 -0.02 -0.53 1.51 0.11 -4.07 117.35 117.33 1shx s TYR 36 Ca 0.04 -2.25 -0.27 0.00 -1.01 0.00 0.00 57.07 53.58 1shx s TYR 36 Cb -0.10 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1shx s TYR 36 CO 0.00 -0.87 0.86 0.00 -1.11 0.00 0.00 175.55 174.44 1shx s ALA 37 N 1.13 3.24 -0.18 3.71 0.00 -1.26 -0.32 121.76 128.09 1shx s ALA 37 Ca -0.07 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1shx s ALA 37 Cb -0.20 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1shx s ALA 37 CO -0.04 -0.15 -0.12 0.08 0.00 0.00 0.00 175.76 175.53 1shx s VAL 38 N 0.81 1.61 -0.71 0.00 1.01 0.13 -4.92 120.40 118.33 1shx s VAL 38 Ca 0.45 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1shx s VAL 38 Cb -0.20 -1.62 0.12 0.00 0.00 0.00 0.00 36.38 34.68 1shx s VAL 38 CO 0.24 0.28 0.87 -0.31 0.00 0.00 0.00 175.10 176.18 1shx s TYR 39 N 1.43 3.05 -1.12 5.22 1.51 -1.26 -0.26 117.35 125.92 1shx s TYR 39 Ca 0.01 -1.11 -0.21 0.00 -1.01 0.00 0.00 57.07 54.75 1shx s TYR 39 Cb -0.15 -4.11 0.05 0.00 -0.11 0.00 0.00 41.96 37.64 1shx s TYR 39 CO -0.09 -1.38 1.58 -0.46 -1.11 0.00 0.00 175.55 174.09 1shx s TRP 40 N 2.66 2.59 -0.03 2.71 -0.11 -0.46 -4.77 118.94 121.53 1shx s TRP 40 Ca 0.19 -1.05 -0.30 0.00 1.22 0.00 0.00 56.10 56.16 1shx s TRP 40 Cb -0.16 -4.69 0.07 0.00 -1.50 0.00 0.00 33.47 27.19 1shx s TRP 40 CO 0.01 -1.87 0.66 0.54 -4.62 0.00 0.00 176.95 171.67 1shx s ASN 41 N 4.84 -0.63 0.14 5.86 2.20 -1.26 -3.79 114.94 122.29 1shx s ASN 41 Ca 0.50 0.63 0.09 0.00 -0.94 0.00 0.00 52.86 53.14 1shx s ASN 41 Cb 0.01 0.54 0.48 0.00 -2.00 0.00 0.00 41.25 40.28 1shx s ASN 41 CO -0.03 -0.63 1.26 -1.54 -2.94 0.00 0.00 177.10 173.22 1shx n SER 42 N 0.82 0.23 0.02 3.54 3.41 -1.26 -1.88 113.62 118.49 1shx n SER 42 Ca -0.19 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1shx n SER 42 Cb 0.58 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.80 0.57 -4.66 4.04 7.64 -1.26 -4.64 113.62 113.51 1shx n SER 43 Ca -0.01 -0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.29 1shx n SER 43 Cb 0.04 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.44 6.83 0.28 6.43 3.84 -0.79 -4.91 114.94 123.18 1shx s ASN 44 Ca 0.09 1.94 0.01 0.00 0.21 0.00 0.00 52.86 55.11 1shx s ASN 44 Cb 0.16 -2.54 0.55 0.00 -0.55 0.00 0.00 41.25 38.87 1shx s ASN 44 CO 0.72 -0.82 1.84 -0.65 -2.79 0.00 0.00 177.10 175.40 1shx h PRO 45 N 8.68 0.97 -0.35 0.43 0.11 -1.89 -1.19 132.00 138.76 1shx h PRO 45 Ca -0.32 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.76 1shx h PRO 45 Cb 1.14 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1shx h PRO 45 CO 0.96 0.64 0.24 0.00 -0.21 0.00 0.00 178.00 179.63 1shx h ARG 46 N 1.00 0.31 0.16 1.05 2.47 -1.96 -1.94 114.38 115.47 1shx h ARG 46 Ca 0.50 -0.02 -0.32 0.00 -1.26 0.00 0.00 59.98 58.88 1shx h ARG 46 Cb 0.48 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1shx h ARG 46 CO -0.26 0.21 -1.55 0.74 0.56 0.00 0.00 179.97 179.67 1shx h PHE 47 N 0.32 0.60 -0.95 3.04 0.04 -1.57 -3.30 116.94 115.13 1shx h PHE 47 Ca 0.15 -0.44 0.07 0.00 2.80 0.00 0.00 57.97 60.54 1shx h PHE 47 Cb 0.19 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 1shx h PHE 47 CO -0.00 1.47 0.60 1.96 -0.60 0.00 0.00 178.31 181.74 1shx h GLN 48 N 0.09 1.06 0.00 1.51 1.08 -0.94 -1.80 115.11 116.11 1shx h GLN 48 Ca -0.26 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1shx h GLN 48 Cb 2.06 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 29.25 1shx h GLN 48 CO 0.19 0.70 0.00 0.54 -0.95 0.00 0.00 178.83 179.31 1shx n ARG 49 N -4.55 0.15 -0.87 1.46 1.74 -0.77 -4.88 116.66 108.94 1shx n ARG 49 Ca 0.14 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1shx n ARG 49 Cb 0.19 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1shx n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1shx n GLY 50 N -1.00 0.66 1.78 -0.13 0.00 -0.68 -4.86 105.19 100.96 1shx n GLY 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.03 1.67 -4.66 1.61 5.75 -1.26 -4.91 116.55 114.72 1shx n ASP 51 Ca 0.00 -2.50 -0.42 0.00 -0.01 0.00 0.00 54.79 51.86 1shx n ASP 51 Cb 0.02 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 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 -0.19 2.49 -3.95 2.11 4.19 -1.24 -4.96 117.16 115.59 1shx n TYR 52 Ca 0.12 -0.36 -0.10 0.00 3.31 0.00 0.00 57.90 60.87 1shx n TYR 52 Cb 0.96 -2.80 -0.11 0.00 0.49 0.00 0.00 39.34 37.87 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 4.65 0.20 0.03 2.98 -3.43 -1.26 -2.11 115.29 116.35 1shx s HIS 53 Ca 0.90 -0.41 0.01 0.00 -0.80 0.00 0.00 55.06 54.76 1shx s HIS 53 Cb -0.44 -0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 30.54 1shx s HIS 53 CO 0.42 -0.16 -0.05 0.96 -2.00 0.00 0.00 174.74 173.91 1shx s ILE 54 N -1.20 0.26 -0.14 -5.38 -4.36 -0.70 -4.99 121.20 104.70 1shx s ILE 54 Ca -0.13 -1.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.22 1shx s ILE 54 Cb -0.08 -0.42 -0.03 0.00 1.25 0.00 0.00 42.46 43.17 1shx s ILE 54 CO -0.01 -0.48 0.01 -1.81 0.24 0.00 0.00 174.94 172.90 1shx s ASP 55 N -1.55 5.27 0.25 4.36 1.01 -1.26 -1.21 116.67 123.53 1shx s ASP 55 Ca -0.13 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.20 1shx s ASP 55 Cb -0.09 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.06 1shx s ASP 55 CO -0.01 0.26 0.11 0.68 0.21 0.00 0.00 175.17 176.42 1shx s VAL 56 N -0.17 0.42 0.26 -1.27 -7.23 -0.29 -4.95 120.40 107.19 1shx s VAL 56 Ca 0.05 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.31 1shx s VAL 56 Cb -0.12 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1shx s VAL 56 CO 0.02 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 174.86 1shx n ILE 58 N -0.97 2.03 -0.98 0.00 2.08 -1.26 -1.27 119.36 118.99 1shx n ILE 58 Ca -0.07 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1shx n ILE 58 Cb 0.59 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 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 0.50 -0.46 -4.85 4.38 3.02 0.39 -4.99 115.26 113.25 1shx n ASN 59 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 1shx n ASN 59 Cb 0.38 -0.18 0.10 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.82 4.28 0.09 6.41 1.01 -0.39 -4.73 116.67 120.51 1shx s ASP 60 Ca 0.00 0.79 0.09 0.00 0.71 0.00 0.00 52.55 54.14 1shx s ASP 60 Cb 0.00 -1.28 -0.03 0.00 1.01 0.00 0.00 42.92 42.62 1shx s ASP 60 CO 0.00 -2.05 -0.24 -0.31 0.21 0.00 0.00 175.17 172.79 1shx s TYR 61 N -3.54 2.04 -0.15 4.23 1.51 0.16 -1.37 117.35 120.22 1shx s TYR 61 Ca 0.63 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1shx s TYR 61 Cb -0.11 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1shx s TYR 61 CO 0.50 0.21 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.88 1shx s LEU 62 N -1.68 2.84 -0.26 -1.29 2.96 0.65 -0.72 118.68 121.19 1shx s LEU 62 Ca 0.10 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1shx s LEU 62 Cb -0.10 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1shx s LEU 62 CO 0.04 0.13 0.00 -1.81 -1.32 0.00 0.00 176.35 173.40 1shx s ASP 63 N 0.56 4.66 -0.24 3.68 1.01 0.57 -0.58 116.67 126.33 1shx s ASP 63 Ca -0.06 -0.64 -0.09 0.00 0.71 0.00 0.00 52.55 52.46 1shx s ASP 63 Cb -0.15 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1shx s ASP 63 CO 0.03 -0.12 0.13 -0.69 0.21 0.00 0.00 175.17 174.73 1shx s VAL 64 N 1.45 5.04 -0.21 -1.27 1.01 0.87 0.23 120.40 127.52 1shx s VAL 64 Ca 0.03 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1shx s VAL 64 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1shx s VAL 64 CO -0.01 0.35 0.05 -0.36 0.00 0.00 0.00 175.10 175.13 1shx s PHE 65 N 1.13 3.12 0.59 5.22 0.40 0.64 -0.77 117.98 128.30 1shx s PHE 65 Ca 0.06 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 1shx s PHE 65 Cb -0.14 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1shx s PHE 65 CO 0.05 -0.16 1.02 0.00 0.70 0.00 0.00 175.22 176.82 1shx n PRO 67 N -2.37 1.97 -4.00 0.00 -0.02 -1.25 -4.51 135.00 124.81 1shx n PRO 67 Ca 0.07 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1shx n PRO 67 Cb 0.54 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.38 0.27 0.08 6.00 2.46 -1.26 -4.40 115.29 118.06 1shx s HIS 68 Ca 0.65 -0.19 -0.01 0.00 0.47 0.00 0.00 55.06 55.99 1shx s HIS 68 Cb -0.64 -0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 31.59 1shx s HIS 68 CO 0.53 -0.05 -0.01 0.71 -2.47 0.00 0.00 174.74 173.45 1shx s TYR 69 N -0.48 0.68 0.58 3.88 1.51 -0.19 -5.04 117.35 118.29 1shx s TYR 69 Ca -0.04 -1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 54.78 1shx s TYR 69 Cb -0.04 -0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1shx s TYR 69 CO -0.00 -0.37 1.04 -1.21 -1.11 0.00 0.00 175.55 173.89 1shx s GLU 70 N -3.94 3.47 0.60 -0.62 2.02 -1.26 -4.68 118.70 114.30 1shx s GLU 70 Ca 0.12 1.12 0.31 0.00 0.02 0.00 0.00 54.97 56.55 1shx s GLU 70 Cb 0.07 -2.06 1.82 0.00 0.10 0.00 0.00 34.13 34.07 1shx s GLU 70 CO -0.06 -0.68 2.18 -0.44 0.02 0.00 0.00 175.26 176.28 1shx h ASP 71 N 0.50 0.00 0.01 -0.19 3.32 -1.97 -2.34 116.42 115.74 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 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1shx h ASP 71 CO 0.59 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.57 1shx n SER 72 N -3.67 0.00 -4.68 6.45 3.41 -1.26 -4.76 113.62 109.10 1shx n SER 72 Ca -0.01 -0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 57.69 1shx n SER 72 Cb 0.21 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.01 5.18 -0.09 -3.33 1.01 -0.88 -5.00 120.40 115.27 1shx s VAL 73 Ca 0.26 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1shx s VAL 73 Cb 0.12 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1shx s VAL 73 CO 0.20 0.26 0.00 -0.81 0.00 0.00 0.00 175.10 174.75 1shx n PRO 74 N 4.32 0.00 0.00 2.72 -0.04 -1.26 -4.90 135.00 135.84 1shx n PRO 74 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1shx n PRO 74 Cb 0.51 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1shx n PRO 74 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1shx n GLU 75 N 0.69 0.00 -0.37 0.54 1.02 -1.26 -3.59 120.64 117.67 1shx n GLU 75 Ca 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 57.16 57.52 1shx n GLU 75 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 31.44 32.12 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 -0.53 1.62 3.32 -2.05 0.88 116.42 119.66 1shx h ASP 76 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1shx h ASP 76 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1shx h ASP 76 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1shx n LYS 77 N -3.83 2.86 -3.27 3.56 5.02 -1.24 -4.94 118.16 116.33 1shx n LYS 77 Ca 0.29 -2.38 -0.39 0.00 -2.02 0.00 0.00 58.31 53.81 1shx n LYS 77 Cb 1.48 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.98 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 -1.09 5.10 0.07 -0.18 2.01 0.30 -4.99 115.64 116.86 1shx s THR 78 Ca 0.36 0.86 -0.22 0.00 0.31 0.00 0.00 61.69 63.00 1shx s THR 78 Cb 0.19 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1shx s THR 78 CO 0.24 0.14 0.66 -1.61 -0.69 0.00 0.00 174.62 173.36 1shx s GLU 79 N 1.97 4.38 0.00 4.92 2.02 -1.26 -4.99 118.70 125.74 1shx s GLU 79 Ca 0.21 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.11 1shx s GLU 79 Cb -0.15 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 1shx s GLU 79 CO 0.09 0.48 -0.02 1.03 0.02 0.00 0.00 175.26 176.86 1shx s ARG 80 N -0.65 0.14 0.08 1.61 0.52 -1.26 -4.66 118.95 114.73 1shx s ARG 80 Ca 0.33 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.34 1shx s ARG 80 Cb -0.20 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.18 1shx s ARG 80 CO 0.21 0.02 0.12 0.71 0.02 0.00 0.00 175.30 176.38 1shx s TYR 81 N -0.26 0.30 -0.11 -0.53 2.02 -0.96 -0.62 117.35 117.20 1shx s TYR 81 Ca -0.02 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1shx s TYR 81 Cb -0.02 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 1shx s TYR 81 CO -0.00 -0.50 -0.14 0.08 -1.57 0.00 0.00 175.55 173.42 1shx s VAL 82 N -3.89 3.00 -0.14 0.71 1.01 -0.67 0.09 120.40 120.51 1shx s VAL 82 Ca 0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1shx s VAL 82 Cb 0.06 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1shx s VAL 82 CO -0.10 0.54 0.01 -0.76 0.00 0.00 0.00 175.10 174.79 1shx s LEU 83 N 0.08 3.54 0.13 3.92 1.43 0.80 -2.05 118.68 126.53 1shx s LEU 83 Ca -0.06 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1shx s LEU 83 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1shx s LEU 83 CO 0.05 0.25 -0.23 -0.31 0.23 0.00 0.00 176.35 176.33 1shx s TYR 84 N -0.09 2.02 -0.15 0.29 1.51 0.01 0.09 117.35 121.04 1shx s TYR 84 Ca 0.04 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.63 1shx s TYR 84 Cb -0.13 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1shx s TYR 84 CO 0.02 0.29 0.09 1.41 -1.11 0.00 0.00 175.55 176.25 1shx s MET 85 N -2.13 3.66 0.28 -0.62 1.75 -0.50 -1.40 119.30 120.35 1shx s MET 85 Ca 0.11 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.33 1shx s MET 85 Cb -0.09 -3.17 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 1shx s MET 85 CO 0.06 0.53 0.19 0.14 -0.65 0.00 0.00 175.02 175.28 1shx s VAL 86 N -0.33 0.12 0.77 10.11 -7.23 -0.25 -1.39 120.40 122.20 1shx s VAL 86 Ca 0.10 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1shx s VAL 86 Cb -0.12 -2.50 0.13 0.00 0.56 0.00 0.00 36.38 34.45 1shx s VAL 86 CO 0.01 0.00 1.08 0.54 -0.31 0.00 0.00 175.10 176.42 1shx s ASN 87 N -3.30 4.16 0.20 4.85 2.20 -1.22 -3.75 114.94 118.07 1shx s ASN 87 Ca 0.38 -0.00 -0.11 0.00 -0.94 0.00 0.00 52.86 52.20 1shx s ASN 87 Cb 0.05 -0.37 0.23 0.00 -2.00 0.00 0.00 41.25 39.16 1shx s ASN 87 CO 0.19 -2.01 1.76 0.15 -2.94 0.00 0.00 177.10 174.25 1shx h PHE 88 N -0.82 0.45 -0.32 1.54 3.57 -1.96 -0.10 116.94 119.31 1shx h PHE 88 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1shx h PHE 88 Cb 1.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1shx h PHE 88 CO -0.32 0.16 0.21 -0.44 -2.23 0.00 0.00 178.31 175.70 1shx h ASP 89 N 0.47 0.36 -0.85 0.41 3.45 -1.97 -0.03 116.42 118.25 1shx h ASP 89 Ca 0.28 -0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.76 1shx h ASP 89 Cb 0.28 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 38.92 1shx h ASP 89 CO -0.25 0.26 0.56 1.23 -1.57 0.00 0.00 179.24 179.48 1shx h GLY 90 N 0.43 1.21 0.83 2.75 0.00 -1.59 -1.56 103.07 105.15 1shx h GLY 90 Ca 0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1shx h GLY 90 CO -0.03 0.38 0.03 -1.82 0.00 0.00 0.00 176.54 175.10 1shx h TYR 91 N 1.08 0.36 -0.52 5.60 3.20 -0.45 0.65 116.97 126.89 1shx h TYR 91 Ca 0.33 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 1shx h TYR 91 Cb -0.01 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1shx h TYR 91 CO -0.00 0.49 -0.07 0.77 -1.64 0.00 0.00 178.16 177.71 1shx h SER 92 N 0.12 0.93 -0.00 -2.11 0.02 -0.80 -2.85 113.55 108.86 1shx h SER 92 Ca 0.06 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1shx h SER 92 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1shx h SER 92 CO 0.01 1.03 -0.01 0.00 -1.14 0.00 0.00 176.83 176.71 1shx n ALA 93 N -2.49 2.60 -3.81 3.77 0.00 -0.61 -4.92 120.51 115.06 1shx n ALA 93 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1shx n ALA 93 Cb 0.37 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.87 4.56 0.00 0.00 2.15 0.21 -4.95 116.67 114.77 1shx s ASP 95 Ca 0.31 -1.03 0.16 0.00 0.43 0.00 0.00 52.55 52.42 1shx s ASP 95 Cb -0.16 -1.69 0.42 0.00 -0.30 0.00 0.00 42.92 41.20 1shx s ASP 95 CO 0.82 -0.18 1.34 0.00 -0.17 0.00 0.00 175.17 176.98 1shx n HIS 96 N 4.65 0.62 -0.08 -5.34 1.44 -1.26 -4.44 115.22 110.82 1shx n HIS 96 Ca -0.15 -0.46 -0.23 0.00 -2.01 0.00 0.00 57.72 54.87 1shx n HIS 96 Cb 0.46 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 30.43 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 0.97 1.61 0.04 0.61 -1.04 -1.26 -4.61 114.28 110.60 1shx n THR 97 Ca 0.16 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 1shx n THR 97 Cb 0.50 -1.80 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.47 -0.09 -1.97 8.00 0.02 -2.01 -3.44 113.55 113.59 1shx h SER 98 Ca -0.48 -0.32 -0.17 0.00 -0.84 0.00 0.00 61.79 59.98 1shx h SER 98 Cb 1.71 0.02 -0.30 0.00 0.14 0.00 0.00 62.40 63.97 1shx h SER 98 CO -0.13 0.29 -0.49 -0.54 -1.14 0.00 0.00 176.83 174.81 1shx s LYS 99 N -4.67 0.33 0.00 3.45 1.02 -1.26 -5.12 119.74 113.48 1shx s LYS 99 Ca -0.15 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.35 1shx s LYS 99 Cb 0.02 -0.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1shx s LYS 99 CO 0.64 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1shx n GLY 100 N 5.36 -2.49 3.29 -3.33 0.00 -1.26 -3.37 105.19 103.39 1shx n GLY 100 Ca -0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1shx n GLY 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1shx s PHE 101 N -2.19 -0.22 0.11 1.61 -0.71 -0.49 -4.96 117.98 111.13 1shx s PHE 101 Ca 0.00 0.20 -0.31 0.00 -1.04 0.00 0.00 56.93 55.78 1shx s PHE 101 Cb 0.00 0.17 -0.09 0.00 -1.21 0.00 0.00 43.02 41.89 1shx s PHE 101 CO 0.00 -0.52 1.59 0.21 -1.34 0.00 0.00 175.22 175.16 1shx s LYS 102 N -2.23 4.22 -0.19 1.99 2.20 -1.26 -1.41 119.74 123.06 1shx s LYS 102 Ca -0.07 2.31 -0.09 0.00 -0.36 0.00 0.00 55.97 57.76 1shx s LYS 102 Cb -0.02 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1shx s LYS 102 CO -0.01 -0.65 -0.24 0.54 -0.36 0.00 0.00 175.35 174.63 1shx n ARG 103 N 4.82 0.40 -4.01 4.03 5.12 0.11 -4.90 116.66 122.23 1shx n ARG 103 Ca 0.15 0.17 -0.08 0.00 -1.93 0.00 0.00 57.85 56.15 1shx n ARG 103 Cb 0.40 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.34 0.33 -0.23 -1.55 0.51 -1.00 -5.00 118.94 109.66 1shx s TRP 104 Ca -0.26 -0.68 0.02 0.00 -2.12 0.00 0.00 56.10 53.06 1shx s TRP 104 Cb 0.10 -0.25 0.04 0.00 -0.81 0.00 0.00 33.47 32.55 1shx s TRP 104 CO 0.33 -0.24 -0.15 -2.00 -0.51 0.00 0.00 176.95 174.38 1shx s GLU 105 N -2.17 2.57 -1.19 4.98 2.12 -1.26 -0.14 118.70 123.61 1shx s GLU 105 Ca -0.09 -1.12 -0.11 0.00 0.36 0.00 0.00 54.97 54.01 1shx s GLU 105 Cb -0.05 -2.76 0.21 0.00 0.26 0.00 0.00 34.13 31.79 1shx s GLU 105 CO -0.04 -0.41 1.44 0.00 -0.54 0.00 0.00 175.26 175.71 1shx n ASN 107 N 4.35 2.67 -3.32 0.00 0.23 -1.26 -2.27 115.26 115.66 1shx n ASN 107 Ca 0.34 -2.85 -0.26 0.00 -0.53 0.00 0.00 54.58 51.28 1shx n ASN 107 Cb 0.40 -0.38 -0.07 0.00 -2.08 0.00 0.00 39.78 37.65 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 -0.98 1.92 0.30 -3.83 5.12 -1.26 -4.92 116.66 113.01 1shx n ARG 108 Ca 0.15 -4.18 0.20 0.00 -1.93 0.00 0.00 57.85 52.09 1shx n ARG 108 Cb 0.63 -1.90 1.07 0.00 -1.16 0.00 0.00 32.46 31.09 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 4.05 0.00 -0.12 5.56 0.13 -1.86 -1.48 132.00 138.27 1shx h PRO 109 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.22 1shx h PRO 109 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 1shx h PRO 109 CO 0.71 0.00 -0.32 0.72 -0.23 0.00 0.00 178.00 178.88 1shx n HIS 110 N -2.89 0.38 -1.63 1.56 8.25 -1.26 -1.02 115.22 118.61 1shx n HIS 110 Ca -0.03 -1.49 -0.48 0.00 -0.26 0.00 0.00 57.72 55.46 1shx n HIS 110 Cb 0.08 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 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 2.18 -0.27 0.41 3.41 -0.56 -4.88 113.62 112.79 1shx n SER 111 Ca 0.24 1.13 0.07 0.00 -0.26 0.00 0.00 58.87 60.04 1shx n SER 111 Cb 0.81 -1.32 0.21 0.00 -0.26 0.00 0.00 64.21 63.65 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 4.38 0.47 -1.67 4.33 0.13 -1.97 -3.20 132.00 134.47 1shx h PRO 112 Ca -0.45 -0.03 -0.71 0.00 -0.87 0.00 0.00 66.00 63.94 1shx h PRO 112 Cb 1.30 -0.11 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1shx h PRO 112 CO 0.77 0.31 0.64 0.09 -0.23 0.00 0.00 178.00 179.58 1shx n ASN 113 N -4.97 6.97 0.00 1.44 3.02 -1.26 -5.04 115.26 115.42 1shx n ASN 113 Ca 0.16 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1shx n ASN 113 Cb 0.45 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.61 -0.14 3.64 7.41 0.00 -1.21 -4.97 105.19 109.31 1shx n GLY 114 Ca 0.53 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1shx n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shx n PRO 115 N -0.32 1.39 -2.03 1.61 -0.02 -1.26 -4.57 135.00 129.80 1shx n PRO 115 Ca 0.00 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1shx n PRO 115 Cb 0.00 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1shx n PRO 115 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1shx s LEU 116 N -1.22 4.40 -0.04 2.45 1.43 -1.26 -4.81 118.68 119.62 1shx s LEU 116 Ca 0.66 2.75 0.03 0.00 -1.03 0.00 0.00 54.13 56.53 1shx s LEU 116 Cb -0.51 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1shx s LEU 116 CO 0.55 -0.64 -0.12 -0.75 0.23 0.00 0.00 176.35 175.62 1shx s LYS 117 N -1.44 1.32 0.15 1.70 2.20 -1.26 -0.96 119.74 121.45 1shx s LYS 117 Ca 0.53 -0.40 0.11 0.00 -0.36 0.00 0.00 55.97 55.85 1shx s LYS 117 Cb -0.42 -1.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.69 1shx s LYS 117 CO 0.52 0.12 -0.25 -0.06 -0.36 0.00 0.00 175.35 175.32 1shx s PHE 118 N 0.28 2.23 -0.04 4.03 0.40 0.05 -4.95 117.98 119.97 1shx s PHE 118 Ca -0.06 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1shx s PHE 118 Cb -0.11 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.25 1shx s PHE 118 CO 0.02 0.38 -0.18 -1.12 0.70 0.00 0.00 175.22 175.02 1shx s SER 119 N -2.30 2.24 -0.14 1.36 0.01 -1.26 -0.09 113.70 113.51 1shx s SER 119 Ca 0.16 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1shx s SER 119 Cb -0.09 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1shx s SER 119 CO 0.07 0.18 -0.15 -0.70 0.41 0.00 0.00 173.24 173.05 1shx s GLU 120 N -0.09 3.25 -0.15 12.44 2.56 0.25 -4.95 118.70 132.01 1shx s GLU 120 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 54.97 54.17 1shx s GLU 120 Cb -0.11 -2.60 -0.03 0.00 2.00 0.00 0.00 34.13 33.39 1shx s GLU 120 CO 0.02 0.09 -0.00 0.21 -0.56 0.00 0.00 175.26 175.01 1shx s LYS 121 N 0.64 3.64 -1.28 4.30 2.20 -1.26 -0.25 119.74 127.74 1shx s LYS 121 Ca -0.08 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 54.96 1shx s LYS 121 Cb -0.16 -2.98 0.15 0.00 -1.51 0.00 0.00 37.83 33.33 1shx s LYS 121 CO 0.02 0.33 1.76 1.19 -0.36 0.00 0.00 175.35 178.29 1shx n PHE 122 N 3.28 3.80 -4.10 4.03 3.72 -0.47 -4.92 117.46 122.81 1shx n PHE 122 Ca -0.17 -3.00 -0.27 0.00 -0.05 0.00 0.00 57.45 53.96 1shx n PHE 122 Cb 0.53 -2.14 -0.06 0.00 -0.94 0.00 0.00 39.48 36.86 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 1.34 2.78 0.20 -1.08 -2.07 -1.26 0.15 119.66 119.71 1shx s GLN 123 Ca 0.42 -0.89 0.01 0.00 -1.82 0.00 0.00 55.36 53.08 1shx s GLN 123 Cb 0.06 -2.59 0.12 0.00 -1.09 0.00 0.00 33.01 29.50 1shx s GLN 123 CO 0.00 0.49 1.48 -0.07 -1.32 0.00 0.00 175.29 175.87 1shx h LEU 124 N 2.64 0.40 -8.10 2.60 3.38 -1.92 -0.12 115.31 114.19 1shx h LEU 124 Ca -0.47 -0.25 -0.47 0.00 0.09 0.00 0.00 57.88 56.77 1shx h LEU 124 Cb 1.19 -0.12 -0.30 0.00 0.09 0.00 0.00 40.66 41.52 1shx h LEU 124 CO 0.62 0.96 -0.81 0.12 0.09 0.00 0.00 178.44 179.43 1shx s PHE 125 N -3.66 1.20 -0.05 1.13 5.36 -1.26 -4.44 117.98 116.26 1shx s PHE 125 Ca -0.05 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1shx s PHE 125 Cb 0.11 -0.82 0.01 0.00 -0.34 0.00 0.00 43.02 41.99 1shx s PHE 125 CO 0.82 -0.09 -0.09 0.99 -1.46 0.00 0.00 175.22 175.39 1shx s THR 126 N -0.01 0.88 -0.97 0.12 2.01 -1.26 -5.01 115.64 111.39 1shx s THR 126 Ca -0.01 -0.36 0.26 0.00 0.31 0.00 0.00 61.69 61.90 1shx s THR 126 Cb -0.08 -0.81 0.10 0.00 0.01 0.00 0.00 72.50 71.72 1shx s THR 126 CO 0.01 0.29 1.61 -0.81 -0.69 0.00 0.00 174.62 175.03 1shx n PRO 127 N 3.69 0.02 -4.00 4.92 -0.04 -1.26 -4.86 135.00 133.47 1shx n PRO 127 Ca -0.22 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 1shx n PRO 127 Cb 0.52 -1.52 -0.06 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 -3.01 3.39 -0.05 0.54 0.40 -1.26 -5.01 117.98 112.98 1shx s PHE 128 Ca 0.12 0.24 0.27 0.00 -0.60 0.00 0.00 56.93 56.95 1shx s PHE 128 Cb 0.18 -1.75 0.87 0.00 0.51 0.00 0.00 43.02 42.83 1shx s PHE 128 CO 0.63 0.58 1.80 0.66 0.70 0.00 0.00 175.22 179.59 1shx h SER 129 N 3.68 0.00 -0.34 1.36 4.64 -2.05 -3.07 113.55 117.76 1shx h SER 129 Ca -0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 1shx h SER 129 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 1shx h SER 129 CO 0.68 0.10 0.22 0.18 -0.87 0.00 0.00 176.83 177.14 1shx n LEU 130 N -3.19 4.27 -4.14 5.97 4.77 -1.26 -4.87 117.00 118.55 1shx n LEU 130 Ca 0.01 -2.22 -0.09 0.00 -0.03 0.00 0.00 56.01 53.69 1shx n LEU 130 Cb 0.43 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1shx n LEU 130 CO 0.32 0.69 -0.35 -0.83 -1.33 0.00 0.00 177.39 175.88 1shx s GLY 131 N 0.19 0.74 -0.03 -0.72 0.00 -1.16 -5.16 107.32 101.17 1shx s GLY 131 Ca 0.20 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.60 1shx s GLY 131 CO 0.04 -1.38 -0.10 -0.12 0.00 0.00 0.00 173.10 171.54 1shx s PHE 132 N -3.85 2.83 -0.14 1.90 5.36 -1.26 -5.00 117.98 117.82 1shx s PHE 132 Ca 0.14 -0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1shx s PHE 132 Cb 0.07 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 41.09 1shx s PHE 132 CO -0.05 0.30 -0.08 -1.21 -1.46 0.00 0.00 175.22 172.72 1shx s GLU 133 N -1.04 3.48 0.28 10.12 2.02 -1.26 -4.66 118.70 127.64 1shx s GLU 133 Ca 0.14 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.60 1shx s GLU 133 Cb -0.11 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1shx s GLU 133 CO 0.03 0.26 0.29 -0.06 0.02 0.00 0.00 175.26 175.80 1shx s PHE 134 N 0.27 3.14 -0.03 1.61 0.40 -0.06 -4.98 117.98 118.33 1shx s PHE 134 Ca -0.06 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1shx s PHE 134 Cb -0.15 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1shx s PHE 134 CO 0.04 0.36 -0.24 1.03 0.70 0.00 0.00 175.22 177.11 1shx s ARG 135 N -3.95 2.07 0.69 0.44 0.52 -1.26 -4.14 118.95 113.32 1shx s ARG 135 Ca 0.36 -0.88 -0.14 0.00 -0.52 0.00 0.00 55.73 54.56 1shx s ARG 135 Cb -0.08 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.45 1shx s ARG 135 CO 0.27 0.50 1.11 -1.25 0.02 0.00 0.00 175.30 175.95 1shx s PRO 136 N -0.50 2.66 -0.16 3.54 0.04 -1.26 -3.27 135.00 136.04 1shx s PRO 136 Ca 0.07 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1shx s PRO 136 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1shx s PRO 136 CO -0.00 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1shx n GLY 137 N -0.61 0.52 3.40 0.56 0.00 0.23 -4.79 105.19 104.51 1shx n GLY 137 Ca 0.10 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.21 1.45 0.02 1.61 3.00 -1.12 -4.94 118.95 117.77 1shx s ARG 138 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 55.73 54.30 1shx s ARG 138 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 34.95 33.09 1shx s ARG 138 CO 0.00 0.41 0.04 -1.21 0.00 0.00 0.00 175.30 174.54 1shx s GLU 139 N -2.44 2.87 0.13 3.54 2.02 -1.26 0.18 118.70 123.73 1shx s GLU 139 Ca 0.18 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.62 1shx s GLU 139 Cb -0.09 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1shx s GLU 139 CO 0.08 0.61 -0.14 0.71 0.02 0.00 0.00 175.26 176.54 1shx s TYR 140 N -1.20 1.44 0.00 1.61 1.51 0.30 -4.95 117.35 116.07 1shx s TYR 140 Ca 0.23 -0.55 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1shx s TYR 140 Cb -0.12 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1shx s TYR 140 CO 0.14 0.16 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.57 1shx s PHE 141 N -2.15 1.04 0.04 2.71 0.40 -1.25 0.17 117.98 118.94 1shx s PHE 141 Ca 0.10 -0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.25 1shx s PHE 141 Cb -0.05 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1shx s PHE 141 CO 0.03 -0.01 -0.16 0.71 0.70 0.00 0.00 175.22 176.49 1shx s TYR 142 N -0.43 1.41 0.09 0.36 1.51 0.29 -1.09 117.35 119.49 1shx s TYR 142 Ca 0.03 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1shx s TYR 142 Cb -0.05 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1shx s TYR 142 CO -0.00 0.05 0.07 0.96 -1.11 0.00 0.00 175.55 175.52 1shx s ILE 143 N -0.81 0.16 0.28 2.71 -4.36 -0.49 -0.59 121.20 118.09 1shx s ILE 143 Ca 0.04 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.82 1shx s ILE 143 Cb -0.08 -1.64 -0.06 0.00 1.25 0.00 0.00 42.46 41.93 1shx s ILE 143 CO 0.01 -0.73 -0.03 -0.94 0.24 0.00 0.00 174.94 173.50 1shx s SER 144 N -2.94 2.54 -0.04 4.36 1.04 -0.97 -0.81 113.70 116.87 1shx s SER 144 Ca 0.12 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1shx s SER 144 Cb 0.07 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.08 1shx s SER 144 CO -0.06 -0.42 -0.06 -0.94 0.98 0.00 0.00 173.24 172.74 1shx s SER 145 N -3.43 1.01 0.24 7.02 1.04 -0.87 -4.39 113.70 114.32 1shx s SER 145 Ca 0.30 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 56.27 1shx s SER 145 Cb 0.05 -0.44 -0.12 0.00 0.10 0.00 0.00 66.02 65.61 1shx s SER 145 CO 0.12 -0.02 1.62 0.00 0.98 0.00 0.00 173.24 175.94 1shx n ALA 146 N 3.83 2.33 -0.08 5.32 0.00 -1.26 -1.67 120.51 128.98 1shx n ALA 146 Ca -0.24 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1shx n ALA 146 Cb 0.52 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 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 3.52 1.29 0.00 0.00 2.04 -1.18 -1.38 117.51 121.79 1shx h ILE 147 Ca -0.45 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1shx h ILE 147 Cb 1.23 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1shx h ILE 147 CO 0.86 0.34 0.00 -0.81 0.00 0.00 0.00 178.15 178.54 1shx n PRO 148 N -4.57 0.08 -2.58 2.37 -0.04 -1.26 -4.91 135.00 124.10 1shx n PRO 148 Ca -0.04 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1shx n PRO 148 Cb 0.31 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1shx n PRO 148 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1shx n ASP 150 N -1.40 -6.74 -4.29 3.54 -0.08 -0.52 -5.07 116.55 101.99 1shx n ASP 150 Ca 0.04 0.42 -0.31 0.00 -1.51 0.00 0.00 54.79 53.43 1shx n ASP 150 Cb 0.11 -4.50 -0.16 0.00 2.34 0.00 0.00 41.12 38.91 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 -2.29 3.02 -1.31 1.67 0.01 -1.26 -4.74 114.94 110.03 1shx s ASN 151 Ca 0.19 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1shx s ASN 151 Cb -0.05 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.13 1shx s ASN 151 CO 0.61 0.29 0.00 0.61 -1.51 0.00 0.00 177.10 177.11 1shx n GLY 152 N 2.59 1.17 0.00 0.66 0.00 -1.26 -4.64 105.19 103.72 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 -1.60 0.00 0.12 1.61 0.63 -1.26 -4.17 116.66 111.98 1shx n ARG 153 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1shx n ARG 153 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 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 -1.87 -0.14 1.85 -1.26 -5.14 116.66 110.10 1shx n ARG 154 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1shx n ARG 154 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 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 -1.66 5.83 0.06 2.89 1.04 -1.26 -4.85 113.70 115.75 1shx s SER 155 Ca 0.00 1.62 -0.17 0.00 0.48 0.00 0.00 55.95 57.88 1shx s SER 155 Cb 0.00 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.65 1shx s SER 155 CO 0.00 -1.14 0.39 0.00 0.98 0.00 0.00 173.24 173.47 1shx s LEU 157 N -2.19 4.04 0.10 0.00 1.43 -1.26 -4.94 118.68 115.86 1shx s LEU 157 Ca -0.03 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.71 1shx s LEU 157 Cb -0.00 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1shx s LEU 157 CO -0.05 -0.36 0.37 -1.59 0.23 0.00 0.00 176.35 174.95 1shx s LYS 158 N -2.85 0.99 -0.07 1.70 -2.85 -1.26 -2.30 119.74 113.10 1shx s LYS 158 Ca 0.59 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.87 1shx s LYS 158 Cb -0.14 0.43 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1shx s LYS 158 CO 0.18 -0.36 0.18 -1.17 0.10 0.00 0.00 175.35 174.27 1shx s LEU 159 N -2.58 1.03 -0.12 2.77 2.96 0.24 -4.42 118.68 118.56 1shx s LEU 159 Ca 0.01 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1shx s LEU 159 Cb 0.01 0.55 -0.02 0.00 0.50 0.00 0.00 46.19 47.23 1shx s LEU 159 CO -0.09 -0.10 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.00 1shx s LYS 160 N 0.56 3.28 -0.12 1.98 2.20 -0.89 -0.55 119.74 126.20 1shx s LYS 160 Ca -0.04 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 1shx s LYS 160 Cb -0.05 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1shx s LYS 160 CO -0.03 0.35 -0.13 0.08 -0.36 0.00 0.00 175.35 175.26 1shx s VAL 161 N 0.03 1.37 -0.26 4.02 1.01 0.13 -1.72 120.40 124.98 1shx s VAL 161 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1shx s VAL 161 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1shx s VAL 161 CO 0.04 0.42 0.12 0.12 0.00 0.00 0.00 175.10 175.80 1shx s PHE 162 N 1.36 3.15 -0.37 5.22 5.36 -0.35 0.11 117.98 132.46 1shx s PHE 162 Ca 0.01 -0.16 -0.22 0.00 -0.96 0.00 0.00 56.93 55.59 1shx s PHE 162 Cb -0.13 -2.30 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 1shx s PHE 162 CO -0.07 -0.25 0.71 0.08 -1.46 0.00 0.00 175.22 174.23 1shx s VAL 163 N 1.64 4.80 0.48 3.12 1.01 0.13 -1.13 120.40 130.44 1shx s VAL 163 Ca 0.07 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1shx s VAL 163 Cb -0.15 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1shx s VAL 163 CO 0.07 -0.42 1.30 -0.13 0.00 0.00 0.00 175.10 175.92 1shx s ARG 164 N 2.94 3.58 0.65 2.72 0.52 0.17 0.75 118.95 130.28 1shx s ARG 164 Ca 0.28 2.10 -0.18 0.00 -0.52 0.00 0.00 55.73 57.41 1shx s ARG 164 Cb -0.14 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 1shx s ARG 164 CO 0.17 -0.80 1.29 -1.25 0.02 0.00 0.00 175.30 174.73 1shx s PRO 165 N -2.63 2.55 0.11 3.54 0.04 -1.26 -3.79 135.00 133.56 1shx s PRO 165 Ca 0.64 2.04 -0.33 0.00 0.04 0.00 0.00 61.00 63.40 1shx s PRO 165 Cb -0.37 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 1shx s PRO 165 CO 0.45 -1.60 1.71 2.41 0.04 0.00 0.00 177.00 180.01 1shx n THR 166 N -1.93 0.19 0.00 1.26 -1.04 -1.26 -1.58 114.28 109.91 1shx n THR 166 Ca 0.16 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1shx n THR 166 Cb 0.48 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 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 4.56 0.00 0.00 8.00 6.94 -1.26 -4.84 115.26 128.66 1shx n ASN 167 Ca 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.79 1shx n ASN 167 Cb 0.31 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.01 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 1.01 0.00 -0.84 0.53 7.64 -0.62 -0.49 113.62 120.86 1shx n SER 168 Ca 0.00 -0.28 0.09 0.00 1.01 0.00 0.00 58.87 59.69 1shx n SER 168 Cb 0.00 -0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1shx n SER 168 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03