#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1o h PRO 11 N 0.00 0.02 -3.70 0.00 0.13 -1.81 -3.44 132.00 123.20 1g1o h PRO 11 Ca 0.00 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.83 1g1o h PRO 11 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 1g1o h PRO 11 CO 0.00 0.56 -0.73 -1.17 -0.23 0.00 0.00 178.00 176.42 1g1o s LEU 12 N -7.80 1.47 -0.07 1.56 2.96 -1.23 -0.87 118.68 114.69 1g1o s LEU 12 Ca -0.02 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1g1o s LEU 12 Cb 0.13 -0.10 0.04 0.00 0.50 0.00 0.00 46.19 46.76 1g1o s LEU 12 CO 0.75 -0.07 0.06 -0.04 -1.32 0.00 0.00 176.35 175.74 1g1o s MET 13 N 0.62 -0.01 -0.36 1.98 -1.94 -0.21 -2.11 119.30 117.28 1g1o s MET 13 Ca -0.05 0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 54.09 1g1o s MET 13 Cb -0.08 -0.87 0.04 0.00 2.01 0.00 0.00 34.83 35.93 1g1o s MET 13 CO -0.02 -0.41 0.15 0.08 -0.01 0.00 0.00 175.02 174.81 1g1o s VAL 14 N 2.15 4.07 -0.14 -6.03 1.01 0.01 0.26 120.40 121.73 1g1o s VAL 14 Ca 0.04 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1g1o s VAL 14 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1g1o s VAL 14 CO -0.05 -0.23 0.09 -0.54 0.00 0.00 0.00 175.10 174.38 1g1o s LYS 15 N 1.45 3.60 -0.15 2.72 1.02 0.13 -1.12 119.74 127.39 1g1o s LYS 15 Ca -0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1g1o s LYS 15 Cb -0.20 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1g1o s LYS 15 CO 0.04 0.56 -0.12 0.08 -0.92 0.00 0.00 175.35 174.99 1g1o s VAL 16 N -0.43 1.50 -0.00 3.17 1.01 -1.26 -1.18 120.40 123.21 1g1o s VAL 16 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1g1o s VAL 16 Cb -0.12 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1g1o s VAL 16 CO 0.02 0.39 -0.11 -0.76 0.00 0.00 0.00 175.10 174.64 1g1o s LEU 17 N 1.50 2.94 -0.50 3.92 1.43 0.71 -0.00 118.68 128.68 1g1o s LEU 17 Ca 0.04 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1g1o s LEU 17 Cb -0.13 -1.68 0.09 0.00 0.03 0.00 0.00 46.19 44.50 1g1o s LEU 17 CO -0.10 0.29 0.46 -0.62 0.23 0.00 0.00 176.35 176.61 1g1o s ASP 18 N -1.26 6.17 0.12 2.29 3.68 0.50 -0.18 116.67 128.00 1g1o s ASP 18 Ca 0.15 -1.47 0.16 0.00 2.13 0.00 0.00 52.55 53.53 1g1o s ASP 18 Cb -0.11 -2.21 0.72 0.00 -1.45 0.00 0.00 42.92 39.87 1g1o s ASP 18 CO 0.05 -0.76 1.50 0.00 0.13 0.00 0.00 175.17 176.10 1g1o n ALA 19 N 5.34 1.50 0.07 3.66 0.00 -0.17 0.41 120.51 131.32 1g1o n ALA 19 Ca -0.12 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1g1o n ALA 19 Cb 0.42 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 1g1o n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g1o h VAL 20 N 0.00 1.03 0.00 0.00 2.07 -1.93 -3.38 116.25 114.04 1g1o h VAL 20 Ca 0.00 -2.52 -0.23 0.00 0.82 0.00 0.00 66.70 64.78 1g1o h VAL 20 Cb 0.23 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1g1o h VAL 20 CO 0.00 0.82 -1.77 -1.14 0.02 0.00 0.00 177.57 175.49 1g1o n ARG 21 N -3.71 0.64 -2.37 1.57 0.63 -1.08 -5.00 116.66 107.34 1g1o n ARG 21 Ca -0.23 0.14 -0.04 0.00 -0.92 0.00 0.00 57.85 56.80 1g1o n ARG 21 Cb 1.03 -1.71 0.01 0.00 0.45 0.00 0.00 32.46 32.24 1g1o n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1g1o n GLY 22 N 1.50 0.48 3.12 5.14 0.00 0.17 -5.06 105.19 110.53 1g1o n GLY 22 Ca -0.16 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1g1o n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1o s SER 23 N -2.95 0.75 0.21 1.61 0.01 -1.16 -4.98 113.70 107.18 1g1o s SER 23 Ca 0.05 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.04 1g1o s SER 23 Cb -0.02 0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.26 1g1o s SER 23 CO 0.06 -0.52 1.40 -2.84 0.41 0.00 0.00 173.24 171.75 1g1o s PRO 24 N -3.72 4.31 -0.57 12.44 0.02 -1.26 -0.37 135.00 145.85 1g1o s PRO 24 Ca 0.08 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 1g1o s PRO 24 Cb 0.06 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1g1o s PRO 24 CO -0.07 -0.38 1.31 0.00 -0.33 0.00 0.00 177.00 177.53 1g1o s ALA 25 N 0.25 2.89 0.37 -1.55 0.00 1.00 -4.76 121.76 119.96 1g1o s ALA 25 Ca 0.60 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 1g1o s ALA 25 Cb -0.40 -4.08 -0.07 0.00 0.00 0.00 0.00 23.12 18.58 1g1o s ALA 25 CO 0.39 -2.82 0.72 0.42 0.00 0.00 0.00 175.76 174.47 1g1o s ILE 26 N 5.56 4.82 -1.07 0.00 -1.09 -1.26 -4.25 121.20 123.91 1g1o s ILE 26 Ca 0.48 0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 59.44 1g1o s ILE 26 Cb -0.09 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1g1o s ILE 26 CO 0.25 -0.42 0.21 0.59 -1.23 0.00 0.00 174.94 174.34 1g1o n ASN 27 N -1.05 -4.34 -4.81 3.58 3.02 -0.13 -4.92 115.26 106.61 1g1o n ASN 27 Ca 0.02 -0.10 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1g1o n ASN 27 Cb 0.54 -3.36 -0.07 0.00 -0.61 0.00 0.00 39.78 36.28 1g1o n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g1o s VAL 28 N -2.82 5.36 0.05 2.41 1.01 -1.26 -4.78 120.40 120.37 1g1o s VAL 28 Ca 0.10 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1g1o s VAL 28 Cb -0.05 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1g1o s VAL 28 CO 0.13 0.53 0.97 0.00 0.00 0.00 0.00 175.10 176.73 1g1o s ALA 29 N -0.47 3.20 -0.08 5.51 0.00 -1.26 -1.61 121.76 127.05 1g1o s ALA 29 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1g1o s ALA 29 Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1g1o s ALA 29 CO 0.05 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.68 1g1o s VAL 30 N 0.55 0.84 -0.19 0.00 1.01 -0.25 -0.89 120.40 121.47 1g1o s VAL 30 Ca 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1g1o s VAL 30 Cb -0.22 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1g1o s VAL 30 CO 0.29 0.32 -0.13 -1.00 0.00 0.00 0.00 175.10 174.57 1g1o s HIS 31 N 1.33 2.84 -0.20 5.22 3.76 0.11 -1.97 115.29 126.39 1g1o s HIS 31 Ca -0.03 -1.24 -0.09 0.00 -0.15 0.00 0.00 55.06 53.55 1g1o s HIS 31 Cb -0.14 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 1g1o s HIS 31 CO -0.03 -0.62 0.11 0.08 -0.85 0.00 0.00 174.74 173.42 1g1o s VAL 32 N 1.21 5.20 0.10 -0.90 1.01 0.25 0.48 120.40 127.76 1g1o s VAL 32 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1g1o s VAL 32 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1g1o s VAL 32 CO -0.06 0.44 -0.17 -0.36 0.00 0.00 0.00 175.10 174.95 1g1o s PHE 33 N 0.40 1.54 -0.06 5.22 0.08 0.24 0.49 117.98 125.89 1g1o s PHE 33 Ca 0.06 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.68 1g1o s PHE 33 Cb -0.12 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1g1o s PHE 33 CO -0.01 0.16 -0.12 0.50 -0.10 0.00 0.00 175.22 175.65 1g1o s ARG 34 N -2.08 2.64 0.36 0.44 3.52 0.74 0.48 118.95 125.05 1g1o s ARG 34 Ca 0.05 -0.66 -0.26 0.00 -0.13 0.00 0.00 55.73 54.74 1g1o s ARG 34 Cb -0.09 -2.45 -0.09 0.00 -1.56 0.00 0.00 34.95 30.76 1g1o s ARG 34 CO 0.04 0.60 1.04 0.21 -0.81 0.00 0.00 175.30 176.38 1g1o s LYS 35 N -0.66 4.34 0.25 5.12 2.20 0.91 0.89 119.74 132.79 1g1o s LYS 35 Ca 0.10 1.54 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 1g1o s LYS 35 Cb -0.11 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.47 1g1o s LYS 35 CO 0.01 0.01 0.14 0.00 -0.36 0.00 0.00 175.35 175.14 1g1o n ALA 36 N 0.31 0.42 -1.78 3.13 0.00 0.12 -4.82 120.51 117.90 1g1o n ALA 36 Ca 0.03 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 1g1o n ALA 36 Cb 0.49 0.98 -0.01 0.00 0.00 0.00 0.00 19.45 20.91 1g1o n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g1o s ALA 37 N -2.81 3.63 -0.99 0.00 0.00 -1.26 -3.06 121.76 117.27 1g1o s ALA 37 Ca 0.19 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.61 1g1o s ALA 37 Cb 0.01 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1g1o s ALA 37 CO 0.14 -0.96 0.75 -0.25 0.00 0.00 0.00 175.76 175.44 1g1o n ASP 38 N 1.30 -5.05 -0.72 0.00 9.92 -1.26 -2.52 116.55 118.21 1g1o n ASP 38 Ca 0.04 -0.34 -0.09 0.00 -0.53 0.00 0.00 54.79 53.86 1g1o n ASP 38 Cb 0.39 -3.70 -0.04 0.00 -0.64 0.00 0.00 41.12 37.13 1g1o n ASP 38 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1g1o n ASP 39 N -1.60 -5.57 -4.65 -2.24 8.00 -1.17 -4.93 116.55 104.39 1g1o n ASP 39 Ca -0.01 0.23 -0.43 0.00 0.71 0.00 0.00 54.79 55.30 1g1o n ASP 39 Cb 0.55 -3.90 -0.02 0.00 -0.02 0.00 0.00 41.12 37.73 1g1o n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1g1o s THR 40 N -1.87 3.85 -0.30 -3.53 2.01 -1.05 -4.82 115.64 109.92 1g1o s THR 40 Ca 0.00 1.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.82 1g1o s THR 40 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1g1o s THR 40 CO 0.00 -0.18 0.51 0.26 -0.69 0.00 0.00 174.62 174.52 1g1o s TRP 41 N 4.26 3.22 0.19 4.92 0.52 -1.26 0.13 118.94 130.91 1g1o s TRP 41 Ca 0.66 0.43 -0.29 0.00 0.02 0.00 0.00 56.10 56.92 1g1o s TRP 41 Cb -0.26 -2.82 -0.08 0.00 -1.15 0.00 0.00 33.47 29.16 1g1o s TRP 41 CO 0.25 -0.40 0.90 -1.21 0.02 0.00 0.00 176.95 176.51 1g1o s GLU 42 N 2.35 4.75 -0.26 4.98 2.02 0.26 -4.86 118.70 127.94 1g1o s GLU 42 Ca 0.20 1.39 -0.29 0.00 0.02 0.00 0.00 54.97 56.29 1g1o s GLU 42 Cb -0.15 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.79 1g1o s GLU 42 CO 0.11 0.46 1.06 -2.14 0.02 0.00 0.00 175.26 174.77 1g1o s PRO 43 N -0.88 4.19 -0.22 0.39 0.02 -1.26 -0.19 135.00 137.06 1g1o s PRO 43 Ca 0.41 1.27 -0.08 0.00 0.02 0.00 0.00 61.00 62.62 1g1o s PRO 43 Cb -0.25 -3.68 -0.18 0.00 0.02 0.00 0.00 34.50 30.42 1g1o s PRO 43 CO 0.30 -0.72 -0.05 0.34 -0.33 0.00 0.00 177.00 176.54 1g1o n PHE 44 N 6.51 0.47 -3.55 6.54 7.35 0.18 -4.87 117.46 130.09 1g1o n PHE 44 Ca 0.12 0.14 -0.09 0.00 -0.76 0.00 0.00 57.45 56.85 1g1o n PHE 44 Cb 0.46 -1.06 -0.04 0.00 0.35 0.00 0.00 39.48 39.20 1g1o n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1g1o s ALA 45 N -2.50 -1.90 0.23 3.13 0.00 -0.85 -4.99 121.76 114.88 1g1o s ALA 45 Ca -0.32 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 1g1o s ALA 45 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1g1o s ALA 45 CO 0.61 -0.48 0.37 0.45 0.00 0.00 0.00 175.76 176.71 1g1o s SER 46 N -1.73 -0.02 0.00 0.00 0.15 -1.26 0.87 113.70 111.71 1g1o s SER 46 Ca 0.02 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1g1o s SER 46 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1g1o s SER 46 CO -0.03 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1g1o n GLY 47 N -0.35 -1.14 3.10 9.45 0.00 -0.83 -5.01 105.19 110.41 1g1o n GLY 47 Ca -0.01 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 1g1o n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1o s LYS 48 N -2.00 0.65 0.29 1.61 1.02 -1.26 -1.09 119.74 118.95 1g1o s LYS 48 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 1g1o s LYS 48 Cb 0.00 -0.52 -0.10 0.00 -0.52 0.00 0.00 37.83 36.69 1g1o s LYS 48 CO 0.00 0.11 1.41 0.95 -0.92 0.00 0.00 175.35 176.90 1g1o s THR 49 N -1.24 2.58 0.05 2.17 -4.23 -0.63 -4.70 115.64 109.64 1g1o s THR 49 Ca -0.06 0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1g1o s THR 49 Cb -0.09 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1g1o s THR 49 CO 0.01 0.10 0.28 -0.94 -0.54 0.00 0.00 174.62 173.53 1g1o s SER 50 N 0.07 -0.08 0.08 3.99 1.04 -1.20 -0.95 113.70 116.65 1g1o s SER 50 Ca 0.56 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1g1o s SER 50 Cb -0.42 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1g1o s SER 50 CO 0.49 -0.63 -0.05 -1.83 0.98 0.00 0.00 173.24 172.20 1g1o s GLU 51 N -2.75 0.75 -0.30 4.02 -1.05 -1.26 -3.11 118.70 115.00 1g1o s GLU 51 Ca -0.04 -1.30 -0.07 0.00 -0.15 0.00 0.00 54.97 53.42 1g1o s GLU 51 Cb -0.00 -0.04 0.17 0.00 -0.44 0.00 0.00 34.13 33.82 1g1o s GLU 51 CO -0.05 -0.06 0.76 -1.54 0.95 0.00 0.00 175.26 175.32 1g1o s SER 52 N -3.00 -1.04 1.71 0.83 1.04 -0.79 -5.02 113.70 107.43 1g1o s SER 52 Ca 0.10 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1g1o s SER 52 Cb 0.06 1.96 0.00 0.00 0.10 0.00 0.00 66.02 68.14 1g1o s SER 52 CO -0.07 -0.20 0.00 -1.20 0.98 0.00 0.00 173.24 172.76 1g1o n SER 53 N 5.39 0.00 -0.09 7.02 7.64 -1.26 -1.76 113.62 130.56 1g1o n SER 53 Ca -0.05 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.87 1g1o n SER 53 Cb 0.51 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.96 1g1o n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g1o n ASP 54 N 4.44 0.25 -4.38 6.43 -0.08 -1.26 -4.63 116.55 117.32 1g1o n ASP 54 Ca 0.00 -1.76 -0.45 0.00 -1.51 0.00 0.00 54.79 51.08 1g1o n ASP 54 Cb 0.00 -0.02 -0.07 0.00 2.34 0.00 0.00 41.12 43.36 1g1o n ASP 54 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1g1o s SER 55 N -1.26 6.16 -0.30 1.67 1.04 -0.72 -4.92 113.70 115.37 1g1o s SER 55 Ca 0.15 -1.35 0.10 0.00 0.48 0.00 0.00 55.95 55.33 1g1o s SER 55 Cb 0.07 -2.20 0.46 0.00 0.10 0.00 0.00 66.02 64.46 1g1o s SER 55 CO 0.11 -0.71 1.16 0.00 0.98 0.00 0.00 173.24 174.78 1g1o n HIS 56 N 5.32 2.49 -1.80 5.02 1.44 -1.26 -1.88 115.22 124.56 1g1o n HIS 56 Ca -0.12 -2.32 0.00 0.00 -2.01 0.00 0.00 57.72 53.27 1g1o n HIS 56 Cb 0.43 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 30.25 1g1o n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1g1o n GLY 57 N -0.64 4.02 3.32 -1.39 0.00 -1.18 -4.07 105.19 105.25 1g1o n GLY 57 Ca 0.35 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1g1o n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g1o s LEU 58 N 0.00 2.65 0.15 0.99 2.96 -0.27 -3.26 118.68 121.89 1g1o s LEU 58 Ca 0.00 -0.39 0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1g1o s LEU 58 Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1g1o s LEU 58 CO 0.00 0.11 -0.24 0.42 -1.32 0.00 0.00 176.35 175.32 1g1o s THR 59 N 0.68 2.41 0.17 3.68 -4.23 -1.26 -0.81 115.64 116.28 1g1o s THR 59 Ca -0.06 -1.81 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1g1o s THR 59 Cb -0.15 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1g1o s THR 59 CO 0.02 0.02 -0.13 0.28 -0.54 0.00 0.00 174.62 174.27 1g1o s THR 60 N -1.29 1.48 -0.14 3.99 -1.32 -0.90 -5.02 115.64 112.45 1g1o s THR 60 Ca 0.17 -2.05 0.19 0.00 -1.21 0.00 0.00 61.69 58.79 1g1o s THR 60 Cb -0.09 -1.87 -0.28 0.00 -1.51 0.00 0.00 72.50 68.75 1g1o s THR 60 CO 0.08 -0.59 0.23 -1.84 -2.21 0.00 0.00 174.62 170.29 1g1o n GLU 61 N -0.10 0.68 -2.04 7.08 0.28 -1.26 -3.50 120.64 121.77 1g1o n GLU 61 Ca -0.10 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.16 56.41 1g1o n GLU 61 Cb 0.60 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.91 1g1o n GLU 61 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1g1o s GLU 62 N -2.86 4.28 0.83 3.44 8.01 -1.26 -4.57 118.70 126.57 1g1o s GLU 62 Ca -0.09 2.26 -0.12 0.00 0.01 0.00 0.00 54.97 57.03 1g1o s GLU 62 Cb 0.09 -3.14 0.09 0.00 -4.31 0.00 0.00 34.13 26.86 1g1o s GLU 62 CO 0.86 -0.44 1.14 -1.21 0.01 0.00 0.00 175.26 175.62 1g1o s GLU 63 N 0.11 1.79 -0.36 1.61 2.02 -1.26 -4.69 118.70 117.92 1g1o s GLU 63 Ca 0.62 0.30 -0.11 0.00 0.02 0.00 0.00 54.97 55.80 1g1o s GLU 63 Cb -0.41 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1g1o s GLU 63 CO 0.39 -1.75 0.20 -0.06 0.02 0.00 0.00 175.26 174.06 1g1o s PHE 64 N -3.38 3.23 0.51 1.61 0.40 -1.26 -5.08 117.98 114.01 1g1o s PHE 64 Ca 0.62 -0.85 -0.16 0.00 -0.60 0.00 0.00 56.93 55.94 1g1o s PHE 64 Cb -0.13 -2.43 -0.07 0.00 0.51 0.00 0.00 43.02 40.90 1g1o s PHE 64 CO 0.52 -0.60 0.97 0.14 0.70 0.00 0.00 175.22 176.95 1g1o s VAL 65 N 1.57 4.57 0.12 -0.44 -7.23 -1.26 -4.78 120.40 112.94 1g1o s VAL 65 Ca 0.03 1.15 -0.36 0.00 -1.81 0.00 0.00 61.98 60.99 1g1o s VAL 65 Cb -0.19 -3.73 -0.16 0.00 0.56 0.00 0.00 36.38 32.86 1g1o s VAL 65 CO 0.07 -0.71 1.41 1.21 -0.31 0.00 0.00 175.10 176.77 1g1o n GLU 66 N -1.65 1.50 -3.63 4.82 2.13 -1.25 -4.84 120.64 117.72 1g1o n GLU 66 Ca 0.06 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1g1o n GLU 66 Cb 0.54 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1g1o n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g1o n GLY 67 N 2.79 -1.09 3.37 8.31 0.00 -1.03 -4.98 105.19 112.56 1g1o n GLY 67 Ca 0.18 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1g1o n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g1o s ILE 68 N -3.00 3.25 0.19 -0.61 1.01 -1.26 -0.01 121.20 120.77 1g1o s ILE 68 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1g1o s ILE 68 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1g1o s ILE 68 CO 0.00 0.49 -0.19 -0.31 0.00 0.00 0.00 174.94 174.93 1g1o s TYR 69 N 0.70 2.42 -0.05 3.97 1.51 -0.00 -0.06 117.35 125.84 1g1o s TYR 69 Ca -0.05 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1g1o s TYR 69 Cb -0.15 -1.19 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1g1o s TYR 69 CO 0.02 0.50 -0.13 0.21 -1.11 0.00 0.00 175.55 175.05 1g1o s LYS 70 N -2.73 1.54 -0.22 -0.62 2.20 0.18 -1.57 119.74 118.52 1g1o s LYS 70 Ca 0.22 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1g1o s LYS 70 Cb -0.08 -1.33 0.02 0.00 -1.51 0.00 0.00 37.83 34.93 1g1o s LYS 70 CO 0.12 0.11 -0.09 0.08 -0.36 0.00 0.00 175.35 175.21 1g1o s VAL 71 N 0.36 2.81 -0.18 4.02 1.01 0.72 0.80 120.40 129.94 1g1o s VAL 71 Ca -0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1g1o s VAL 71 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1g1o s VAL 71 CO 0.02 0.34 0.08 -1.61 0.00 0.00 0.00 175.10 173.93 1g1o s GLU 72 N 1.36 4.01 -0.13 2.72 2.02 0.18 -0.61 118.70 128.24 1g1o s GLU 72 Ca 0.03 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.72 1g1o s GLU 72 Cb -0.15 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1g1o s GLU 72 CO -0.06 0.30 -0.13 0.42 0.02 0.00 0.00 175.26 175.81 1g1o s ILE 73 N 0.31 1.45 -1.29 -1.63 1.01 0.11 0.10 121.20 121.26 1g1o s ILE 73 Ca 0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1g1o s ILE 73 Cb -0.12 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1g1o s ILE 73 CO -0.00 0.44 1.87 -0.67 0.00 0.00 0.00 174.94 176.57 1g1o n ASP 74 N 4.61 4.37 0.20 3.58 4.64 -0.07 -1.81 116.55 132.07 1g1o n ASP 74 Ca -0.17 -2.86 0.13 0.00 -1.38 0.00 0.00 54.79 50.51 1g1o n ASP 74 Cb 0.50 -1.70 0.31 0.00 -1.04 0.00 0.00 41.12 39.19 1g1o n ASP 74 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1g1o h THR 75 N 5.30 0.00 0.14 5.18 1.35 -1.88 -3.21 112.91 119.80 1g1o h THR 75 Ca 0.44 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1g1o h THR 75 Cb 0.83 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1g1o h THR 75 CO 1.53 0.00 -0.07 0.50 -0.25 0.00 0.00 175.52 177.23 1g1o h LYS 76 N 0.00 -0.19 -0.55 4.72 3.64 -1.80 -2.92 116.57 119.48 1g1o h LYS 76 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1g1o h LYS 76 Cb 0.84 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1g1o h LYS 76 CO 0.00 0.19 0.36 1.03 -2.27 0.00 0.00 179.45 178.77 1g1o h SER 77 N -0.62 0.52 -0.14 4.20 0.87 -1.89 -1.92 113.55 114.56 1g1o h SER 77 Ca -0.02 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1g1o h SER 77 Cb 0.47 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1g1o h SER 77 CO 0.03 0.35 0.07 0.22 -0.53 0.00 0.00 176.83 176.97 1g1o h TYR 78 N 0.60 0.21 -0.08 2.24 3.20 -1.54 -2.88 116.97 118.71 1g1o h TYR 78 Ca 0.23 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 1g1o h TYR 78 Cb 0.15 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1g1o h TYR 78 CO -0.00 0.26 -0.55 -1.49 -1.64 0.00 0.00 178.16 174.74 1g1o h TRP 79 N 0.10 0.31 -0.56 -3.82 -0.00 -1.29 -3.12 115.95 107.57 1g1o h TRP 79 Ca 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.89 58.78 1g1o h TRP 79 Cb 0.13 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.21 1g1o h TRP 79 CO -0.02 0.75 0.13 0.87 -0.00 0.00 0.00 178.44 180.17 1g1o h LYS 80 N 0.19 0.86 0.00 0.49 1.79 -1.14 0.35 116.57 119.11 1g1o h LYS 80 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1g1o h LYS 80 Cb 1.04 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1g1o h LYS 80 CO 0.09 0.77 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 1g1o h ALA 81 N 1.32 1.00 -0.50 3.86 0.00 -1.44 0.13 119.26 123.63 1g1o h ALA 81 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1g1o h ALA 81 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1g1o h ALA 81 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1g1o n LEU 82 N -2.96 4.70 -2.37 0.00 4.77 -0.34 -4.94 117.00 115.85 1g1o n LEU 82 Ca -0.02 -2.70 -0.17 0.00 -0.03 0.00 0.00 56.01 53.09 1g1o n LEU 82 Cb 0.14 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1g1o n LEU 82 CO 0.21 0.72 0.02 0.61 -1.33 0.00 0.00 177.39 177.61 1g1o n GLY 83 N 0.51 -0.22 3.10 -0.72 0.00 0.46 -5.02 105.19 103.30 1g1o n GLY 83 Ca 0.24 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1g1o n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g1o s ILE 84 N -3.04 1.09 -0.59 -0.61 1.01 -0.04 -4.99 121.20 114.03 1g1o s ILE 84 Ca 0.25 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1g1o s ILE 84 Cb -0.11 -0.92 0.15 0.00 0.01 0.00 0.00 42.46 41.59 1g1o s ILE 84 CO 0.31 0.31 0.53 -0.44 0.00 0.00 0.00 174.94 175.65 1g1o s SER 85 N -0.23 6.20 0.60 3.58 0.01 -1.26 -2.70 113.70 119.89 1g1o s SER 85 Ca 0.04 -2.02 -0.17 0.00 1.31 0.00 0.00 55.95 55.10 1g1o s SER 85 Cb -0.06 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1g1o s SER 85 CO -0.00 -0.76 1.11 -2.16 0.41 0.00 0.00 173.24 171.84 1g1o s PRO 86 N 1.22 3.09 0.06 12.44 0.04 -1.26 -4.98 135.00 145.61 1g1o s PRO 86 Ca 0.07 1.47 -0.35 0.00 0.04 0.00 0.00 61.00 62.23 1g1o s PRO 86 Cb -0.25 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.11 1g1o s PRO 86 CO -0.00 -1.03 1.53 0.35 0.04 0.00 0.00 177.00 177.89 1g1o h PHE 87 N 0.59 -1.06 -3.00 0.56 3.57 -1.66 -3.43 116.94 112.51 1g1o h PHE 87 Ca -0.48 -0.03 -0.53 0.00 3.53 0.00 0.00 57.97 60.47 1g1o h PHE 87 Cb 1.25 0.35 0.03 0.00 2.79 0.00 0.00 35.95 40.37 1g1o h PHE 87 CO 0.53 -0.66 0.76 -1.01 -2.23 0.00 0.00 178.31 175.71 1g1o s HIS 88 N -5.83 3.18 0.23 0.41 3.76 -1.26 -4.90 115.29 110.88 1g1o s HIS 88 Ca -0.18 0.88 0.29 0.00 -0.15 0.00 0.00 55.06 55.90 1g1o s HIS 88 Cb 0.02 -3.75 1.29 0.00 1.11 0.00 0.00 32.58 31.25 1g1o s HIS 88 CO 0.59 -2.65 1.97 0.93 -0.85 0.00 0.00 174.74 174.72 1g1o h GLU 89 N 6.60 0.00 -2.00 1.40 4.39 -1.99 -3.41 114.58 119.58 1g1o h GLU 89 Ca -0.43 0.00 0.34 0.00 0.34 0.00 0.00 59.36 59.62 1g1o h GLU 89 Cb 1.21 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 1g1o h GLU 89 CO 0.87 0.12 0.90 -3.38 -1.16 0.00 0.00 179.01 176.35 1g1o s HIS 90 N -3.83 0.01 -0.08 4.33 -3.43 -1.26 -4.13 115.29 106.90 1g1o s HIS 90 Ca -0.01 -0.13 0.04 0.00 -0.80 0.00 0.00 55.06 54.17 1g1o s HIS 90 Cb 0.11 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.81 1g1o s HIS 90 CO 0.58 -0.26 -0.22 0.00 -2.00 0.00 0.00 174.74 172.84 1g1o s ALA 91 N -2.08 2.26 -0.06 -1.38 0.00 -0.75 -4.90 121.76 114.85 1g1o s ALA 91 Ca 0.27 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1g1o s ALA 91 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1g1o s ALA 91 CO -0.01 0.36 -0.04 -2.00 0.00 0.00 0.00 175.76 174.06 1g1o s GLU 92 N 0.05 0.94 -0.30 0.00 2.12 -1.26 -0.71 118.70 119.55 1g1o s GLU 92 Ca -0.09 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 1g1o s GLU 92 Cb -0.15 -1.01 0.05 0.00 0.26 0.00 0.00 34.13 33.27 1g1o s GLU 92 CO 0.06 -0.15 -0.01 0.08 -0.54 0.00 0.00 175.26 174.70 1g1o s VAL 93 N 1.25 2.97 -0.21 3.70 1.01 0.22 -4.94 120.40 124.40 1g1o s VAL 93 Ca -0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1g1o s VAL 93 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1g1o s VAL 93 CO -0.02 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.25 1g1o s VAL 94 N 1.25 3.36 0.18 2.92 1.01 -1.26 -0.20 120.40 127.66 1g1o s VAL 94 Ca -0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1g1o s VAL 94 Cb -0.20 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1g1o s VAL 94 CO -0.01 0.43 0.16 0.72 0.00 0.00 0.00 175.10 176.40 1g1o s PHE 95 N 1.37 0.92 -0.15 5.22 -0.71 -0.61 -5.01 117.98 119.01 1g1o s PHE 95 Ca 0.04 -1.21 -0.03 0.00 -1.04 0.00 0.00 56.93 54.69 1g1o s PHE 95 Cb -0.14 -0.41 -0.02 0.00 -1.21 0.00 0.00 43.02 41.23 1g1o s PHE 95 CO -0.03 -0.65 -0.06 0.99 -1.34 0.00 0.00 175.22 174.14 1g1o s THR 96 N -4.09 3.70 -1.15 -4.49 2.01 -1.26 -0.82 115.64 109.54 1g1o s THR 96 Ca 0.31 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1g1o s THR 96 Cb 0.06 -2.61 0.25 0.00 0.01 0.00 0.00 72.50 70.21 1g1o s THR 96 CO 0.07 0.50 1.43 0.00 -0.69 0.00 0.00 174.62 175.93 1g1o n ALA 97 N 3.59 4.71 0.43 7.40 0.00 0.99 -4.79 120.51 132.84 1g1o n ALA 97 Ca -0.18 -4.59 0.13 0.00 0.00 0.00 0.00 53.44 48.81 1g1o n ALA 97 Cb 0.52 -2.61 0.42 0.00 0.00 0.00 0.00 19.45 17.79 1g1o n ALA 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1g1o h ASN 98 N 6.14 0.00 -2.32 0.00 -0.00 -1.94 -2.74 115.58 114.72 1g1o h ASN 98 Ca 0.25 0.00 -0.62 0.00 -0.00 0.00 0.00 56.30 55.93 1g1o h ASN 98 Cb 0.74 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.93 1g1o h ASN 98 CO 1.27 0.00 0.85 -1.81 -0.00 0.00 0.00 177.43 177.74 1g1o s ASP 99 N -4.99 6.31 0.46 1.15 1.01 -1.26 -4.87 116.67 114.48 1g1o s ASP 99 Ca 0.07 -1.15 0.13 0.00 0.71 0.00 0.00 52.55 52.31 1g1o s ASP 99 Cb 0.10 -2.47 1.07 0.00 1.01 0.00 0.00 42.92 42.63 1g1o s ASP 99 CO 0.55 -1.46 2.05 0.77 0.21 0.00 0.00 175.17 177.29 1g1o h SER 100 N 9.55 0.28 -4.23 0.27 4.64 -1.91 -3.43 113.55 118.71 1g1o h SER 100 Ca -0.13 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.66 1g1o h SER 100 Cb 1.05 -0.06 0.17 0.00 -0.31 0.00 0.00 62.40 63.25 1g1o h SER 100 CO 1.22 0.18 0.32 -0.83 -0.87 0.00 0.00 176.83 176.85 1g1o s GLY 101 N -3.85 2.00 -0.01 -0.77 0.00 -1.26 -4.55 107.32 98.89 1g1o s GLY 101 Ca -0.07 0.70 -0.33 0.00 0.00 0.00 0.00 44.72 45.02 1g1o s GLY 101 CO 0.72 1.10 1.88 -1.55 0.00 0.00 0.00 173.10 175.25 1g1o n PRO 102 N -3.43 2.44 -4.25 2.90 -0.04 -1.26 -4.99 135.00 126.37 1g1o n PRO 102 Ca 0.12 0.89 -0.17 0.00 -0.04 0.00 0.00 63.50 64.30 1g1o n PRO 102 Cb 0.51 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 1g1o n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g1o s ARG 103 N 3.79 1.05 -0.20 0.54 1.81 -1.26 -4.49 118.95 120.19 1g1o s ARG 103 Ca 0.89 -1.30 -0.06 0.00 -1.72 0.00 0.00 55.73 53.55 1g1o s ARG 103 Cb -0.60 -0.87 -0.03 0.00 -0.45 0.00 0.00 34.95 33.00 1g1o s ARG 103 CO 0.46 0.16 0.02 1.03 -0.68 0.00 0.00 175.30 176.29 1g1o s ARG 104 N -2.93 3.70 -0.21 3.54 0.52 0.18 -4.70 118.95 119.05 1g1o s ARG 104 Ca 0.11 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1g1o s ARG 104 Cb -0.03 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1g1o s ARG 104 CO 0.03 0.08 -0.10 0.71 0.02 0.00 0.00 175.30 176.04 1g1o s TYR 105 N 0.85 2.90 -0.25 -0.53 1.51 -0.05 -1.36 117.35 120.42 1g1o s TYR 105 Ca 0.01 -1.24 -0.05 0.00 -1.01 0.00 0.00 57.07 54.78 1g1o s TYR 105 Cb -0.14 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1g1o s TYR 105 CO 0.02 -0.66 -0.00 0.99 -1.11 0.00 0.00 175.55 174.79 1g1o s THR 106 N 1.40 3.54 -0.19 -0.71 2.01 -0.52 -1.04 115.64 120.13 1g1o s THR 106 Ca 0.05 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1g1o s THR 106 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 1g1o s THR 106 CO -0.07 0.28 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.41 1g1o s ILE 107 N 1.47 3.01 0.07 1.82 1.01 0.14 -1.07 121.20 127.66 1g1o s ILE 107 Ca 0.04 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1g1o s ILE 107 Cb -0.16 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1g1o s ILE 107 CO -0.01 0.47 -0.20 0.00 0.00 0.00 0.00 174.94 175.20 1g1o s ALA 108 N 1.15 2.54 -0.06 9.38 0.00 -0.14 0.20 121.76 134.83 1g1o s ALA 108 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1g1o s ALA 108 Cb -0.14 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1g1o s ALA 108 CO -0.03 0.57 -0.02 0.00 0.00 0.00 0.00 175.76 176.28 1g1o s ALA 109 N -0.99 0.68 -0.29 0.00 0.00 -0.32 -1.08 121.76 119.76 1g1o s ALA 109 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1g1o s ALA 109 Cb -0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1g1o s ALA 109 CO 0.06 -0.24 0.13 -1.17 0.00 0.00 0.00 175.76 174.54 1g1o s LEU 110 N 1.44 3.91 -0.10 0.00 1.98 0.22 -0.21 118.68 125.93 1g1o s LEU 110 Ca -0.03 -0.44 -0.04 0.00 -2.89 0.00 0.00 54.13 50.74 1g1o s LEU 110 Cb -0.13 -1.98 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 1g1o s LEU 110 CO -0.03 -0.15 0.06 -0.76 -1.89 0.00 0.00 176.35 173.58 1g1o s LEU 111 N 1.61 3.91 0.02 -0.68 1.43 0.75 -1.46 118.68 124.26 1g1o s LEU 111 Ca 0.05 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 1g1o s LEU 111 Cb -0.17 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1g1o s LEU 111 CO 0.05 0.39 0.09 -0.44 0.23 0.00 0.00 176.35 176.67 1g1o s SER 112 N -0.92 0.11 0.26 2.29 0.01 -0.19 -1.00 113.70 114.27 1g1o s SER 112 Ca 0.14 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 1g1o s SER 112 Cb -0.12 0.19 0.56 0.00 0.21 0.00 0.00 66.02 66.86 1g1o s SER 112 CO 0.03 -0.39 1.70 -0.65 0.41 0.00 0.00 173.24 174.34 1g1o h PRO 113 N 4.20 0.34 -0.38 12.44 0.11 -1.99 -2.52 132.00 144.21 1g1o h PRO 113 Ca -0.31 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 1g1o h PRO 113 Cb 1.19 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 1g1o h PRO 113 CO 0.43 0.22 -0.03 0.66 -0.21 0.00 0.00 178.00 179.08 1g1o n TYR 114 N -5.09 1.18 -3.63 0.65 4.02 -1.26 -1.66 117.16 111.37 1g1o n TYR 114 Ca 0.17 -1.53 -0.05 0.00 -0.01 0.00 0.00 57.90 56.48 1g1o n TYR 114 Cb 0.53 -0.50 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1g1o n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1g1o s SER 115 N -2.40 -0.18 0.04 7.72 0.15 -0.95 -4.97 113.70 113.11 1g1o s SER 115 Ca 0.45 0.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 1g1o s SER 115 Cb 0.40 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1g1o s SER 115 CO 0.01 -0.12 0.20 -0.72 1.20 0.00 0.00 173.24 173.81 1g1o s TYR 116 N -0.58 0.04 0.03 3.44 -0.85 -1.26 -1.02 117.35 117.15 1g1o s TYR 116 Ca 0.05 -0.25 0.05 0.00 -0.52 0.00 0.00 57.07 56.40 1g1o s TYR 116 Cb -0.02 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1g1o s TYR 116 CO -0.07 -0.42 -0.14 0.45 -1.52 0.00 0.00 175.55 173.84 1g1o s SER 117 N -2.02 1.65 -0.02 -0.18 0.15 -0.53 -4.95 113.70 107.79 1g1o s SER 117 Ca -0.06 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1g1o s SER 117 Cb -0.02 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1g1o s SER 117 CO -0.03 0.07 -0.09 0.28 1.20 0.00 0.00 173.24 174.67 1g1o s THR 118 N -0.72 0.74 0.01 6.45 -1.32 -1.26 -0.61 115.64 118.94 1g1o s THR 118 Ca 0.02 -0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1g1o s THR 118 Cb -0.07 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1g1o s THR 118 CO 0.01 0.23 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.68 1g1o s THR 119 N 0.13 0.64 -0.05 5.08 2.01 -0.24 -4.98 115.64 118.24 1g1o s THR 119 Ca -0.02 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1g1o s THR 119 Cb -0.08 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1g1o s THR 119 CO 0.00 0.03 -0.24 0.00 -0.69 0.00 0.00 174.62 173.73 1g1o s ALA 120 N -0.50 2.05 -0.21 7.40 0.00 -1.26 -0.97 121.76 128.27 1g1o s ALA 120 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1g1o s ALA 120 Cb -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1g1o s ALA 120 CO 0.00 0.42 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 1g1o s VAL 121 N -0.23 1.96 -0.30 0.00 1.01 -0.23 -4.99 120.40 117.62 1g1o s VAL 121 Ca -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1g1o s VAL 121 Cb -0.13 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1g1o s VAL 121 CO 0.02 0.23 0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1g1o s VAL 122 N 1.26 3.31 0.14 2.92 1.01 -1.26 -1.44 120.40 126.33 1g1o s VAL 122 Ca -0.02 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 60.90 1g1o s VAL 122 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1g1o s VAL 122 CO -0.09 -0.05 -0.23 0.42 0.00 0.00 0.00 175.10 175.15 1g1o s THR 123 N 1.34 2.47 -0.36 3.92 -4.23 -0.46 -4.94 115.64 113.38 1g1o s THR 123 Ca -0.02 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1g1o s THR 123 Cb -0.19 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 71.61 1g1o s THR 123 CO -0.00 0.06 0.12 0.21 -0.54 0.00 0.00 174.62 174.47 1g1o s ASN 124 N -2.18 5.14 0.00 3.99 2.47 -1.26 0.49 114.94 123.58 1g1o s ASN 124 Ca 0.16 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.82 1g1o s ASN 124 Cb -0.10 -1.79 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1g1o s ASN 124 CO 0.08 -0.41 0.13 -2.65 -3.72 0.00 0.00 177.10 170.52