#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grn s LEU 3 N 0.00 4.46 0.37 1.04 1.43 -1.26 -4.94 118.68 119.79 3grn s LEU 3 Ca 0.00 2.16 0.11 0.00 -1.03 0.00 0.00 54.13 55.38 3grn s LEU 3 Cb 0.00 -3.60 0.72 0.00 0.03 0.00 0.00 46.19 43.34 3grn s LEU 3 CO 0.00 -0.31 1.84 -0.33 0.23 0.00 0.00 176.35 177.77 3grn h GLU 4 N 5.26 0.07 -3.87 1.70 5.08 -2.06 -3.42 114.58 117.35 3grn h GLU 4 Ca -0.44 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.50 3grn h GLU 4 Cb 1.21 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 3grn h GLU 4 CO 0.74 0.39 -0.76 0.21 -1.00 0.00 0.00 179.01 178.58 3grn s LYS 5 N -4.32 0.62 0.62 2.33 2.20 -1.26 -5.09 119.74 114.84 3grn s LYS 5 Ca -0.04 -0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.41 3grn s LYS 5 Cb 0.15 -0.75 -0.02 0.00 -1.51 0.00 0.00 37.83 35.70 3grn s LYS 5 CO 0.73 -0.14 1.08 -1.25 -0.36 0.00 0.00 175.35 175.41 3grn s PRO 6 N 1.14 3.12 0.07 4.03 0.04 -1.26 -4.72 135.00 137.42 3grn s PRO 6 Ca -0.08 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.17 3grn s PRO 6 Cb -0.14 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3grn s PRO 6 CO -0.01 -0.98 0.34 0.71 0.04 0.00 0.00 177.00 177.10 3grn s TYR 7 N -2.41 3.55 0.11 0.56 2.02 -1.26 -0.65 117.35 119.28 3grn s TYR 7 Ca 0.65 0.63 0.05 0.00 -0.37 0.00 0.00 57.07 58.03 3grn s TYR 7 Cb -0.18 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 3grn s TYR 7 CO 0.39 0.53 -0.12 0.96 -1.57 0.00 0.00 175.55 175.74 3grn s ILE 8 N -1.44 1.16 -0.18 2.71 -4.36 0.02 -4.91 121.20 114.20 3grn s ILE 8 Ca 0.33 -1.71 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 3grn s ILE 8 Cb -0.13 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3grn s ILE 8 CO 0.20 -0.50 0.09 -0.63 0.24 0.00 0.00 174.94 174.33 3grn s ILE 9 N -2.36 5.06 0.24 8.37 -1.09 -1.26 -1.02 121.20 129.14 3grn s ILE 9 Ca 0.08 0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.64 3grn s ILE 9 Cb -0.03 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 3grn s ILE 9 CO 0.02 0.48 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.65 3grn s SER 10 N 0.14 2.70 -0.00 3.58 0.01 -0.16 -1.34 113.70 118.63 3grn s SER 10 Ca 0.07 -1.08 0.04 0.00 1.31 0.00 0.00 55.95 56.28 3grn s SER 10 Cb -0.12 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 3grn s SER 10 CO -0.00 -0.22 -0.12 0.68 0.41 0.00 0.00 173.24 173.99 3grn s VAL 11 N -2.96 0.97 0.17 3.43 -7.23 0.17 -1.42 120.40 113.53 3grn s VAL 11 Ca 0.25 -0.58 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 3grn s VAL 11 Cb 0.01 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 3grn s VAL 11 CO 0.09 0.24 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.63 3grn s TYR 12 N -0.36 1.76 -0.05 2.82 2.02 -0.23 -0.43 117.35 122.87 3grn s TYR 12 Ca 0.04 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 3grn s TYR 12 Cb -0.05 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 3grn s TYR 12 CO -0.00 0.32 -0.23 0.00 -1.57 0.00 0.00 175.55 174.06 3grn s ALA 13 N -2.18 2.24 -0.46 3.71 0.00 -0.06 -0.43 121.76 124.57 3grn s ALA 13 Ca 0.16 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 3grn s ALA 13 Cb -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3grn s ALA 13 CO 0.06 0.44 0.55 -0.51 0.00 0.00 0.00 175.76 176.30 3grn s LEU 14 N -0.27 4.90 -0.15 0.00 1.43 0.50 -4.27 118.68 120.82 3grn s LEU 14 Ca -0.00 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3grn s LEU 14 Cb -0.13 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3grn s LEU 14 CO 0.03 -0.75 -0.20 -0.63 0.23 0.00 0.00 176.35 175.03 3grn s ILE 15 N 2.42 2.25 0.18 -0.59 1.01 -1.26 -0.04 121.20 125.16 3grn s ILE 15 Ca 0.14 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3grn s ILE 15 Cb -0.18 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3grn s ILE 15 CO 0.13 0.54 -0.04 -0.13 0.00 0.00 0.00 174.94 175.44 3grn s ARG 16 N 0.84 2.26 0.33 2.79 0.52 -0.40 -0.83 118.95 124.46 3grn s ARG 16 Ca -0.06 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 3grn s ARG 16 Cb -0.15 -2.27 0.06 0.00 0.52 0.00 0.00 34.95 33.11 3grn s ARG 16 CO -0.02 0.44 0.45 0.27 0.02 0.00 0.00 175.30 176.47 3grn n ASN 17 N -0.07 0.71 0.03 0.23 0.23 -0.81 -0.28 115.26 115.30 3grn n ASN 17 Ca -0.10 -1.57 0.20 0.00 -0.53 0.00 0.00 54.58 52.57 3grn n ASN 17 Cb 0.55 -0.29 0.71 0.00 -2.08 0.00 0.00 39.78 38.68 3grn n ASN 17 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3grn h GLU 18 N 0.00 0.00 -0.01 -3.83 3.07 -1.92 -0.12 114.58 111.77 3grn h GLU 18 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3grn h GLU 18 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3grn h GLU 18 CO 0.17 0.00 -0.24 1.63 -1.40 0.00 0.00 179.01 179.17 3grn n LYS 19 N -4.26 0.63 -0.91 2.33 5.02 -1.26 -4.95 118.16 114.76 3grn n LYS 19 Ca 0.08 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3grn n LYS 19 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3grn n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3grn n GLY 20 N 1.35 0.53 3.80 0.72 0.00 -0.06 -5.05 105.19 106.48 3grn n GLY 20 Ca 0.12 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3grn n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grn s GLU 21 N -0.33 4.44 0.08 1.61 2.02 -1.26 -4.78 118.70 120.48 3grn s GLU 21 Ca 0.00 1.21 -0.15 0.00 0.02 0.00 0.00 54.97 56.05 3grn s GLU 21 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.55 3grn s GLU 21 CO 0.00 0.20 0.49 -0.06 0.02 0.00 0.00 175.26 175.91 3grn s PHE 22 N -1.78 3.68 -0.27 1.61 0.08 0.17 -1.93 117.98 119.54 3grn s PHE 22 Ca 0.53 1.04 -0.29 0.00 0.12 0.00 0.00 56.93 58.33 3grn s PHE 22 Cb -0.15 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 39.96 3grn s PHE 22 CO 0.20 0.53 1.18 -1.17 -0.10 0.00 0.00 175.22 175.86 3grn s LEU 23 N -1.54 3.98 0.13 -0.37 2.96 -0.01 -0.39 118.68 123.44 3grn s LEU 23 Ca 0.31 1.26 0.08 0.00 -0.22 0.00 0.00 54.13 55.57 3grn s LEU 23 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3grn s LEU 23 CO 0.17 -0.90 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.41 3grn s LEU 24 N 3.80 2.87 -0.01 -0.68 1.43 0.32 -4.46 118.68 121.95 3grn s LEU 24 Ca 0.50 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3grn s LEU 24 Cb -0.16 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3grn s LEU 24 CO 0.16 0.16 -0.15 -0.76 0.23 0.00 0.00 176.35 175.99 3grn s LEU 25 N -2.36 2.04 -0.20 1.79 1.43 -0.21 -1.40 118.68 119.77 3grn s LEU 25 Ca 0.21 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 3grn s LEU 25 Cb -0.10 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 3grn s LEU 25 CO 0.13 0.18 0.22 -0.60 0.23 0.00 0.00 176.35 176.50 3grn s ARG 26 N -0.39 4.18 0.46 1.70 3.52 0.17 -0.03 118.95 128.56 3grn s ARG 26 Ca 0.06 -0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.35 3grn s ARG 26 Cb -0.06 -3.47 -0.08 0.00 -1.56 0.00 0.00 34.95 29.78 3grn s ARG 26 CO -0.00 0.17 1.09 1.03 -0.81 0.00 0.00 175.30 176.78 3grn s ARG 27 N 0.70 3.82 0.74 5.12 0.52 0.17 -0.57 118.95 129.46 3grn s ARG 27 Ca 0.12 1.56 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 3grn s ARG 27 Cb -0.13 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.09 3grn s ARG 27 CO 0.03 -0.45 1.09 -1.54 0.02 0.00 0.00 175.30 174.45 3grn s SER 28 N -1.65 4.69 0.50 0.23 1.04 -0.12 -2.33 113.70 116.05 3grn s SER 28 Ca 0.64 1.86 0.29 0.00 0.48 0.00 0.00 55.95 59.22 3grn s SER 28 Cb -0.23 -2.53 1.08 0.00 0.10 0.00 0.00 66.02 64.45 3grn s SER 28 CO 0.27 -1.91 1.88 -0.33 0.98 0.00 0.00 173.24 174.13 3grn h GLU 29 N -0.83 0.00 -0.20 4.02 4.39 -1.91 -2.78 114.58 117.28 3grn h GLU 29 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3grn h GLU 29 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3grn h GLU 29 CO 0.52 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.54 3grn n ASN 30 N -3.19 1.66 -4.74 1.42 4.13 -1.26 -4.75 115.26 108.52 3grn n ASN 30 Ca 0.01 -1.76 -0.41 0.00 1.68 0.00 0.00 54.58 54.10 3grn n ASN 30 Cb 0.38 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 3grn n ASN 30 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3grn s SER 31 N -1.46 6.95 0.25 6.41 0.01 -1.14 -4.95 113.70 119.77 3grn s SER 31 Ca 0.30 2.39 -0.05 0.00 1.31 0.00 0.00 55.95 59.90 3grn s SER 31 Cb 0.16 -2.62 0.28 0.00 0.21 0.00 0.00 66.02 64.06 3grn s SER 31 CO 0.24 -0.46 1.89 -0.09 0.41 0.00 0.00 173.24 175.23 3grn h ARG 32 N 4.99 1.21 -6.41 12.44 2.43 -1.92 -3.37 114.38 123.75 3grn h ARG 32 Ca -0.45 -0.12 -0.69 0.00 -0.81 0.00 0.00 59.98 57.90 3grn h ARG 32 Cb 1.22 -0.25 -0.24 0.00 -0.42 0.00 0.00 29.97 30.28 3grn h ARG 32 CO 0.74 0.86 -0.79 0.95 -1.51 0.00 0.00 179.97 180.22 3grn s THR 33 N -5.85 2.86 -1.63 0.20 -4.23 -1.26 -4.78 115.64 100.94 3grn s THR 33 Ca -0.12 -0.86 -0.15 0.00 -1.18 0.00 0.00 61.69 59.37 3grn s THR 33 Cb 0.17 -2.12 0.13 0.00 1.34 0.00 0.00 72.50 72.02 3grn s THR 33 CO 0.82 0.55 0.79 0.59 -0.54 0.00 0.00 174.62 176.83 3grn n ASN 34 N 2.20 -3.31 -4.72 3.99 3.02 -1.26 -4.86 115.26 110.32 3grn n ASN 34 Ca -0.17 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.00 3grn n ASN 34 Cb 0.52 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.62 3grn n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3grn n ALA 35 N -4.45 2.51 -0.27 5.41 0.00 -1.26 -2.55 120.51 119.90 3grn n ALA 35 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3grn n ALA 35 Cb 0.52 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3grn n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grn n GLY 36 N 3.34 2.14 3.91 0.00 0.00 -0.99 -4.91 105.19 108.69 3grn n GLY 36 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3grn n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grn s LYS 37 N -0.11 3.59 0.50 1.61 1.02 -1.06 -4.52 119.74 120.77 3grn s LYS 37 Ca 0.00 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.70 3grn s LYS 37 Cb 0.00 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 3grn s LYS 37 CO 0.00 0.20 1.21 -1.58 -0.92 0.00 0.00 175.35 174.25 3grn s TRP 38 N -2.14 2.69 0.31 3.18 0.52 -1.11 -0.65 118.94 121.73 3grn s TRP 38 Ca 0.43 1.50 -0.15 0.00 0.02 0.00 0.00 56.10 57.89 3grn s TRP 38 Cb -0.10 -3.47 0.02 0.00 -1.15 0.00 0.00 33.47 28.77 3grn s TRP 38 CO 0.32 -1.87 0.66 0.16 0.02 0.00 0.00 176.95 176.23 3grn s ASP 39 N -1.33 -0.01 0.33 2.95 -4.77 0.96 -4.45 116.67 110.36 3grn s ASP 39 Ca 0.67 -0.94 -0.01 0.00 -3.30 0.00 0.00 52.55 48.96 3grn s ASP 39 Cb -0.31 0.73 -0.04 0.00 -1.09 0.00 0.00 42.92 42.21 3grn s ASP 39 CO 0.37 -1.40 0.56 -0.76 0.70 0.00 0.00 175.17 174.63 3grn s LEU 40 N -3.02 4.01 0.30 2.11 1.43 -1.26 -1.04 118.68 121.20 3grn s LEU 40 Ca 0.17 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3grn s LEU 40 Cb -0.04 -3.40 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 3grn s LEU 40 CO 0.10 -0.27 1.58 -2.84 0.23 0.00 0.00 176.35 175.15 3grn s PRO 41 N -4.07 4.13 0.00 1.29 0.02 -1.26 -4.85 135.00 130.25 3grn s PRO 41 Ca 0.41 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3grn s PRO 41 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3grn s PRO 41 CO 0.35 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3grn n GLY 42 N 2.05 0.10 0.00 0.52 0.00 -1.26 -0.88 105.19 105.72 3grn n GLY 42 Ca 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3grn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grn n GLY 43 N 0.00 -0.67 3.75 -0.02 0.00 0.43 -4.95 105.19 103.73 3grn n GLY 43 Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3grn n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3grn s LYS 44 N -1.61 4.43 0.17 1.61 2.20 -1.26 -0.66 119.74 124.62 3grn s LYS 44 Ca 0.00 2.06 -0.29 0.00 -0.36 0.00 0.00 55.97 57.38 3grn s LYS 44 Cb 0.00 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 33.10 3grn s LYS 44 CO 0.00 -0.14 0.93 0.08 -0.36 0.00 0.00 175.35 175.86 3grn s VAL 45 N -0.59 4.31 0.61 4.02 1.01 -0.45 -4.87 120.40 124.44 3grn s VAL 45 Ca 0.51 2.03 -0.10 0.00 0.00 0.00 0.00 61.98 64.42 3grn s VAL 45 Cb -0.37 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 3grn s VAL 45 CO 0.44 0.42 1.01 0.20 0.00 0.00 0.00 175.10 177.17 3grn s ASN 46 N -0.62 6.21 0.17 3.32 0.01 -1.26 -4.89 114.94 117.89 3grn s ASN 46 Ca 0.43 1.36 -0.34 0.00 -0.71 0.00 0.00 52.86 53.61 3grn s ASN 46 Cb -0.24 -2.43 -0.14 0.00 0.41 0.00 0.00 41.25 38.84 3grn s ASN 46 CO 0.30 -0.85 1.45 -2.65 -1.51 0.00 0.00 177.10 173.84 3grn n PRO 47 N -2.71 1.83 -1.04 -0.60 -0.02 -1.26 -2.39 135.00 128.82 3grn n PRO 47 Ca 0.05 0.66 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 3grn n PRO 47 Cb 0.54 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3grn n PRO 47 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3grn n ASP 48 N 2.78 -4.15 -4.88 2.55 8.00 -1.26 -5.02 116.55 114.57 3grn n ASP 48 Ca 0.16 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 3grn n ASP 48 Cb 0.27 -1.76 -0.06 0.00 -0.02 0.00 0.00 41.12 39.55 3grn n ASP 48 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3grn s GLU 49 N -1.09 3.46 0.65 -1.24 2.12 -1.00 -5.10 118.70 116.50 3grn s GLU 49 Ca 0.00 -0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 3grn s GLU 49 Cb 0.00 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 3grn s GLU 49 CO 0.00 0.75 1.06 -1.54 -0.54 0.00 0.00 175.26 174.99 3grn s SER 50 N -1.26 5.53 0.15 -1.70 1.04 -1.26 -4.80 113.70 111.40 3grn s SER 50 Ca 0.19 1.72 -0.14 0.00 0.48 0.00 0.00 55.95 58.19 3grn s SER 50 Cb -0.12 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.52 3grn s SER 50 CO 0.08 -1.34 1.73 -0.07 0.98 0.00 0.00 173.24 174.62 3grn h LEU 51 N -0.20 0.65 -1.04 2.42 3.38 -1.99 -0.81 115.31 117.74 3grn h LEU 51 Ca -0.45 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 3grn h LEU 51 Cb 1.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3grn h LEU 51 CO 0.57 0.61 -0.30 0.11 0.09 0.00 0.00 178.44 179.52 3grn h LYS 52 N 0.65 0.32 -0.33 1.13 1.57 -2.00 -0.07 116.57 117.84 3grn h LYS 52 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3grn h LYS 52 Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3grn h LYS 52 CO -0.02 0.59 -0.01 0.93 -0.57 0.00 0.00 179.45 180.37 3grn h GLU 53 N 0.28 0.58 -0.38 3.15 5.08 -1.89 -2.59 114.58 118.81 3grn h GLU 53 Ca 0.04 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3grn h GLU 53 Cb 0.67 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3grn h GLU 53 CO 0.05 0.72 0.15 0.78 -1.00 0.00 0.00 179.01 179.71 3grn h GLY 54 N 0.38 0.49 1.34 -3.84 0.00 -0.51 -1.66 103.07 99.28 3grn h GLY 54 Ca 0.09 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3grn h GLY 54 CO 0.02 0.05 -0.53 -0.24 0.00 0.00 0.00 176.54 175.84 3grn h VAL 55 N 0.32 1.30 -0.68 4.60 3.04 -1.00 -0.66 116.25 123.17 3grn h VAL 55 Ca 0.17 -1.75 -0.04 0.00 -1.01 0.00 0.00 66.70 64.07 3grn h VAL 55 Cb 0.12 1.68 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 3grn h VAL 55 CO -0.15 0.56 0.25 0.00 -1.01 0.00 0.00 177.57 177.21 3grn h ALA 56 N 0.87 0.88 -0.04 3.17 0.00 -1.37 -0.73 119.26 122.05 3grn h ALA 56 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3grn h ALA 56 Cb 1.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3grn h ALA 56 CO 0.11 0.52 0.02 -0.09 0.00 0.00 0.00 179.25 179.81 3grn h ARG 57 N 0.97 0.05 -0.60 0.00 2.43 -1.11 -0.90 114.38 115.21 3grn h ARG 57 Ca 0.22 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3grn h ARG 57 Cb 0.24 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3grn h ARG 57 CO -0.01 0.10 0.27 0.93 -1.51 0.00 0.00 179.97 179.74 3grn h GLU 58 N -0.01 0.88 -0.32 0.20 4.39 -0.97 -1.62 114.58 117.12 3grn h GLU 58 Ca 0.01 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3grn h GLU 58 Cb 0.06 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3grn h GLU 58 CO -0.00 0.72 0.11 0.28 -1.16 0.00 0.00 179.01 178.96 3grn h VAL 59 N 0.82 1.20 -0.26 3.13 2.07 -1.04 -1.59 116.25 120.58 3grn h VAL 59 Ca 0.20 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3grn h VAL 59 Cb 0.15 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3grn h VAL 59 CO -0.02 0.22 0.16 -0.25 0.02 0.00 0.00 177.57 177.69 3grn h TRP 60 N 0.37 0.30 0.00 1.57 7.01 -1.01 -1.28 115.95 122.90 3grn h TRP 60 Ca 0.10 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 3grn h TRP 60 Cb 0.23 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3grn h TRP 60 CO 0.00 0.18 -0.43 0.93 -2.79 0.00 0.00 178.44 176.34 3grn h GLU 61 N 0.33 0.00 0.00 2.65 5.08 -1.20 0.82 114.58 122.25 3grn h GLU 61 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3grn h GLU 61 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3grn h GLU 61 CO -0.04 0.43 -1.37 0.93 -1.00 0.00 0.00 179.01 177.96 3grn h GLU 62 N 0.00 0.00 0.00 2.33 5.08 -1.10 -3.42 114.58 117.47 3grn h GLU 62 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3grn h GLU 62 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3grn h GLU 62 CO 0.06 0.32 -0.09 0.25 -1.00 0.00 0.00 179.01 178.54 3grn n THR 63 N -2.92 0.00 -0.42 1.13 -2.24 -0.50 -3.82 114.28 105.51 3grn n THR 63 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3grn n THR 63 Cb 0.85 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3grn n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3grn n GLY 64 N 0.44 1.62 3.70 3.38 0.00 0.27 -1.16 105.19 113.44 3grn n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3grn n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grn s ILE 65 N -3.22 4.86 -0.34 -0.61 1.01 -1.26 -4.94 121.20 116.70 3grn s ILE 65 Ca 0.00 2.00 -0.18 0.00 0.00 0.00 0.00 60.65 62.47 3grn s ILE 65 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 3grn s ILE 65 CO 0.00 0.11 0.51 -0.89 0.00 0.00 0.00 174.94 174.67 3grn s THR 66 N 1.35 5.03 0.02 2.92 2.01 -1.26 -3.13 115.64 122.58 3grn s THR 66 Ca 0.49 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.95 3grn s THR 66 Cb -0.20 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3grn s THR 66 CO 0.24 -0.17 -0.21 0.00 -0.69 0.00 0.00 174.62 173.78 3grn s MET 67 N 2.37 1.50 -0.30 4.92 0.00 -1.26 -5.11 119.30 121.42 3grn s MET 67 Ca 0.19 -0.87 -0.11 0.00 0.00 0.00 0.00 55.69 54.90 3grn s MET 67 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 34.83 33.09 3grn s MET 67 CO 0.13 0.41 0.18 0.54 0.00 0.00 0.00 175.02 176.28 3grn s VAL 68 N -0.68 4.98 0.30 5.16 0.11 -1.26 -4.76 120.40 124.24 3grn s VAL 68 Ca 0.08 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 3grn s VAL 68 Cb -0.09 -3.46 -0.11 0.00 -1.53 0.00 0.00 36.38 31.19 3grn s VAL 68 CO 0.01 0.14 1.48 -2.84 -3.33 0.00 0.00 175.10 170.55 3grn s PRO 69 N 1.69 4.20 0.00 1.54 0.02 -1.26 -4.91 135.00 136.28 3grn s PRO 69 Ca 0.06 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3grn s PRO 69 Cb -0.17 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3grn s PRO 69 CO 0.09 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3grn n GLY 70 N 1.61 1.48 3.79 0.52 0.00 -0.04 -5.03 105.19 107.52 3grn n GLY 70 Ca 0.05 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3grn n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3grn s ASP 71 N -1.00 4.81 0.17 1.61 1.01 -1.26 -4.59 116.67 117.42 3grn s ASP 71 Ca 0.00 1.66 -0.31 0.00 0.71 0.00 0.00 52.55 54.61 3grn s ASP 71 Cb 0.00 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 3grn s ASP 71 CO 0.00 -1.82 1.35 -0.63 0.21 0.00 0.00 175.17 174.28 3grn s ILE 72 N -2.99 3.21 -0.14 0.77 1.01 -1.26 -0.94 121.20 120.86 3grn s ILE 72 Ca 0.60 0.94 0.20 0.00 0.00 0.00 0.00 60.65 62.39 3grn s ILE 72 Cb -0.16 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.54 3grn s ILE 72 CO 0.55 0.11 0.70 0.00 0.00 0.00 0.00 174.94 176.31 3grn n ALA 73 N 3.16 2.31 0.00 9.38 0.00 0.17 -4.83 120.51 130.70 3grn n ALA 73 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3grn n ALA 73 Cb 0.42 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3grn n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grn n GLY 74 N 1.34 -0.00 2.99 0.00 0.00 -1.12 -4.91 105.19 103.48 3grn n GLY 74 Ca -0.08 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 3grn n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3grn s GLN 75 N -2.00 0.28 -0.02 1.61 0.74 -1.26 -0.65 119.66 118.35 3grn s GLN 75 Ca 0.00 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.07 3grn s GLN 75 Cb 0.00 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.22 3grn s GLN 75 CO 0.00 -0.05 -0.07 0.54 -0.55 0.00 0.00 175.29 175.16 3grn s VAL 76 N -1.00 0.62 0.02 1.34 0.11 -0.05 -4.94 120.40 116.51 3grn s VAL 76 Ca -0.11 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 3grn s VAL 76 Cb -0.07 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3grn s VAL 76 CO -0.00 0.20 -0.18 0.54 -3.33 0.00 0.00 175.10 172.33 3grn s ASN 77 N 0.15 2.12 -0.00 3.54 2.20 -1.26 -0.12 114.94 121.57 3grn s ASN 77 Ca -0.02 -0.42 -0.24 0.00 -0.94 0.00 0.00 52.86 51.24 3grn s ASN 77 Cb -0.07 -0.20 0.05 0.00 -2.00 0.00 0.00 41.25 39.04 3grn s ASN 77 CO 0.00 0.16 0.54 0.72 -2.94 0.00 0.00 177.10 175.58 3grn s PHE 78 N -0.63 -0.47 -0.13 1.54 -0.12 -0.68 -4.99 117.98 112.51 3grn s PHE 78 Ca 0.06 0.70 -0.11 0.00 -0.05 0.00 0.00 56.93 57.53 3grn s PHE 78 Cb -0.08 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 3grn s PHE 78 CO 0.01 -0.58 0.24 -2.00 -0.05 0.00 0.00 175.22 172.84 3grn s GLU 79 N -1.71 3.93 0.46 1.99 2.12 -1.26 0.04 118.70 124.27 3grn s GLU 79 Ca -0.09 0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.33 3grn s GLU 79 Cb -0.01 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 3grn s GLU 79 CO 0.04 0.50 0.20 -0.51 -0.54 0.00 0.00 175.26 174.95 3grn s LEU 80 N -0.29 2.86 0.27 2.70 1.43 0.67 -4.98 118.68 121.34 3grn s LEU 80 Ca 0.16 -1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 3grn s LEU 80 Cb -0.13 -1.24 0.37 0.00 0.03 0.00 0.00 46.19 45.21 3grn s LEU 80 CO 0.05 -0.74 1.93 0.00 0.23 0.00 0.00 176.35 177.81 3grn h THR 81 N 1.24 1.20 -0.01 5.49 1.03 -2.00 -3.24 112.91 116.61 3grn h THR 81 Ca -0.41 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 3grn h THR 81 Cb 1.28 -0.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.21 3grn h THR 81 CO 0.68 0.22 -0.09 -1.84 -0.01 0.00 0.00 175.52 174.48 3grn n GLU 82 N -4.42 1.16 -3.45 0.00 0.28 -1.26 -5.02 120.64 107.93 3grn n GLU 82 Ca 0.12 -0.98 -0.12 0.00 -0.16 0.00 0.00 57.16 56.02 3grn n GLU 82 Cb 0.06 -1.18 -0.02 0.00 1.43 0.00 0.00 31.44 31.73 3grn n GLU 82 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3grn s LYS 83 N -1.15 1.26 -0.14 3.44 -2.85 -1.22 -4.42 119.74 114.65 3grn s LYS 83 Ca 0.12 -0.50 -0.07 0.00 -1.00 0.00 0.00 55.97 54.52 3grn s LYS 83 Cb 0.09 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 3grn s LYS 83 CO 0.20 -0.54 0.09 0.15 0.10 0.00 0.00 175.35 175.35 3grn s LYS 84 N -3.76 3.60 -0.17 1.78 1.02 0.18 -0.24 119.74 122.15 3grn s LYS 84 Ca 0.01 -0.25 -0.06 0.00 0.02 0.00 0.00 55.97 55.69 3grn s LYS 84 Cb -0.01 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3grn s LYS 84 CO -0.13 0.57 0.03 0.08 -0.92 0.00 0.00 175.35 174.98 3grn s VAL 85 N -0.45 4.48 -0.26 3.17 1.01 0.11 -0.80 120.40 127.66 3grn s VAL 85 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3grn s VAL 85 Cb -0.12 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3grn s VAL 85 CO 0.02 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.95 3grn s ILE 86 N 0.37 3.37 -0.06 2.22 1.01 -0.19 -1.68 121.20 126.25 3grn s ILE 86 Ca 0.01 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.92 3grn s ILE 86 Cb -0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3grn s ILE 86 CO 0.01 0.20 -0.24 0.00 0.00 0.00 0.00 174.94 174.92 3grn s ALA 87 N 1.42 2.07 -0.18 9.38 0.00 0.83 -0.99 121.76 134.29 3grn s ALA 87 Ca 0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3grn s ALA 87 Cb -0.16 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3grn s ALA 87 CO -0.02 0.39 0.05 0.42 0.00 0.00 0.00 175.76 176.60 3grn s ILE 88 N -0.11 4.66 -0.19 0.00 -1.09 -0.50 -0.87 121.20 123.10 3grn s ILE 88 Ca -0.04 -0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.23 3grn s ILE 88 Cb -0.14 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 3grn s ILE 88 CO 0.04 0.46 0.05 -0.69 -1.23 0.00 0.00 174.94 173.57 3grn s VAL 89 N 0.40 4.51 0.04 2.92 1.01 0.18 -1.07 120.40 128.39 3grn s VAL 89 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3grn s VAL 89 Cb -0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3grn s VAL 89 CO 0.01 0.43 -0.01 -0.36 0.00 0.00 0.00 175.10 175.17 3grn s PHE 90 N 0.68 3.02 -0.24 5.22 0.08 0.42 0.43 117.98 127.59 3grn s PHE 90 Ca 0.02 0.02 -0.21 0.00 0.12 0.00 0.00 56.93 56.88 3grn s PHE 90 Cb -0.13 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3grn s PHE 90 CO 0.02 0.46 0.68 0.34 -0.10 0.00 0.00 175.22 176.62 3grn s ASP 91 N -1.90 6.66 0.00 1.36 -1.08 -0.11 -0.37 116.67 121.22 3grn s ASP 91 Ca 0.22 0.82 0.24 0.00 -0.52 0.00 0.00 52.55 53.31 3grn s ASP 91 Cb -0.12 -2.36 0.19 0.00 -1.46 0.00 0.00 42.92 39.17 3grn s ASP 91 CO 0.14 -0.38 1.26 0.61 0.52 0.00 0.00 175.17 177.31 3grn n GLY 92 N 3.98 0.98 6.66 2.66 0.00 0.94 -0.86 105.19 119.55 3grn n GLY 92 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3grn n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grn n GLY 93 N 1.35 -0.31 3.19 -0.02 0.00 -1.21 -4.81 105.19 103.38 3grn n GLY 93 Ca 0.14 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3grn n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3grn s TYR 94 N 0.00 2.54 0.16 1.61 2.02 -1.26 -1.28 117.35 121.14 3grn s TYR 94 Ca 0.00 -1.11 0.06 0.00 -0.37 0.00 0.00 57.07 55.65 3grn s TYR 94 Cb 0.00 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3grn s TYR 94 CO 0.00 -0.47 -0.14 0.14 -1.57 0.00 0.00 175.55 173.51 3grn s VAL 95 N 0.50 1.46 -0.33 0.71 -7.23 0.62 -4.96 120.40 111.17 3grn s VAL 95 Ca -0.15 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 3grn s VAL 95 Cb -0.17 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.06 3grn s VAL 95 CO 0.05 -0.55 0.04 -0.69 -0.31 0.00 0.00 175.10 173.65 3grn s VAL 96 N -2.68 2.55 -0.05 1.32 1.01 -1.26 -3.97 120.40 117.31 3grn s VAL 96 Ca 0.16 -2.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.01 3grn s VAL 96 Cb -0.02 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3grn s VAL 96 CO 0.04 -0.45 0.23 0.00 0.00 0.00 0.00 175.10 174.92 3grn s ALA 97 N 1.03 -0.56 -0.49 5.51 0.00 -1.26 -5.10 121.76 120.89 3grn s ALA 97 Ca 0.05 0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 3grn s ALA 97 Cb -0.20 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.79 3grn s ALA 97 CO -0.06 -0.17 0.70 -0.51 0.00 0.00 0.00 175.76 175.72 3grn s ASP 98 N -0.54 6.28 0.26 0.00 1.01 -1.26 -5.04 116.67 117.38 3grn s ASP 98 Ca -0.06 -0.62 -0.30 0.00 0.71 0.00 0.00 52.55 52.28 3grn s ASP 98 Cb -0.04 -2.33 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 3grn s ASP 98 CO 0.01 -0.92 1.58 -0.69 0.21 0.00 0.00 175.17 175.35 3grn s VAL 99 N 2.96 2.24 -0.19 -1.27 1.01 -1.26 -4.96 120.40 118.93 3grn s VAL 99 Ca 0.21 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3grn s VAL 99 Cb -0.16 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3grn s VAL 99 CO 0.16 0.03 -0.05 -0.54 0.00 0.00 0.00 175.10 174.69 3grn s LYS 100 N -0.09 1.50 0.54 2.72 1.02 -0.31 -5.04 119.74 120.07 3grn s LYS 100 Ca 0.65 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 3grn s LYS 100 Cb -0.46 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3grn s LYS 100 CO 0.43 -0.48 0.84 -0.51 -0.92 0.00 0.00 175.35 174.71 3grn s LEU 101 N 1.57 3.43 0.00 3.17 1.43 -1.26 -3.57 118.68 123.45 3grn s LEU 101 Ca -0.01 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3grn s LEU 101 Cb -0.16 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.40 3grn s LEU 101 CO -0.07 -0.83 0.21 -1.54 0.23 0.00 0.00 176.35 174.35 3grn n SER 102 N -2.42 2.93 0.24 2.29 3.41 -1.25 -4.98 113.62 113.85 3grn n SER 102 Ca 0.03 -2.90 0.17 0.00 -0.26 0.00 0.00 58.87 55.91 3grn n SER 102 Cb 0.56 0.13 0.78 0.00 -0.26 0.00 0.00 64.21 65.42 3grn n SER 102 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3grn h TYR 103 N 0.91 0.00 0.00 7.33 -0.00 -1.96 -2.19 116.97 121.06 3grn h TYR 103 Ca -0.35 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.33 3grn h TYR 103 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 3grn h TYR 103 CO 0.00 0.00 -0.20 0.93 -0.00 0.00 0.00 178.16 178.89 3grn h GLU 104 N 0.00 0.00 -4.17 0.10 5.08 -1.96 -3.42 114.58 110.21 3grn h GLU 104 Ca 0.08 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 3grn h GLU 104 Cb 0.85 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.87 3grn h GLU 104 CO -0.00 0.20 -0.72 -1.01 -1.00 0.00 0.00 179.01 176.47 3grn s HIS 105 N -3.61 0.37 -0.09 4.33 3.76 -0.82 -0.94 115.29 118.28 3grn s HIS 105 Ca 0.01 -0.38 0.17 0.00 -0.15 0.00 0.00 55.06 54.70 3grn s HIS 105 Cb 0.10 -0.24 -0.25 0.00 1.11 0.00 0.00 32.58 33.30 3grn s HIS 105 CO 0.63 -0.10 0.24 0.44 -0.85 0.00 0.00 174.74 175.09 3grn n ILE 106 N 1.95 0.54 -3.90 0.60 -5.35 0.27 -4.50 119.36 108.98 3grn n ILE 106 Ca -0.20 -0.55 -0.09 0.00 -0.27 0.00 0.00 62.75 61.63 3grn n ILE 106 Cb 0.56 -0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.20 3grn n ILE 106 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3grn s GLU 107 N -2.86 1.55 0.17 6.28 -1.05 -1.25 -5.01 118.70 116.53 3grn s GLU 107 Ca -0.07 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 3grn s GLU 107 Cb 0.08 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.25 3grn s GLU 107 CO 0.72 -0.66 0.05 1.52 0.95 0.00 0.00 175.26 177.84 3grn s TYR 108 N -3.95 1.11 -0.23 4.83 -0.85 -1.26 -0.66 117.35 116.34 3grn s TYR 108 Ca 0.16 -1.17 -0.25 0.00 -0.52 0.00 0.00 57.07 55.29 3grn s TYR 108 Cb -0.02 -0.62 0.07 0.00 0.38 0.00 0.00 41.96 41.77 3grn s TYR 108 CO 0.05 -0.40 0.68 0.45 -1.52 0.00 0.00 175.55 174.81 3grn s SER 109 N -3.14 -0.70 -0.45 -0.18 0.15 -0.49 -4.99 113.70 103.90 3grn s SER 109 Ca 0.28 1.27 -0.18 0.00 0.70 0.00 0.00 55.95 58.02 3grn s SER 109 Cb 0.07 1.27 0.04 0.00 -1.71 0.00 0.00 66.02 65.69 3grn s SER 109 CO 0.05 -0.29 0.49 0.26 1.20 0.00 0.00 173.24 174.96 3grn s TRP 110 N 0.14 3.14 -0.10 3.44 0.52 -1.26 -0.52 118.94 124.30 3grn s TRP 110 Ca -0.02 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.65 3grn s TRP 110 Cb -0.04 -3.13 -0.01 0.00 -1.15 0.00 0.00 33.47 29.14 3grn s TRP 110 CO 0.02 -0.81 -0.18 0.08 0.02 0.00 0.00 176.95 176.08 3grn s VAL 111 N 2.23 2.66 0.66 4.03 1.01 0.48 -4.78 120.40 126.69 3grn s VAL 111 Ca 0.12 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3grn s VAL 111 Cb -0.18 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3grn s VAL 111 CO 0.12 0.55 1.08 -0.94 0.00 0.00 0.00 175.10 175.91 3grn s SER 112 N 0.08 5.32 0.22 3.32 1.04 -1.26 0.45 113.70 122.87 3grn s SER 112 Ca -0.08 1.82 -0.08 0.00 0.48 0.00 0.00 55.95 58.09 3grn s SER 112 Cb -0.15 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.75 3grn s SER 112 CO 0.05 -1.49 1.76 0.25 0.98 0.00 0.00 173.24 174.80 3grn h LEU 113 N -0.16 0.34 -0.43 2.42 5.85 -1.98 -0.91 115.31 120.44 3grn h LEU 113 Ca -0.46 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3grn h LEU 113 Cb 1.23 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 3grn h LEU 113 CO 0.55 0.20 0.01 -0.08 -0.34 0.00 0.00 178.44 178.78 3grn h GLU 114 N 0.50 0.12 -0.14 1.25 4.81 -1.93 0.32 114.58 119.52 3grn h GLU 114 Ca 0.33 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 3grn h GLU 114 Cb 0.37 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3grn h GLU 114 CO -0.29 0.08 -0.49 0.87 -0.73 0.00 0.00 179.01 178.46 3grn h LYS 115 N 0.13 0.36 -0.39 1.92 1.79 -1.81 -2.80 116.57 115.76 3grn h LYS 115 Ca 0.21 -0.21 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 3grn h LYS 115 Cb 0.30 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3grn h LYS 115 CO -0.34 0.77 0.19 0.82 -1.08 0.00 0.00 179.45 179.81 3grn h ILE 116 N 0.29 0.97 -0.65 1.86 2.04 -0.60 0.14 117.51 121.56 3grn h ILE 116 Ca 0.01 -0.13 -0.71 0.00 1.00 0.00 0.00 64.86 65.03 3grn h ILE 116 Cb 0.96 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3grn h ILE 116 CO 0.08 0.07 3.01 0.18 0.00 0.00 0.00 178.15 181.49 3grn n LEU 117 N -4.93 8.19 0.00 1.44 4.77 0.05 -2.66 117.00 123.86 3grn n LEU 117 Ca 0.02 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 3grn n LEU 117 Cb 0.10 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 3grn n LEU 117 CO 0.30 1.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.94 3grn n GLY 118 N 2.67 0.00 0.51 -0.72 0.00 -1.04 -4.89 105.19 101.71 3grn n GLY 118 Ca 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 3grn n GLY 118 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3grn n MET 119 N 0.00 -0.17 0.00 1.61 0.00 0.48 -5.01 117.12 114.03 3grn n MET 119 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.43 3grn n MET 119 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 33.22 33.04 3grn n MET 119 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3grn n GLU 120 N -1.37 0.00 -0.20 2.12 2.13 -1.26 -4.91 120.64 117.15 3grn n GLU 120 Ca 0.02 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.91 3grn n GLU 120 Cb 0.08 -0.36 0.20 0.00 0.27 0.00 0.00 31.44 31.63 3grn n GLU 120 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3grn n THR 121 N -1.13 0.53 -3.30 6.31 -2.24 -1.26 -4.66 114.28 108.53 3grn n THR 121 Ca 0.00 -0.55 -0.39 0.00 -2.27 0.00 0.00 64.05 60.84 3grn n THR 121 Cb 0.00 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 3grn n THR 121 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3grn s LEU 122 N -1.07 4.06 0.57 3.22 2.96 -1.26 -2.77 118.68 124.39 3grn s LEU 122 Ca 0.29 0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 54.46 3grn s LEU 122 Cb 0.15 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 3grn s LEU 122 CO 0.20 -0.23 0.88 -2.65 -1.32 0.00 0.00 176.35 173.24 3grn n PRO 123 N 5.33 0.88 -0.29 0.98 -0.02 -1.26 -4.57 135.00 136.04 3grn n PRO 123 Ca -0.06 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3grn n PRO 123 Cb 0.50 -2.05 0.32 0.00 -0.02 0.00 0.00 33.50 32.25 3grn n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3grn h ALA 124 N 0.59 1.69 -0.30 3.55 0.00 -1.97 -0.43 119.26 122.39 3grn h ALA 124 Ca -0.47 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3grn h ALA 124 Cb 1.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3grn h ALA 124 CO 0.51 0.09 -0.06 0.10 0.00 0.00 0.00 179.25 179.88 3grn h TYR 125 N 0.83 0.51 -0.11 0.00 -0.00 -1.94 -0.13 116.97 116.13 3grn h TYR 125 Ca 0.44 -0.06 -0.19 0.00 0.00 0.00 0.00 58.73 58.93 3grn h TYR 125 Cb 0.55 -0.14 0.01 0.00 0.00 0.00 0.00 36.73 37.14 3grn h TYR 125 CO -0.00 0.55 -0.66 0.74 -0.00 0.00 0.00 178.16 178.78 3grn h PHE 126 N 0.46 0.88 -0.22 0.10 0.04 -1.43 -1.73 116.94 115.03 3grn h PHE 126 Ca 0.09 -0.40 0.06 0.00 2.80 0.00 0.00 57.97 60.52 3grn h PHE 126 Cb 0.40 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.35 3grn h PHE 126 CO 0.01 1.21 -0.26 -0.09 -0.60 0.00 0.00 178.31 178.58 3grn h ARG 127 N 0.30 -0.27 -0.71 1.51 2.43 -1.05 -0.63 114.38 115.95 3grn h ARG 127 Ca -0.05 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3grn h ARG 127 Cb 1.30 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.86 3grn h ARG 127 CO 0.14 -0.18 0.41 -0.44 -1.51 0.00 0.00 179.97 178.39 3grn h ASP 128 N -0.28 0.64 -0.26 -3.80 3.32 -1.06 -1.33 116.42 113.64 3grn h ASP 128 Ca 0.13 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3grn h ASP 128 Cb 0.48 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3grn h ASP 128 CO -0.38 0.42 -0.00 0.15 -1.72 0.00 0.00 179.24 177.70 3grn h PHE 129 N 0.77 -0.02 -0.19 4.55 3.57 -0.51 -0.87 116.94 124.24 3grn h PHE 129 Ca 0.31 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 3grn h PHE 129 Cb 0.15 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3grn h PHE 129 CO -0.06 -0.04 -0.20 0.74 -2.23 0.00 0.00 178.31 176.51 3grn h PHE 130 N 0.08 0.35 -0.58 0.41 0.04 -0.74 0.25 116.94 116.75 3grn h PHE 130 Ca 0.12 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3grn h PHE 130 Cb 0.16 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3grn h PHE 130 CO -0.21 0.51 0.06 1.49 -0.60 0.00 0.00 178.31 179.57 3grn h GLU 131 N 0.30 0.98 -0.16 1.51 4.22 -0.73 -1.33 114.58 119.37 3grn h GLU 131 Ca 0.05 -0.28 -0.07 0.00 0.08 0.00 0.00 59.36 59.14 3grn h GLU 131 Cb 0.53 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3grn h GLU 131 CO 0.04 0.95 -0.17 -0.09 -2.18 0.00 0.00 179.01 177.55 3grn h ARG 132 N 0.87 0.39 -0.66 1.92 2.43 -0.76 -2.90 114.38 115.69 3grn h ARG 132 Ca 0.17 -0.21 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3grn h ARG 132 Cb 0.47 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 3grn h ARG 132 CO 0.02 0.78 0.34 0.35 -1.51 0.00 0.00 179.97 179.94 3grn h PHE 133 N 0.03 0.61 -0.55 2.20 3.57 -0.46 -1.47 116.94 120.88 3grn h PHE 133 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3grn h PHE 133 Cb 0.71 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3grn h PHE 133 CO 0.08 0.26 0.36 0.22 -2.23 0.00 0.00 178.31 177.00 3grn h ASP 134 N 0.61 0.60 0.74 0.41 3.58 -1.25 -1.77 116.42 119.34 3grn h ASP 134 Ca 0.31 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.63 3grn h ASP 134 Cb 0.26 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3grn h ASP 134 CO -0.22 0.43 -0.57 0.08 -2.88 0.00 0.00 179.24 176.09 3grn h ARG 135 N 0.72 0.00 0.00 0.28 0.11 -1.26 -1.52 114.38 112.71 3grn h ARG 135 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 3grn h ARG 135 Cb -0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.03 3grn h ARG 135 CO -0.06 0.57 0.00 0.93 0.10 0.00 0.00 179.97 181.50 3grn h GLU 136 N 0.00 0.00 0.00 0.08 5.08 -0.96 -2.80 114.58 115.98 3grn h GLU 136 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3grn h GLU 136 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3grn h GLU 136 CO 0.07 0.00 -0.29 -0.91 -1.00 0.00 0.00 179.01 176.88 3grn h ASN 137 N 0.00 0.00 0.00 1.42 2.35 -1.20 -3.44 115.58 114.70 3grn h ASN 137 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3grn h ASN 137 Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3grn h ASN 137 CO 0.00 0.64 -0.03 0.11 -1.65 0.00 0.00 177.43 176.49 3grn h LYS 138 N -0.99 0.00 0.00 0.81 1.57 -1.41 -3.52 116.57 113.03 3grn h LYS 138 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3grn h LYS 138 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3grn h LYS 138 CO 0.00 0.56 0.00 1.63 -0.57 0.00 0.00 179.45 181.07