#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grn h GLU 4 N 0.00 0.00 -3.12 3.23 5.08 -2.06 -3.43 114.58 114.28 3grn h GLU 4 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3grn h GLU 4 Cb 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 3grn h GLU 4 CO 0.00 0.21 -0.55 0.21 -1.00 0.00 0.00 179.01 177.89 3grn s LYS 5 N -3.39 0.14 0.54 2.33 2.20 -1.26 -5.10 119.74 115.21 3grn s LYS 5 Ca 0.03 0.47 -0.17 0.00 -0.36 0.00 0.00 55.97 55.94 3grn s LYS 5 Cb 0.08 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.19 3grn s LYS 5 CO 0.66 -0.18 1.03 -1.25 -0.36 0.00 0.00 175.35 175.25 3grn s PRO 6 N 1.35 3.61 0.12 4.03 0.04 -1.26 -4.73 135.00 138.15 3grn s PRO 6 Ca -0.08 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 3grn s PRO 6 Cb -0.11 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 3grn s PRO 6 CO -0.07 -0.57 0.41 0.71 0.04 0.00 0.00 177.00 177.52 3grn s TYR 7 N -2.35 3.53 0.09 0.56 2.02 -1.26 -0.75 117.35 119.19 3grn s TYR 7 Ca 0.63 0.73 0.04 0.00 -0.37 0.00 0.00 57.07 58.10 3grn s TYR 7 Cb -0.15 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3grn s TYR 7 CO 0.30 0.46 -0.11 0.96 -1.57 0.00 0.00 175.55 175.60 3grn s ILE 8 N -1.53 0.96 -0.19 2.71 -4.36 -0.03 -4.92 121.20 113.85 3grn s ILE 8 Ca 0.37 -1.54 -0.09 0.00 -0.26 0.00 0.00 60.65 59.14 3grn s ILE 8 Cb -0.13 -1.25 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 3grn s ILE 8 CO 0.20 -0.48 0.09 -0.63 0.24 0.00 0.00 174.94 174.37 3grn s ILE 9 N -2.13 5.09 0.26 8.37 -1.09 -1.26 -1.19 121.20 129.25 3grn s ILE 9 Ca 0.03 0.07 0.09 0.00 -2.23 0.00 0.00 60.65 58.61 3grn s ILE 9 Cb -0.05 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3grn s ILE 9 CO 0.01 0.45 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.59 3grn s SER 10 N 0.33 3.08 0.04 3.58 0.01 -0.20 -1.29 113.70 119.24 3grn s SER 10 Ca 0.06 -1.08 0.05 0.00 1.31 0.00 0.00 55.95 56.29 3grn s SER 10 Cb -0.12 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 3grn s SER 10 CO -0.01 -0.14 -0.15 0.68 0.41 0.00 0.00 173.24 174.03 3grn s VAL 11 N -2.79 1.18 0.15 3.43 -7.23 -0.05 -1.43 120.40 113.66 3grn s VAL 11 Ca 0.28 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.49 3grn s VAL 11 Cb -0.01 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3grn s VAL 11 CO 0.12 0.04 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.52 3grn s TYR 12 N -0.82 1.36 -0.04 2.82 2.02 -0.42 -0.46 117.35 121.79 3grn s TYR 12 Ca 0.02 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.10 3grn s TYR 12 Cb -0.08 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3grn s TYR 12 CO 0.01 0.14 -0.20 0.00 -1.57 0.00 0.00 175.55 173.93 3grn s ALA 13 N -2.96 1.77 -0.44 3.71 0.00 -0.30 -0.57 121.76 122.97 3grn s ALA 13 Ca 0.15 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 3grn s ALA 13 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3grn s ALA 13 CO 0.02 0.35 0.57 -0.51 0.00 0.00 0.00 175.76 176.19 3grn s LEU 14 N -0.12 4.70 -0.13 0.00 1.43 0.18 -4.27 118.68 120.48 3grn s LEU 14 Ca -0.02 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3grn s LEU 14 Cb -0.12 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3grn s LEU 14 CO 0.02 -0.73 -0.20 -0.63 0.23 0.00 0.00 176.35 175.04 3grn s ILE 15 N 2.55 2.32 0.19 -0.59 1.01 -1.26 0.13 121.20 125.55 3grn s ILE 15 Ca 0.18 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 60.02 3grn s ILE 15 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3grn s ILE 15 CO 0.16 0.54 -0.19 -0.13 0.00 0.00 0.00 174.94 175.32 3grn s ARG 16 N 0.59 1.71 0.41 2.79 0.52 -0.57 -0.59 118.95 123.80 3grn s ARG 16 Ca -0.11 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.69 3grn s ARG 16 Cb -0.16 -1.96 0.08 0.00 0.52 0.00 0.00 34.95 33.43 3grn s ARG 16 CO 0.03 0.41 0.57 0.27 0.02 0.00 0.00 175.30 176.61 3grn n ASN 17 N 0.20 1.05 0.00 0.23 0.23 -0.45 -0.86 115.26 115.65 3grn n ASN 17 Ca -0.12 -1.82 0.07 0.00 -0.53 0.00 0.00 54.58 52.18 3grn n ASN 17 Cb 0.56 -0.34 0.36 0.00 -2.08 0.00 0.00 39.78 38.27 3grn n ASN 17 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3grn n GLU 18 N -2.00 0.15 0.00 -3.83 -0.58 -1.26 -0.75 120.64 112.38 3grn n GLU 18 Ca 0.10 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.14 3grn n GLU 18 Cb 0.37 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.90 3grn n GLU 18 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3grn n LYS 19 N -1.34 1.33 -1.00 3.49 5.02 -1.26 -4.96 118.16 119.43 3grn n LYS 19 Ca 0.06 -1.01 -0.00 0.00 -2.02 0.00 0.00 58.31 55.34 3grn n LYS 19 Cb 0.13 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.37 0.46 3.80 0.72 0.00 0.07 -5.04 105.19 106.57 3grn n GLY 20 Ca 0.12 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.78 4.42 0.07 1.61 2.02 -1.26 -4.75 118.70 120.04 3grn s GLU 21 Ca 0.00 1.12 -0.13 0.00 0.02 0.00 0.00 54.97 55.98 3grn s GLU 21 Cb 0.00 -2.78 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 3grn s GLU 21 CO 0.00 0.30 0.46 -0.06 0.02 0.00 0.00 175.26 175.98 3grn s PHE 22 N -1.62 3.65 -0.23 1.61 0.08 0.54 -1.35 117.98 120.66 3grn s PHE 22 Ca 0.48 0.96 -0.29 0.00 0.12 0.00 0.00 56.93 58.20 3grn s PHE 22 Cb -0.17 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 3grn s PHE 22 CO 0.22 0.53 1.06 -1.17 -0.10 0.00 0.00 175.22 175.77 3grn s LEU 23 N -1.63 4.09 0.13 -0.37 2.96 0.24 -0.49 118.68 123.61 3grn s LEU 23 Ca 0.31 1.37 0.09 0.00 -0.22 0.00 0.00 54.13 55.68 3grn s LEU 23 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3grn s LEU 23 CO 0.17 -0.70 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.58 3grn s LEU 24 N 3.27 2.78 -0.01 -0.68 1.43 0.08 -4.46 118.68 121.09 3grn s LEU 24 Ca 0.45 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3grn s LEU 24 Cb -0.15 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3grn s LEU 24 CO 0.08 0.16 -0.16 -0.76 0.23 0.00 0.00 176.35 175.90 3grn s LEU 25 N -2.29 2.04 -0.22 1.79 1.43 -0.10 -1.32 118.68 120.01 3grn s LEU 25 Ca 0.20 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3grn s LEU 25 Cb -0.10 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 3grn s LEU 25 CO 0.11 0.19 0.21 -0.60 0.23 0.00 0.00 176.35 176.50 3grn s ARG 26 N -0.42 4.13 0.53 1.70 3.52 0.11 0.05 118.95 128.58 3grn s ARG 26 Ca 0.06 -0.14 -0.20 0.00 -0.13 0.00 0.00 55.73 55.33 3grn s ARG 26 Cb -0.06 -3.51 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 3grn s ARG 26 CO -0.00 0.10 1.11 1.03 -0.81 0.00 0.00 175.30 176.73 3grn s ARG 27 N 0.92 3.44 0.65 5.12 0.52 0.65 -0.61 118.95 129.65 3grn s ARG 27 Ca 0.11 1.55 -0.14 0.00 -0.52 0.00 0.00 55.73 56.73 3grn s ARG 27 Cb -0.13 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 3grn s ARG 27 CO 0.04 -0.76 1.09 -1.54 0.02 0.00 0.00 175.30 174.14 3grn s SER 28 N -1.83 5.29 0.51 0.23 1.04 -0.41 -2.10 113.70 116.43 3grn s SER 28 Ca 0.71 1.89 0.29 0.00 0.48 0.00 0.00 55.95 59.32 3grn s SER 28 Cb -0.22 -2.54 1.32 0.00 0.10 0.00 0.00 66.02 64.68 3grn s SER 28 CO 0.26 -1.50 1.99 -0.33 0.98 0.00 0.00 173.24 174.64 3grn h GLU 29 N -0.02 0.00 -0.00 4.02 4.39 -1.91 -2.69 114.58 118.36 3grn h GLU 29 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 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 0.55 0.13 -0.00 0.09 -1.16 0.00 0.00 179.01 178.62 3grn n ASN 30 N -3.41 0.36 -4.77 1.42 5.03 -1.26 -4.76 115.26 107.87 3grn n ASN 30 Ca -0.01 -1.11 -0.40 0.00 0.87 0.00 0.00 54.58 53.94 3grn n ASN 30 Cb 0.31 -0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.03 3grn n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3grn s SER 31 N -2.01 6.88 0.31 6.41 0.01 -1.03 -4.96 113.70 119.31 3grn s SER 31 Ca 0.45 2.46 0.12 0.00 1.31 0.00 0.00 55.95 60.29 3grn s SER 31 Cb 0.22 -2.63 0.50 0.00 0.21 0.00 0.00 66.02 64.32 3grn s SER 31 CO 0.36 -0.44 1.69 -0.09 0.41 0.00 0.00 173.24 175.18 3grn h ARG 32 N 3.34 0.00 -6.01 12.44 2.43 -1.91 -3.38 114.38 121.29 3grn h ARG 32 Ca -0.48 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.07 3grn h ARG 32 Cb 1.22 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.47 3grn h ARG 32 CO 0.65 0.52 -0.86 0.95 -1.51 0.00 0.00 179.97 179.72 3grn s THR 33 N -3.80 1.68 -1.63 0.20 -4.23 -1.26 -4.82 115.64 101.78 3grn s THR 33 Ca -0.02 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 3grn s THR 33 Cb 0.13 -1.40 0.13 0.00 1.34 0.00 0.00 72.50 72.70 3grn s THR 33 CO 0.74 0.48 0.86 0.59 -0.54 0.00 0.00 174.62 176.75 3grn n ASN 34 N 2.63 -3.80 -4.69 3.99 5.03 -1.26 -4.85 115.26 112.31 3grn n ASN 34 Ca -0.16 -0.92 -0.44 0.00 0.87 0.00 0.00 54.58 53.93 3grn n ASN 34 Cb 0.53 -3.19 -0.03 0.00 -1.02 0.00 0.00 39.78 36.06 3grn n ASN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3grn n ALA 35 N -4.50 1.78 -0.48 5.41 0.00 -1.26 -2.03 120.51 119.43 3grn n ALA 35 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3grn n ALA 35 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 2.79 1.88 3.92 0.00 0.00 -0.89 -4.91 105.19 107.98 3grn n GLY 36 Ca 0.13 0.00 -0.27 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 -0.05 3.58 0.51 1.61 1.02 -0.86 -4.55 119.74 121.00 3grn s LYS 37 Ca 0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 55.97 55.67 3grn s LYS 37 Cb 0.00 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 3grn s LYS 37 CO 0.00 0.22 1.16 -1.58 -0.92 0.00 0.00 175.35 174.22 3grn s TRP 38 N -2.12 2.72 0.18 3.18 0.52 -1.22 -0.25 118.94 121.96 3grn s TRP 38 Ca 0.42 1.53 -0.16 0.00 0.02 0.00 0.00 56.10 57.91 3grn s TRP 38 Cb -0.10 -3.35 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 3grn s TRP 38 CO 0.31 -1.63 0.48 0.34 0.02 0.00 0.00 176.95 176.47 3grn s ASP 39 N -1.57 -0.22 0.38 2.95 -1.08 0.11 -4.45 116.67 112.78 3grn s ASP 39 Ca 0.69 -0.51 -0.02 0.00 -0.52 0.00 0.00 52.55 52.20 3grn s ASP 39 Cb -0.27 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 3grn s ASP 39 CO 0.31 -1.01 0.62 -0.76 0.52 0.00 0.00 175.17 174.85 3grn s LEU 40 N -2.88 3.91 0.32 -1.34 1.43 -1.26 -0.93 118.68 117.93 3grn s LEU 40 Ca 0.09 0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 53.54 3grn s LEU 40 Cb -0.00 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 3grn s LEU 40 CO -0.04 -0.36 1.49 -2.84 0.23 0.00 0.00 176.35 174.83 3grn s PRO 41 N -4.32 4.17 0.00 1.29 0.02 -1.26 -4.85 135.00 130.05 3grn s PRO 41 Ca 0.43 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.93 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 0.38 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 3grn n GLY 42 N 1.37 0.31 0.00 0.52 0.00 -1.26 -1.15 105.19 104.98 3grn n GLY 42 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.59 3.76 -0.02 0.00 0.39 -4.93 105.19 103.80 3grn n GLY 43 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3grn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grn s LYS 44 N -2.00 4.59 0.18 1.61 1.02 -1.26 -0.87 119.74 123.00 3grn s LYS 44 Ca 0.00 1.76 -0.28 0.00 0.02 0.00 0.00 55.97 57.47 3grn s LYS 44 Cb 0.00 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 3grn s LYS 44 CO 0.00 0.18 0.87 0.08 -0.92 0.00 0.00 175.35 175.56 3grn s VAL 45 N -1.22 4.30 0.57 3.17 1.01 -0.42 -4.87 120.40 122.94 3grn s VAL 45 Ca 0.46 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 64.20 3grn s VAL 45 Cb -0.31 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 3grn s VAL 45 CO 0.39 0.47 1.01 0.20 0.00 0.00 0.00 175.10 177.18 3grn s ASN 46 N -0.91 6.32 0.01 3.32 0.02 -1.26 -4.89 114.94 117.55 3grn s ASN 46 Ca 0.40 1.56 -0.36 0.00 -1.02 0.00 0.00 52.86 53.44 3grn s ASN 46 Cb -0.24 -2.50 -0.14 0.00 0.02 0.00 0.00 41.25 38.39 3grn s ASN 46 CO 0.29 -0.80 1.63 -2.65 0.02 0.00 0.00 177.10 175.59 3grn n PRO 47 N -2.06 1.77 -0.99 -0.60 -0.02 -1.26 -2.79 135.00 129.04 3grn n PRO 47 Ca 0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3grn n PRO 47 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.35 -2.78 -4.74 2.55 8.00 -1.26 -5.05 116.55 117.62 3grn n ASP 48 Ca 0.20 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.43 3grn n ASP 48 Cb 0.24 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 3grn n ASP 48 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3grn s GLU 49 N -0.17 2.70 0.68 -1.24 -1.05 -1.12 -5.11 118.70 113.40 3grn s GLU 49 Ca 0.00 -0.94 -0.13 0.00 -0.15 0.00 0.00 54.97 53.76 3grn s GLU 49 Cb 0.00 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.15 3grn s GLU 49 CO 0.00 0.48 1.08 -1.54 0.95 0.00 0.00 175.26 176.23 3grn s SER 50 N -2.93 5.21 0.19 0.83 1.04 -1.26 -4.79 113.70 111.98 3grn s SER 50 Ca 0.29 1.78 -0.12 0.00 0.48 0.00 0.00 55.95 58.38 3grn s SER 50 Cb -0.10 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.63 3grn s SER 50 CO 0.21 -1.56 1.82 -0.07 0.98 0.00 0.00 173.24 174.63 3grn h LEU 51 N -0.42 0.56 -1.05 2.42 3.38 -1.99 -1.19 115.31 117.02 3grn h LEU 51 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3grn h LEU 51 Cb 1.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3grn h LEU 51 CO 0.55 0.39 -0.07 0.11 0.09 0.00 0.00 178.44 179.51 3grn h LYS 52 N 0.68 0.59 -0.31 1.13 1.57 -1.99 0.03 116.57 118.27 3grn h LYS 52 Ca 0.23 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3grn h LYS 52 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3grn h LYS 52 CO -0.10 0.67 0.14 0.93 -0.57 0.00 0.00 179.45 180.51 3grn h GLU 53 N 0.55 0.45 -0.41 3.15 5.08 -1.88 -2.48 114.58 119.03 3grn h GLU 53 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3grn h GLU 53 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3grn h GLU 53 CO 0.02 0.43 0.26 0.78 -1.00 0.00 0.00 179.01 179.51 3grn h GLY 54 N 0.35 0.59 1.32 -3.84 0.00 -0.57 -1.85 103.07 99.08 3grn h GLY 54 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3grn h GLY 54 CO -0.01 0.23 -0.30 -0.24 0.00 0.00 0.00 176.54 176.22 3grn h VAL 55 N 0.55 1.28 -0.60 4.60 3.04 -0.97 -0.28 116.25 123.88 3grn h VAL 55 Ca 0.15 -1.45 -0.05 0.00 -1.01 0.00 0.00 66.70 64.35 3grn h VAL 55 Cb -0.02 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 3grn h VAL 55 CO -0.03 0.48 0.20 0.00 -1.01 0.00 0.00 177.57 177.20 3grn h ALA 56 N 1.01 0.79 -0.01 3.17 0.00 -1.36 -0.61 119.26 122.24 3grn h ALA 56 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3grn h ALA 56 Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3grn h ALA 56 CO 0.07 0.45 0.01 -0.09 0.00 0.00 0.00 179.25 179.68 3grn h ARG 57 N 0.85 0.01 -0.54 0.00 2.43 -1.09 -1.16 114.38 114.87 3grn h ARG 57 Ca 0.19 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3grn h ARG 57 Cb 0.28 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3grn h ARG 57 CO -0.01 0.03 0.12 0.93 -1.51 0.00 0.00 179.97 179.53 3grn h GLU 58 N -0.01 0.88 -0.45 0.20 4.39 -0.90 -1.38 114.58 117.31 3grn h GLU 58 Ca 0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3grn h GLU 58 Cb 0.02 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3grn h GLU 58 CO -0.00 0.84 0.20 0.28 -1.16 0.00 0.00 179.01 179.17 3grn h VAL 59 N 0.77 1.19 -0.08 3.13 2.07 -1.06 -1.91 116.25 120.36 3grn h VAL 59 Ca 0.17 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3grn h VAL 59 Cb 0.36 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3grn h VAL 59 CO 0.00 0.22 0.05 -0.25 0.02 0.00 0.00 177.57 177.61 3grn h TRP 60 N 0.58 0.12 -0.10 1.57 7.01 -1.03 -0.90 115.95 123.20 3grn h TRP 60 Ca 0.15 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3grn h TRP 60 Cb 0.15 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 3grn h TRP 60 CO -0.00 0.16 -0.10 0.93 -2.79 0.00 0.00 178.44 176.63 3grn h GLU 61 N 0.04 0.16 0.00 2.65 5.08 -1.20 0.14 114.58 121.45 3grn h GLU 61 Ca 0.03 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3grn h GLU 61 Cb 0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3grn h GLU 61 CO -0.00 0.27 -1.48 0.39 -1.00 0.00 0.00 179.01 177.19 3grn n GLU 62 N -4.33 0.63 0.00 2.33 1.02 -0.73 -4.47 120.64 115.09 3grn n GLU 62 Ca -0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3grn n GLU 62 Cb 0.23 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3grn n GLU 62 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3grn n THR 63 N -2.72 0.00 -0.77 2.62 -2.24 -0.35 -3.85 114.28 106.97 3grn n THR 63 Ca -0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3grn n THR 63 Cb 0.75 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.51 1.44 3.71 3.38 0.00 0.46 -0.91 105.19 113.78 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 -3.76 4.87 -0.31 -0.61 1.01 -1.26 -4.94 121.20 116.20 3grn s ILE 65 Ca 0.00 2.02 -0.16 0.00 0.00 0.00 0.00 60.65 62.51 3grn s ILE 65 Cb 0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 3grn s ILE 65 CO 0.00 0.15 0.39 -0.89 0.00 0.00 0.00 174.94 174.59 3grn s THR 66 N 1.10 5.15 0.04 2.92 2.01 -1.26 -3.20 115.64 122.40 3grn s THR 66 Ca 0.51 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.84 3grn s THR 66 Cb -0.21 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 3grn s THR 66 CO 0.26 -0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 174.09 3grn s MET 67 N 2.10 0.61 -0.29 4.92 0.00 -1.26 -5.11 119.30 120.27 3grn s MET 67 Ca 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 55.69 54.99 3grn s MET 67 Cb -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 34.83 34.17 3grn s MET 67 CO 0.11 0.10 0.18 0.54 0.00 0.00 0.00 175.02 175.95 3grn s VAL 68 N -1.19 5.10 0.27 5.16 0.11 -1.26 -4.80 120.40 123.79 3grn s VAL 68 Ca -0.06 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 3grn s VAL 68 Cb -0.09 -3.49 -0.11 0.00 -1.53 0.00 0.00 36.38 31.17 3grn s VAL 68 CO 0.01 0.18 1.50 -2.84 -3.33 0.00 0.00 175.10 170.61 3grn s PRO 69 N 1.72 4.21 0.00 1.54 0.02 -1.26 -4.89 135.00 136.34 3grn s PRO 69 Ca 0.06 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3grn s PRO 69 Cb -0.16 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3grn s PRO 69 CO 0.09 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3grn n GLY 70 N 2.10 1.55 3.81 0.52 0.00 0.46 -5.03 105.19 108.59 3grn n GLY 70 Ca 0.07 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 4.79 0.18 1.61 1.01 -1.26 -4.60 116.67 117.40 3grn s ASP 71 Ca 0.00 1.44 -0.30 0.00 0.71 0.00 0.00 52.55 54.39 3grn s ASP 71 Cb 0.00 -2.22 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 3grn s ASP 71 CO 0.00 -1.80 1.33 -0.63 0.21 0.00 0.00 175.17 174.28 3grn s ILE 72 N -3.10 3.23 -0.12 0.77 1.01 -1.26 -1.02 121.20 120.70 3grn s ILE 72 Ca 0.60 0.98 0.17 0.00 0.00 0.00 0.00 60.65 62.40 3grn s ILE 72 Cb -0.14 -3.63 -0.18 0.00 0.01 0.00 0.00 42.46 38.52 3grn s ILE 72 CO 0.55 0.13 0.67 0.00 0.00 0.00 0.00 174.94 176.29 3grn n ALA 73 N 2.90 1.95 0.00 9.38 0.00 0.17 -4.83 120.51 130.08 3grn n ALA 73 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3grn n ALA 73 Cb 0.43 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.44 -0.51 3.05 0.00 0.00 -1.12 -4.91 105.19 103.14 3grn n GLY 74 Ca -0.13 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 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 0.70 -0.03 1.61 -0.44 -1.26 -0.29 119.66 117.95 3grn s GLN 75 Ca 0.00 -0.51 0.01 0.00 -2.50 0.00 0.00 55.36 52.37 3grn s GLN 75 Cb 0.00 -0.65 0.01 0.00 -1.64 0.00 0.00 33.01 30.74 3grn s GLN 75 CO 0.00 0.16 -0.05 0.54 0.50 0.00 0.00 175.29 176.45 3grn s VAL 76 N -0.60 0.48 0.02 1.34 0.11 0.35 -4.94 120.40 117.17 3grn s VAL 76 Ca 0.00 -0.15 0.09 0.00 -2.93 0.00 0.00 61.98 58.99 3grn s VAL 76 Cb -0.06 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 3grn s VAL 76 CO 0.00 0.19 -0.26 0.20 -3.33 0.00 0.00 175.10 171.90 3grn s ASN 77 N 0.58 3.08 -0.03 3.54 0.01 -1.26 0.11 114.94 120.98 3grn s ASN 77 Ca -0.07 -0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 51.24 3grn s ASN 77 Cb -0.11 -0.30 0.08 0.00 0.41 0.00 0.00 41.25 41.33 3grn s ASN 77 CO -0.00 0.28 0.72 0.72 -1.51 0.00 0.00 177.10 177.30 3grn s PHE 78 N -0.73 -0.59 -0.13 2.20 -0.12 -0.55 -4.97 117.98 113.09 3grn s PHE 78 Ca 0.11 0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 57.79 3grn s PHE 78 Cb -0.10 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 3grn s PHE 78 CO 0.01 -0.61 0.19 -2.00 -0.05 0.00 0.00 175.22 172.76 3grn s GLU 79 N -1.68 3.80 0.44 1.99 2.12 -1.26 0.33 118.70 124.45 3grn s GLU 79 Ca -0.07 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.26 3grn s GLU 79 Cb -0.00 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3grn s GLU 79 CO 0.04 0.57 0.08 -0.51 -0.54 0.00 0.00 175.26 174.90 3grn s LEU 80 N -0.47 2.81 0.32 2.70 1.43 0.76 -4.97 118.68 121.26 3grn s LEU 80 Ca 0.14 -1.34 -0.00 0.00 -1.03 0.00 0.00 54.13 51.90 3grn s LEU 80 Cb -0.12 -1.04 0.51 0.00 0.03 0.00 0.00 46.19 45.57 3grn s LEU 80 CO 0.04 -0.60 1.96 0.00 0.23 0.00 0.00 176.35 177.97 3grn h THR 81 N 1.52 1.19 -0.01 5.49 1.03 -1.99 -3.20 112.91 116.95 3grn h THR 81 Ca -0.43 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 3grn h THR 81 Cb 1.26 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 3grn h THR 81 CO 0.75 0.21 -0.45 -1.84 -0.01 0.00 0.00 175.52 174.18 3grn n GLU 82 N -4.39 1.64 -3.45 0.00 0.28 -1.26 -5.01 120.64 108.44 3grn n GLU 82 Ca 0.07 -0.63 -0.11 0.00 -0.16 0.00 0.00 57.16 56.33 3grn n GLU 82 Cb 0.07 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 31.63 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 -2.10 1.10 -0.12 3.44 -2.85 -1.21 -4.44 119.74 113.56 3grn s LYS 83 Ca 0.12 -0.38 -0.06 0.00 -1.00 0.00 0.00 55.97 54.66 3grn s LYS 83 Cb 0.13 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.37 3grn s LYS 83 CO 0.48 -0.48 0.09 0.15 0.10 0.00 0.00 175.35 175.69 3grn s LYS 84 N -3.40 3.42 -0.16 1.78 1.02 0.07 -0.17 119.74 122.31 3grn s LYS 84 Ca 0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 55.97 55.72 3grn s LYS 84 Cb -0.01 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3grn s LYS 84 CO -0.11 0.65 -0.04 0.08 -0.92 0.00 0.00 175.35 175.02 3grn s VAL 85 N -0.70 3.89 -0.29 3.17 1.01 0.15 -0.85 120.40 126.79 3grn s VAL 85 Ca 0.12 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3grn s VAL 85 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3grn s VAL 85 CO 0.03 0.49 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 3grn s ILE 86 N 0.36 3.87 -0.07 2.22 1.01 -0.33 -1.48 121.20 126.78 3grn s ILE 86 Ca -0.04 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3grn s ILE 86 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3grn s ILE 86 CO 0.03 0.09 -0.25 0.00 0.00 0.00 0.00 174.94 174.81 3grn s ALA 87 N 1.48 2.16 -0.20 9.38 0.00 0.12 -1.04 121.76 133.66 3grn s ALA 87 Ca 0.02 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3grn s ALA 87 Cb -0.17 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3grn s ALA 87 CO 0.02 0.39 0.08 0.42 0.00 0.00 0.00 175.76 176.67 3grn s ILE 88 N -0.04 4.86 -0.20 0.00 -1.09 -0.51 -0.49 121.20 123.73 3grn s ILE 88 Ca -0.07 -0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 3grn s ILE 88 Cb -0.15 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3grn s ILE 88 CO 0.05 0.43 0.09 -0.69 -1.23 0.00 0.00 174.94 173.58 3grn s VAL 89 N 0.61 4.93 0.08 2.92 1.01 0.60 -1.30 120.40 129.24 3grn s VAL 89 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3grn s VAL 89 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3grn s VAL 89 CO 0.01 0.43 0.03 -0.36 0.00 0.00 0.00 175.10 175.21 3grn s PHE 90 N 0.57 3.07 -0.17 5.22 0.08 0.27 0.45 117.98 127.48 3grn s PHE 90 Ca 0.05 0.02 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 3grn s PHE 90 Cb -0.13 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 3grn s PHE 90 CO 0.01 0.50 0.81 0.34 -0.10 0.00 0.00 175.22 176.78 3grn s ASP 91 N -2.27 6.93 -0.00 1.36 -1.08 -0.19 -0.65 116.67 120.77 3grn s ASP 91 Ca 0.27 1.14 0.19 0.00 -0.52 0.00 0.00 52.55 53.63 3grn s ASP 91 Cb -0.12 -2.44 0.54 0.00 -1.46 0.00 0.00 42.92 39.43 3grn s ASP 91 CO 0.19 -0.39 1.45 0.61 0.52 0.00 0.00 175.17 177.55 3grn n GLY 92 N 3.49 2.60 7.00 2.66 0.00 0.12 -0.41 105.19 120.65 3grn n GLY 92 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.28 1.04 3.33 -0.02 0.00 -1.23 -4.80 105.19 104.79 3grn n GLY 93 Ca 0.20 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 2.47 0.06 1.61 2.02 -1.26 -1.51 117.35 120.73 3grn s TYR 94 Ca 0.00 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 3grn s TYR 94 Cb 0.00 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3grn s TYR 94 CO 0.00 -0.08 -0.08 0.54 -1.57 0.00 0.00 175.55 174.35 3grn s VAL 95 N -0.39 0.65 -0.37 0.71 0.11 -0.04 -4.96 120.40 116.10 3grn s VAL 95 Ca 0.03 -1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 57.78 3grn s VAL 95 Cb -0.12 -0.90 0.10 0.00 -1.53 0.00 0.00 36.38 33.93 3grn s VAL 95 CO 0.02 -0.47 0.13 -0.69 -3.33 0.00 0.00 175.10 170.76 3grn s VAL 96 N -1.85 2.96 -0.03 2.04 1.01 -1.26 -4.24 120.40 119.02 3grn s VAL 96 Ca -0.04 -2.04 -0.09 0.00 0.00 0.00 0.00 61.98 59.81 3grn s VAL 96 Cb -0.07 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3grn s VAL 96 CO -0.00 -0.58 0.20 0.00 0.00 0.00 0.00 175.10 174.72 3grn s ALA 97 N 1.09 -0.50 -0.45 5.51 0.00 -1.26 -5.10 121.76 121.04 3grn s ALA 97 Ca 0.07 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 3grn s ALA 97 Cb -0.21 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3grn s ALA 97 CO -0.05 -0.18 0.56 -0.51 0.00 0.00 0.00 175.76 175.58 3grn s ASP 98 N -0.80 6.25 0.28 0.00 1.01 -1.26 -5.05 116.67 117.10 3grn s ASP 98 Ca -0.09 -0.60 -0.30 0.00 0.71 0.00 0.00 52.55 52.27 3grn s ASP 98 Cb -0.05 -2.28 -0.11 0.00 1.01 0.00 0.00 42.92 41.50 3grn s ASP 98 CO 0.02 -0.73 1.55 -0.69 0.21 0.00 0.00 175.17 175.52 3grn s VAL 99 N 2.52 2.25 -0.25 -1.27 1.01 -1.26 -4.94 120.40 118.45 3grn s VAL 99 Ca 0.17 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3grn s VAL 99 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.15 3grn s VAL 99 CO 0.15 0.03 -0.02 -0.54 0.00 0.00 0.00 175.10 174.73 3grn s LYS 100 N -0.45 1.37 0.58 2.72 1.02 -0.09 -5.04 119.74 119.85 3grn s LYS 100 Ca 0.62 -0.99 -0.09 0.00 0.02 0.00 0.00 55.97 55.53 3grn s LYS 100 Cb -0.46 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3grn s LYS 100 CO 0.46 -0.68 0.95 -0.51 -0.92 0.00 0.00 175.35 174.66 3grn s LEU 101 N 1.45 3.33 0.00 3.17 1.43 -1.26 -3.57 118.68 123.22 3grn s LEU 101 Ca -0.02 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 3grn s LEU 101 Cb -0.18 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 41.89 3grn s LEU 101 CO -0.09 -0.83 0.30 -1.54 0.23 0.00 0.00 176.35 174.42 3grn n SER 102 N -2.61 2.05 0.30 2.29 3.41 -1.25 -4.97 113.62 112.84 3grn n SER 102 Ca 0.04 -2.21 0.18 0.00 -0.26 0.00 0.00 58.87 56.63 3grn n SER 102 Cb 0.55 -0.06 0.94 0.00 -0.26 0.00 0.00 64.21 65.38 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 0.54 0.00 0.00 7.33 -0.00 -1.96 -2.39 116.97 120.48 3grn h TYR 103 Ca -0.22 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.48 3grn h TYR 103 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.55 3grn h TYR 103 CO 0.00 0.00 -0.13 0.93 -0.00 0.00 0.00 178.16 178.96 3grn h GLU 104 N 0.00 0.00 -4.31 0.10 5.08 -1.96 -3.43 114.58 110.05 3grn h GLU 104 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 3grn h GLU 104 Cb 0.45 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.48 3grn h GLU 104 CO -0.00 0.13 -0.72 -1.01 -1.00 0.00 0.00 179.01 176.41 3grn s HIS 105 N -3.60 0.49 -0.20 4.33 3.76 -0.90 -1.29 115.29 117.89 3grn s HIS 105 Ca 0.01 -0.50 0.14 0.00 -0.15 0.00 0.00 55.06 54.57 3grn s HIS 105 Cb 0.09 -0.31 -0.22 0.00 1.11 0.00 0.00 32.58 33.25 3grn s HIS 105 CO 0.61 -0.12 0.02 -0.89 -0.85 0.00 0.00 174.74 173.51 3grn n ILE 106 N 1.57 1.32 -3.86 0.60 5.41 0.22 -4.56 119.36 120.07 3grn n ILE 106 Ca -0.23 -0.77 -0.09 0.00 1.00 0.00 0.00 62.75 62.66 3grn n ILE 106 Cb 0.55 -0.64 -0.05 0.00 -0.71 0.00 0.00 39.64 38.80 3grn n ILE 106 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3grn s GLU 107 N -2.47 1.44 0.12 0.38 -1.05 -1.24 -5.01 118.70 110.86 3grn s GLU 107 Ca -0.13 -1.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.67 3grn s GLU 107 Cb 0.06 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 3grn s GLU 107 CO 0.75 -0.60 -0.06 1.52 0.95 0.00 0.00 175.26 177.81 3grn s TYR 108 N -3.93 1.02 -0.09 4.83 -0.85 -1.26 -0.71 117.35 116.35 3grn s TYR 108 Ca 0.14 -0.90 -0.15 0.00 -0.52 0.00 0.00 57.07 55.65 3grn s TYR 108 Cb -0.01 -0.57 0.03 0.00 0.38 0.00 0.00 41.96 41.80 3grn s TYR 108 CO 0.02 -0.11 0.37 0.45 -1.52 0.00 0.00 175.55 174.76 3grn s SER 109 N -3.09 -0.34 -0.28 -0.18 0.15 -0.43 -5.00 113.70 104.54 3grn s SER 109 Ca 0.15 0.52 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 3grn s SER 109 Cb 0.05 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 3grn s SER 109 CO -0.02 -0.26 0.31 0.26 1.20 0.00 0.00 173.24 174.72 3grn s TRP 110 N -0.40 3.23 -0.08 3.44 0.52 -1.26 -0.74 118.94 123.65 3grn s TRP 110 Ca -0.05 0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.38 3grn s TRP 110 Cb -0.03 -2.51 0.01 0.00 -1.15 0.00 0.00 33.47 29.78 3grn s TRP 110 CO 0.02 -0.22 -0.16 0.08 0.02 0.00 0.00 176.95 176.70 3grn s VAL 111 N 1.96 1.42 0.69 4.03 1.01 0.36 -4.82 120.40 125.05 3grn s VAL 111 Ca 0.12 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3grn s VAL 111 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 3grn s VAL 111 CO 0.10 0.42 1.14 -0.94 0.00 0.00 0.00 175.10 175.82 3grn s SER 112 N 0.59 4.75 0.22 3.32 1.04 -1.26 -0.34 113.70 122.02 3grn s SER 112 Ca -0.15 2.10 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 3grn s SER 112 Cb -0.16 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 63.71 3grn s SER 112 CO 0.05 -1.88 1.77 0.25 0.98 0.00 0.00 173.24 174.41 3grn h LEU 113 N -0.16 0.39 -0.74 2.42 5.85 -1.98 -0.99 115.31 120.10 3grn h LEU 113 Ca -0.47 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3grn h LEU 113 Cb 1.26 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3grn h LEU 113 CO 0.52 0.23 0.36 -0.33 -0.34 0.00 0.00 178.44 178.88 3grn h GLU 114 N 0.54 1.05 -0.34 1.25 4.39 -1.99 -1.55 114.58 117.94 3grn h GLU 114 Ca 0.34 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 3grn h GLU 114 Cb 0.37 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3grn h GLU 114 CO -0.28 0.82 -0.15 0.87 -1.16 0.00 0.00 179.01 179.10 3grn h LYS 115 N 1.03 0.61 -0.04 2.33 1.79 -1.80 -2.25 116.57 118.24 3grn h LYS 115 Ca 0.25 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3grn h LYS 115 Cb 0.10 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3grn h LYS 115 CO -0.03 0.74 0.03 0.82 -1.08 0.00 0.00 179.45 179.92 3grn h ILE 116 N 0.55 1.03 0.00 1.86 2.04 -0.75 -2.46 117.51 119.79 3grn h ILE 116 Ca 0.09 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3grn h ILE 116 Cb 0.58 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3grn h ILE 116 CO 0.04 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.39 3grn n LEU 117 N -5.05 0.00 -2.88 1.44 4.77 -0.62 -1.92 117.00 112.73 3grn n LEU 117 Ca -0.06 0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 3grn n LEU 117 Cb 0.04 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 3grn n LEU 117 CO 0.33 -0.20 0.09 0.61 -1.33 0.00 0.00 177.39 176.89 3grn n GLY 118 N 0.29 5.23 0.00 -0.72 0.00 -0.86 -4.99 105.19 104.14 3grn n GLY 118 Ca 0.04 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.21 0.00 0.00 1.61 1.56 -0.81 -4.87 117.12 114.41 3grn n MET 119 Ca 0.31 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 3grn n MET 119 Cb 0.50 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.87 3grn n MET 119 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3grn n GLU 120 N 0.00 0.00 -0.00 2.12 0.28 -1.26 -4.92 120.64 116.86 3grn n GLU 120 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 3grn n GLU 120 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 3grn n GLU 120 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3grn n THR 121 N 0.00 0.00 -2.50 3.84 -2.24 -1.26 -4.77 114.28 107.35 3grn n THR 121 Ca 0.00 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3grn n THR 121 Cb 0.00 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 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 -3.01 4.13 0.56 3.22 2.96 -1.26 -3.37 118.68 121.91 3grn s LEU 122 Ca 0.07 1.55 -0.20 0.00 -0.22 0.00 0.00 54.13 55.33 3grn s LEU 122 Cb 0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3grn s LEU 122 CO 0.82 -0.76 1.12 -2.65 -1.32 0.00 0.00 176.35 173.56 3grn n PRO 123 N 6.58 1.22 -0.35 0.98 -0.02 -1.26 -4.63 135.00 137.51 3grn n PRO 123 Ca 0.13 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3grn n PRO 123 Cb 0.45 -2.31 0.35 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.93 1.72 -0.09 3.55 0.00 -1.95 -0.03 119.26 123.39 3grn h ALA 124 Ca -0.49 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3grn h ALA 124 Cb 1.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3grn h ALA 124 CO 0.54 -0.13 -0.29 0.10 0.00 0.00 0.00 179.25 179.46 3grn h TYR 125 N 0.70 0.19 -0.14 0.00 -0.00 -1.93 -0.33 116.97 115.46 3grn h TYR 125 Ca 0.60 -0.04 -0.12 0.00 0.00 0.00 0.00 58.73 59.17 3grn h TYR 125 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.71 3grn h TYR 125 CO -0.00 0.45 -0.39 0.74 -0.00 0.00 0.00 178.16 178.95 3grn h PHE 126 N 0.16 0.66 -0.35 0.10 0.04 -1.35 -1.83 116.94 114.37 3grn h PHE 126 Ca 0.02 -0.26 0.07 0.00 2.80 0.00 0.00 57.97 60.60 3grn h PHE 126 Cb 0.60 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 3grn h PHE 126 CO 0.01 1.01 -0.09 -0.09 -0.60 0.00 0.00 178.31 178.55 3grn h ARG 127 N 0.13 -0.00 -0.53 1.51 2.43 -1.20 -0.53 114.38 116.18 3grn h ARG 127 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3grn h ARG 127 Cb 1.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3grn h ARG 127 CO 0.08 -0.00 0.13 -0.44 -1.51 0.00 0.00 179.97 178.23 3grn h ASP 128 N -0.00 0.76 -0.33 -3.80 3.32 -1.09 -1.65 116.42 113.62 3grn h ASP 128 Ca 0.17 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3grn h ASP 128 Cb 0.26 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3grn h ASP 128 CO -0.37 0.75 0.19 0.15 -1.72 0.00 0.00 179.24 178.25 3grn h PHE 129 N 0.79 0.44 -0.20 4.55 3.57 -0.77 -1.77 116.94 123.55 3grn h PHE 129 Ca 0.17 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 3grn h PHE 129 Cb 0.29 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3grn h PHE 129 CO 0.02 0.33 -0.17 0.74 -2.23 0.00 0.00 178.31 177.00 3grn h PHE 130 N 0.42 0.37 -0.15 0.41 0.04 -0.66 0.14 116.94 117.51 3grn h PHE 130 Ca 0.12 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3grn h PHE 130 Cb 0.03 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3grn h PHE 130 CO -0.04 0.51 0.06 1.49 -0.60 0.00 0.00 178.31 179.73 3grn h GLU 131 N 0.32 0.22 -0.01 1.51 4.57 -1.15 -1.63 114.58 118.41 3grn h GLU 131 Ca 0.06 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3grn h GLU 131 Cb 0.49 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3grn h GLU 131 CO 0.03 0.31 -0.09 0.00 -1.18 0.00 0.00 179.01 178.08 3grn h ARG 132 N 0.09 -0.14 -0.78 1.92 3.08 -1.00 -2.52 114.38 115.03 3grn h ARG 132 Ca 0.05 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3grn h ARG 132 Cb 0.17 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3grn h ARG 132 CO -0.00 -0.09 0.47 0.35 -1.07 0.00 0.00 179.97 179.63 3grn h PHE 133 N -0.14 0.88 -0.65 3.04 3.57 -0.66 -0.18 116.94 122.79 3grn h PHE 133 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3grn h PHE 133 Cb 0.19 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3grn h PHE 133 CO -0.16 0.45 0.15 0.22 -2.23 0.00 0.00 178.31 176.74 3grn h ASP 134 N 0.88 0.97 -0.27 0.41 3.58 -1.24 -1.71 116.42 119.04 3grn h ASP 134 Ca 0.34 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 3grn h ASP 134 Cb 0.14 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3grn h ASP 134 CO -0.16 0.94 -0.08 -0.09 -2.88 0.00 0.00 179.24 176.97 3grn h ARG 135 N 0.98 0.54 0.00 0.28 2.43 -0.85 -2.26 114.38 115.49 3grn h ARG 135 Ca 0.21 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3grn h ARG 135 Cb 0.36 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3grn h ARG 135 CO 0.00 0.75 -0.13 0.93 -1.51 0.00 0.00 179.97 180.01 3grn h GLU 136 N 0.29 0.00 0.09 0.20 5.08 -0.93 -2.04 114.58 117.26 3grn h GLU 136 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3grn h GLU 136 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3grn h GLU 136 CO 0.03 0.13 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.22 3grn h ASN 137 N 0.00 -0.10 0.00 1.42 2.35 -1.07 -3.42 115.58 114.76 3grn h ASN 137 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3grn h ASN 137 Cb 0.40 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3grn h ASN 137 CO 0.02 0.54 -0.02 0.11 -1.65 0.00 0.00 177.43 176.43 3grn h LYS 138 N -0.86 0.00 -0.03 0.81 1.57 -1.33 -3.51 116.57 113.21 3grn h LYS 138 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3grn h LYS 138 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3grn h LYS 138 CO 0.02 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.26