#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpy n THR 9 N 0.00 0.00 0.21 0.61 -2.24 -1.26 -3.84 114.28 107.77 1jpy n THR 9 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1jpy n THR 9 Cb 0.00 -0.12 0.46 0.00 -2.10 0.00 0.00 70.33 68.57 1jpy n THR 9 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1jpy h PHE 10 N 0.00 0.00 -0.02 4.78 3.04 -2.11 -3.08 116.94 119.55 1jpy h PHE 10 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jpy h PHE 10 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1jpy h PHE 10 CO 0.00 0.28 -0.32 1.19 -2.02 0.00 0.00 178.31 177.44 1jpy n PHE 11 N -3.59 0.00 -2.12 0.41 3.72 -1.25 -5.03 117.46 109.60 1jpy n PHE 11 Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1jpy n PHE 11 Cb 0.41 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.13 1jpy n PHE 11 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jpy n GLN 12 N 0.30 -0.90 -4.21 -1.08 6.02 -1.17 -4.96 117.38 111.38 1jpy n GLN 12 Ca 0.10 -2.21 -0.12 0.00 -0.01 0.00 0.00 57.00 54.75 1jpy n GLN 12 Cb 0.46 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.50 1jpy n GLN 12 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jpy s LYS 13 N -5.59 1.00 0.02 -1.09 1.02 -1.26 -5.11 119.74 108.73 1jpy s LYS 13 Ca 0.71 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1jpy s LYS 13 Cb -0.02 -0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1jpy s LYS 13 CO 0.49 -0.10 1.23 -2.14 -0.92 0.00 0.00 175.35 173.91 1jpy s PRO 14 N -3.90 4.38 0.20 -1.68 0.02 -1.26 -4.89 135.00 127.87 1jpy s PRO 14 Ca 0.20 1.78 -0.03 0.00 0.02 0.00 0.00 61.00 62.97 1jpy s PRO 14 Cb 0.06 -3.43 0.39 0.00 0.02 0.00 0.00 34.50 31.54 1jpy s PRO 14 CO 0.01 -0.36 1.06 -1.91 -0.33 0.00 0.00 177.00 175.47 1jpy n GLU 15 N 4.48 -0.06 -0.15 5.54 0.00 -1.26 -1.24 120.64 127.94 1jpy n GLU 15 Ca 0.10 1.04 0.00 0.00 0.00 0.00 0.00 57.16 58.30 1jpy n GLU 15 Cb 0.46 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1jpy n GLU 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jpy n SER 16 N -5.03 1.71 -4.56 4.31 3.41 -1.26 -4.81 113.62 107.38 1jpy n SER 16 Ca 0.13 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 57.04 1jpy n SER 16 Cb 0.41 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1jpy n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jpy n PRO 18 N 0.90 2.09 -1.10 0.00 -0.02 -1.26 -4.91 135.00 130.70 1jpy n PRO 18 Ca -0.14 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1jpy n PRO 18 Cb 0.52 -2.80 0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1jpy n PRO 18 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jpy n PRO 19 N 7.44 0.09 -3.77 0.52 -0.02 -1.26 -5.05 135.00 132.94 1jpy n PRO 19 Ca 0.26 0.07 -0.18 0.00 -2.02 0.00 0.00 63.50 61.63 1jpy n PRO 19 Cb 0.33 -1.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.92 1jpy n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jpy s VAL 20 N -2.07 0.03 0.20 -1.45 1.01 -1.26 -5.13 120.40 111.73 1jpy s VAL 20 Ca 0.60 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1jpy s VAL 20 Cb -0.30 -0.21 -0.17 0.00 0.00 0.00 0.00 36.38 35.71 1jpy s VAL 20 CO 0.63 0.16 0.68 -2.65 0.00 0.00 0.00 175.10 173.93 1jpy n PRO 21 N 4.73 0.30 0.00 2.72 -0.02 -1.26 -2.12 135.00 139.35 1jpy n PRO 21 Ca -0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1jpy n PRO 21 Cb 0.50 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1jpy n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jpy n GLY 22 N 1.82 2.99 1.65 -1.23 0.00 -1.26 -3.64 105.19 105.52 1jpy n GLY 22 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1jpy n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jpy n GLY 23 N -1.80 0.69 3.73 -0.02 0.00 -0.90 -5.05 105.19 101.83 1jpy n GLY 23 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1jpy n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jpy s SER 24 N -3.06 4.69 0.37 1.61 0.01 -1.24 -5.13 113.70 110.96 1jpy s SER 24 Ca 0.06 -0.75 0.08 0.00 1.31 0.00 0.00 55.95 56.64 1jpy s SER 24 Cb -0.02 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1jpy s SER 24 CO 0.09 -0.27 0.26 -0.04 0.41 0.00 0.00 173.24 173.68 1jpy s MET 25 N -3.83 2.50 -0.23 12.44 1.00 -1.26 -4.90 119.30 125.01 1jpy s MET 25 Ca 0.37 -1.51 -0.18 0.00 0.00 0.00 0.00 55.69 54.37 1jpy s MET 25 Cb -0.03 -2.29 -0.03 0.00 0.00 0.00 0.00 34.83 32.48 1jpy s MET 25 CO 0.22 -0.01 0.50 0.21 0.00 0.00 0.00 175.02 175.94 1jpy s LYS 26 N -3.98 4.12 -0.30 2.03 2.20 -1.26 -5.05 119.74 117.50 1jpy s LYS 26 Ca 0.42 0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 56.34 1jpy s LYS 26 Cb -0.03 -3.61 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1jpy s LYS 26 CO 0.25 -0.24 0.01 -1.17 -0.36 0.00 0.00 175.35 173.84 1jpy s LEU 27 N 1.95 3.89 0.50 5.43 2.96 -1.26 -5.11 118.68 127.04 1jpy s LEU 27 Ca 0.22 -1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 52.72 1jpy s LEU 27 Cb -0.15 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 1jpy s LEU 27 CO 0.09 -0.26 1.12 -1.81 -1.32 0.00 0.00 176.35 174.17 1jpy s ASP 28 N 1.29 6.05 0.43 3.68 1.01 -1.26 -5.02 116.67 122.85 1jpy s ASP 28 Ca -0.04 2.16 -0.18 0.00 0.71 0.00 0.00 52.55 55.20 1jpy s ASP 28 Cb -0.19 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.06 1jpy s ASP 28 CO -0.01 -0.99 0.90 0.27 0.21 0.00 0.00 175.17 175.56 1jpy s ILE 29 N -1.74 4.51 0.00 0.77 -4.36 -1.26 -4.92 121.20 114.21 1jpy s ILE 29 Ca 0.68 1.25 0.00 0.00 -0.26 0.00 0.00 60.65 62.31 1jpy s ILE 29 Cb -0.24 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.83 1jpy s ILE 29 CO 0.28 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1jpy n GLY 30 N -0.89 2.09 3.50 6.27 0.00 -1.26 -5.01 105.19 109.89 1jpy n GLY 30 Ca 0.06 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 1jpy n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jpy s ILE 31 N -0.86 4.57 0.40 -0.61 1.09 -1.26 -5.07 121.20 119.46 1jpy s ILE 31 Ca 0.00 -0.09 -0.26 0.00 -1.10 0.00 0.00 60.65 59.21 1jpy s ILE 31 Cb 0.00 -3.14 -0.09 0.00 -1.06 0.00 0.00 42.46 38.18 1jpy s ILE 31 CO 0.00 0.33 1.22 -0.63 -0.10 0.00 0.00 174.94 175.76 1jpy s ILE 32 N 1.51 2.94 -1.67 2.92 1.01 -1.26 -2.25 121.20 124.41 1jpy s ILE 32 Ca 0.06 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1jpy s ILE 32 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1jpy s ILE 32 CO 0.05 0.10 0.00 0.59 0.00 0.00 0.00 174.94 175.68 1jpy n ASN 33 N 0.13 -4.79 0.10 3.58 3.02 -1.26 -4.79 115.26 111.25 1jpy n ASN 33 Ca 0.04 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.90 1jpy n ASN 33 Cb 0.45 -4.17 0.26 0.00 -0.61 0.00 0.00 39.78 35.71 1jpy n ASN 33 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1jpy n GLU 34 N -2.51 0.06 0.00 3.52 2.13 -0.96 -1.96 120.64 120.94 1jpy n GLU 34 Ca -0.19 0.50 -0.06 0.00 0.66 0.00 0.00 57.16 58.07 1jpy n GLU 34 Cb 0.61 -1.91 -0.12 0.00 0.27 0.00 0.00 31.44 30.29 1jpy n GLU 34 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1jpy h ASN 35 N 0.00 0.00 -2.75 4.31 -1.07 -1.86 -3.48 115.58 110.72 1jpy h ASN 35 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 1jpy h ASN 35 Cb 0.40 0.00 0.12 0.00 -2.07 0.00 0.00 38.32 36.78 1jpy h ASN 35 CO 0.00 0.87 0.13 0.00 0.07 0.00 0.00 177.43 178.49 1jpy n GLN 36 N -3.03 1.35 -4.98 4.14 6.02 -0.83 -5.00 117.38 115.05 1jpy n GLN 36 Ca -0.13 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 57.06 1jpy n GLN 36 Cb 0.97 -1.93 -0.15 0.00 1.02 0.00 0.00 30.24 30.15 1jpy n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1jpy s ARG 37 N -1.76 1.73 0.17 -1.09 1.81 -1.26 -5.12 118.95 113.43 1jpy s ARG 37 Ca 0.60 -0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 53.44 1jpy s ARG 37 Cb -0.63 -1.74 -0.07 0.00 -0.45 0.00 0.00 34.95 32.06 1jpy s ARG 37 CO 0.59 0.47 1.12 0.54 -0.68 0.00 0.00 175.30 177.33 1jpy s VAL 38 N -0.63 3.85 -0.17 3.52 0.11 -1.26 -5.03 120.40 120.79 1jpy s VAL 38 Ca 0.09 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.72 1jpy s VAL 38 Cb -0.09 -4.00 0.03 0.00 -1.53 0.00 0.00 36.38 30.79 1jpy s VAL 38 CO 0.00 0.26 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.37 1jpy s SER 39 N -0.01 3.00 0.14 3.54 0.15 -1.26 -5.11 113.70 114.15 1jpy s SER 39 Ca 0.50 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1jpy s SER 39 Cb -0.30 -1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1jpy s SER 39 CO 0.35 -0.12 -0.02 -0.04 1.20 0.00 0.00 173.24 174.61 1jpy s MET 40 N 1.48 0.99 0.76 5.44 -1.94 -1.26 -5.13 119.30 119.64 1jpy s MET 40 Ca 0.02 -1.45 -0.16 0.00 -1.71 0.00 0.00 55.69 52.39 1jpy s MET 40 Cb -0.15 -0.23 -0.02 0.00 2.01 0.00 0.00 34.83 36.45 1jpy s MET 40 CO -0.09 -0.09 0.59 0.43 -0.01 0.00 0.00 175.02 175.85 1jpy n SER 41 N -0.16 -1.04 -4.74 3.03 7.64 -1.26 -4.92 113.62 112.18 1jpy n SER 41 Ca -0.09 0.56 -0.41 0.00 1.01 0.00 0.00 58.87 59.95 1jpy n SER 41 Cb 0.62 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.52 1jpy n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jpy s ARG 42 N -3.01 4.78 -1.53 1.43 1.70 -1.26 -3.26 118.95 117.81 1jpy s ARG 42 Ca 0.65 1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 57.36 1jpy s ARG 42 Cb -0.33 -3.33 0.01 0.00 -0.57 0.00 0.00 34.95 30.74 1jpy s ARG 42 CO 0.58 0.36 0.27 0.09 -1.08 0.00 0.00 175.30 175.53 1jpy n ASN 43 N 2.15 -5.41 -0.31 -2.89 3.02 -1.26 -4.85 115.26 105.71 1jpy n ASN 43 Ca 0.00 -0.12 0.27 0.00 -0.03 0.00 0.00 54.58 54.71 1jpy n ASN 43 Cb 0.48 -4.46 0.60 0.00 -0.61 0.00 0.00 39.78 35.79 1jpy n ASN 43 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jpy h ILE 44 N -0.60 0.48 -0.00 2.41 2.10 -1.92 0.76 117.51 120.74 1jpy h ILE 44 Ca -0.47 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.39 1jpy h ILE 44 Cb 1.33 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1jpy h ILE 44 CO 0.53 0.04 -0.01 -1.84 -1.08 0.00 0.00 178.15 175.80 1jpy n GLU 45 N -4.47 0.84 -0.08 2.19 0.00 -1.26 -2.40 120.64 115.45 1jpy n GLU 45 Ca 0.25 -0.08 -0.15 0.00 0.00 0.00 0.00 57.16 57.18 1jpy n GLU 45 Cb 1.00 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.88 1jpy n GLU 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1jpy n SER 46 N -1.01 1.91 0.10 -1.84 7.64 0.19 -1.52 113.62 119.09 1jpy n SER 46 Ca 0.20 0.08 0.11 0.00 1.01 0.00 0.00 58.87 60.27 1jpy n SER 46 Cb 0.18 -0.40 0.45 0.00 -1.01 0.00 0.00 64.21 63.44 1jpy n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jpy n ARG 47 N -3.41 0.16 -2.22 1.43 1.74 -0.80 -4.76 116.66 108.80 1jpy n ARG 47 Ca -0.32 0.35 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 1jpy n ARG 47 Cb 0.77 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1jpy n ARG 47 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jpy s SER 48 N -4.00 5.84 0.40 0.55 0.15 -1.01 -4.88 113.70 110.75 1jpy s SER 48 Ca 0.06 2.28 0.29 0.00 0.70 0.00 0.00 55.95 59.27 1jpy s SER 48 Cb 0.10 -2.59 1.24 0.00 -1.71 0.00 0.00 66.02 63.06 1jpy s SER 48 CO 0.40 -1.14 1.86 0.71 1.20 0.00 0.00 173.24 176.26 1jpy h THR 49 N 1.46 0.00 -2.37 6.45 1.35 -1.87 -3.16 112.91 114.77 1jpy h THR 49 Ca -0.50 -0.30 -0.59 0.00 -0.55 0.00 0.00 66.41 64.47 1jpy h THR 49 Cb 1.26 1.13 -0.41 0.00 -1.73 0.00 0.00 68.15 68.40 1jpy h THR 49 CO 0.58 0.00 -0.74 -1.54 -0.25 0.00 0.00 175.52 173.57 1jpy n SER 50 N -2.62 2.39 -4.53 5.36 3.41 -1.26 0.58 113.62 116.96 1jpy n SER 50 Ca 0.01 -3.12 -0.35 0.00 -0.26 0.00 0.00 58.87 55.15 1jpy n SER 50 Cb 0.23 -0.67 0.09 0.00 -0.26 0.00 0.00 64.21 63.60 1jpy n SER 50 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jpy n PRO 51 N 1.42 0.27 -4.14 4.33 -0.02 -1.20 -4.43 135.00 131.24 1jpy n PRO 51 Ca 0.26 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1jpy n PRO 51 Cb 0.43 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1jpy n PRO 51 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1jpy s TRP 52 N -1.97 0.89 0.23 6.00 -2.14 -0.57 -1.16 118.94 120.22 1jpy s TRP 52 Ca 0.67 -1.20 0.10 0.00 2.66 0.00 0.00 56.10 58.33 1jpy s TRP 52 Cb -0.32 -0.42 -0.04 0.00 -3.10 0.00 0.00 33.47 29.58 1jpy s TRP 52 CO 0.56 -0.62 -0.12 -0.80 -2.66 0.00 0.00 176.95 173.31 1jpy s ASN 53 N -3.08 4.05 -0.04 -2.66 0.01 0.11 -4.71 114.94 108.62 1jpy s ASN 53 Ca 0.29 -0.75 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 1jpy s ASN 53 Cb 0.06 -0.58 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 1jpy s ASN 53 CO 0.06 0.06 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.20 1jpy s TYR 54 N -2.08 2.53 -0.15 2.20 2.02 -1.26 -0.77 117.35 119.84 1jpy s TYR 54 Ca 0.27 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1jpy s TYR 54 Cb -0.07 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1jpy s TYR 54 CO 0.16 0.03 -0.19 0.99 -1.57 0.00 0.00 175.55 174.97 1jpy s THR 55 N -0.56 1.89 -0.92 -0.71 2.01 0.65 -4.97 115.64 113.03 1jpy s THR 55 Ca 0.08 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1jpy s THR 55 Cb -0.11 -1.70 0.16 0.00 0.01 0.00 0.00 72.50 70.85 1jpy s THR 55 CO 0.01 0.52 1.05 -0.69 -0.69 0.00 0.00 174.62 174.81 1jpy s VAL 56 N 1.08 4.99 0.44 3.82 1.01 -1.26 -0.15 120.40 130.33 1jpy s VAL 56 Ca -0.02 -1.89 -0.25 0.00 0.00 0.00 0.00 61.98 59.82 1jpy s VAL 56 Cb -0.14 -4.70 -0.08 0.00 0.00 0.00 0.00 36.38 31.46 1jpy s VAL 56 CO -0.06 -1.38 1.29 0.42 0.00 0.00 0.00 175.10 175.36 1jpy s THR 57 N 1.91 2.61 0.02 3.92 -4.23 -0.75 -4.86 115.64 114.26 1jpy s THR 57 Ca 0.29 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 1jpy s THR 57 Cb -0.06 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 1jpy s THR 57 CO -0.09 0.05 -0.13 0.86 -0.54 0.00 0.00 174.62 174.77 1jpy s TRP 58 N -1.32 1.11 -0.27 3.99 -0.00 -1.26 -1.89 118.94 119.31 1jpy s TRP 58 Ca 0.61 -0.29 -0.03 0.00 -0.00 0.00 0.00 56.10 56.38 1jpy s TRP 58 Cb -0.37 -0.68 0.15 0.00 -0.00 0.00 0.00 33.47 32.57 1jpy s TRP 58 CO 0.46 0.01 0.49 0.34 -0.00 0.00 0.00 176.95 178.25 1jpy s ASP 59 N -0.80 -0.58 0.00 5.86 -1.08 -0.76 -5.03 116.67 114.27 1jpy s ASP 59 Ca 0.02 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 52.89 1jpy s ASP 59 Cb -0.07 1.67 0.66 0.00 -1.46 0.00 0.00 42.92 43.72 1jpy s ASP 59 CO 0.00 -0.27 1.43 -0.81 0.52 0.00 0.00 175.17 176.05 1jpy n PRO 60 N 5.40 0.09 -0.44 4.34 -0.04 -1.26 -2.06 135.00 141.03 1jpy n PRO 60 Ca -0.04 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1jpy n PRO 60 Cb 0.50 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.72 1jpy n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jpy n ASN 61 N -1.41 3.88 -4.14 3.54 3.02 -1.26 -4.97 115.26 113.92 1jpy n ASN 61 Ca 0.05 -2.90 -0.19 0.00 -0.03 0.00 0.00 54.58 51.51 1jpy n ASN 61 Cb 0.15 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.67 1jpy n ASN 61 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jpy s ARG 62 N -2.61 0.88 -0.12 3.52 3.52 -0.88 -1.43 118.95 121.83 1jpy s ARG 62 Ca 0.41 -0.76 -0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1jpy s ARG 62 Cb 0.32 -0.88 0.02 0.00 -1.56 0.00 0.00 34.95 32.86 1jpy s ARG 62 CO 0.10 0.21 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.24 1jpy s TYR 63 N -0.90 1.64 0.42 5.12 6.14 0.67 -1.29 117.35 129.14 1jpy s TYR 63 Ca 0.01 -0.84 -0.24 0.00 0.64 0.00 0.00 57.07 56.64 1jpy s TYR 63 Cb -0.08 -1.31 -0.09 0.00 0.42 0.00 0.00 41.96 40.91 1jpy s TYR 63 CO 0.01 -0.53 1.08 -1.25 0.64 0.00 0.00 175.55 175.50 1jpy s PRO 64 N 1.58 4.05 0.23 4.97 0.04 -1.26 0.04 135.00 144.65 1jpy s PRO 64 Ca 0.03 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 1jpy s PRO 64 Cb -0.13 -2.50 0.26 0.00 0.04 0.00 0.00 34.50 32.18 1jpy s PRO 64 CO -0.08 -0.25 1.86 0.77 0.04 0.00 0.00 177.00 179.34 1jpy h SER 65 N 2.36 0.85 -3.78 6.66 0.02 -1.39 -3.40 113.55 114.87 1jpy h SER 65 Ca -0.49 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.80 1jpy h SER 65 Cb 1.22 -0.18 -0.18 0.00 0.14 0.00 0.00 62.40 63.40 1jpy h SER 65 CO 0.62 0.57 -0.48 -1.61 -1.14 0.00 0.00 176.83 174.78 1jpy s GLU 66 N -6.09 3.66 -0.22 3.45 2.02 -1.26 -1.83 118.70 118.42 1jpy s GLU 66 Ca -0.13 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.35 1jpy s GLU 66 Cb 0.17 -3.76 0.05 0.00 0.10 0.00 0.00 34.13 30.69 1jpy s GLU 66 CO 0.79 -0.35 -0.09 0.08 0.02 0.00 0.00 175.26 175.70 1jpy s VAL 67 N 1.75 1.69 -0.30 2.63 1.01 -0.79 -5.00 120.40 121.39 1jpy s VAL 67 Ca 0.07 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 1jpy s VAL 67 Cb -0.17 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1jpy s VAL 67 CO 0.11 0.07 0.93 -0.69 0.00 0.00 0.00 175.10 175.52 1jpy s VAL 68 N 1.35 4.67 -0.08 2.92 1.01 -1.26 -1.81 120.40 127.21 1jpy s VAL 68 Ca -0.04 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.44 1jpy s VAL 68 Cb -0.17 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1jpy s VAL 68 CO -0.07 -0.31 0.08 -1.10 0.00 0.00 0.00 175.10 173.70 1jpy s GLN 69 N 3.24 3.21 0.06 2.72 -1.52 0.79 -4.70 119.66 123.46 1jpy s GLN 69 Ca 0.39 -0.31 0.02 0.00 -1.95 0.00 0.00 55.36 53.51 1jpy s GLN 69 Cb -0.14 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 1jpy s GLN 69 CO 0.12 0.72 0.09 0.00 -0.25 0.00 0.00 175.29 175.98 1jpy s ALA 70 N -1.03 3.61 -0.05 6.09 0.00 -0.07 -0.25 121.76 130.05 1jpy s ALA 70 Ca 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1jpy s ALA 70 Cb -0.12 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1jpy s ALA 70 CO 0.06 0.74 -0.00 -1.14 0.00 0.00 0.00 175.76 175.42 1jpy s GLN 71 N -2.23 0.53 0.18 0.00 0.74 0.05 -4.74 119.66 114.20 1jpy s GLN 71 Ca 0.28 0.08 -0.32 0.00 0.05 0.00 0.00 55.36 55.45 1jpy s GLN 71 Cb -0.12 -0.80 -0.11 0.00 1.10 0.00 0.00 33.01 33.08 1jpy s GLN 71 CO 0.20 -0.22 1.69 0.00 -0.55 0.00 0.00 175.29 176.41 1jpy h ARG 73 N 7.03 0.10 -5.13 0.00 3.08 -1.46 -3.46 114.38 114.54 1jpy h ARG 73 Ca -0.43 -0.08 -0.46 0.00 0.07 0.00 0.00 59.98 59.09 1jpy h ARG 73 Cb 1.20 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.13 1jpy h ARG 73 CO 0.94 0.73 -0.60 -0.80 -1.07 0.00 0.00 179.97 179.18 1jpy s ASN 74 N -6.86 2.17 0.06 7.04 0.02 -1.26 -5.03 114.94 111.07 1jpy s ASN 74 Ca -0.02 -1.42 -0.05 0.00 -1.02 0.00 0.00 52.86 50.35 1jpy s ASN 74 Cb 0.12 0.05 -0.29 0.00 0.02 0.00 0.00 41.25 41.16 1jpy s ASN 74 CO 0.79 -0.68 1.09 0.25 0.02 0.00 0.00 177.10 178.57 1jpy h LEU 75 N 2.13 0.44 0.00 0.60 5.85 -1.90 -3.42 115.31 119.00 1jpy h LEU 75 Ca -0.39 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1jpy h LEU 75 Cb 1.25 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1jpy h LEU 75 CO 0.66 1.38 0.00 0.61 -0.34 0.00 0.00 178.44 180.75 1jpy n GLY 76 N 1.56 4.23 3.97 3.75 0.00 -1.26 -2.00 105.19 115.44 1jpy n GLY 76 Ca -0.10 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.59 1jpy n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy s ILE 78 N -2.27 4.84 0.18 0.00 -1.09 0.20 0.47 121.20 123.52 1jpy s ILE 78 Ca 0.48 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1jpy s ILE 78 Cb -0.09 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1jpy s ILE 78 CO 0.31 0.39 0.17 -0.46 -1.23 0.00 0.00 174.94 174.12 1jpy n ASN 79 N 1.29 1.31 -0.20 3.58 0.23 -0.26 -4.77 115.26 116.44 1jpy n ASN 79 Ca -0.14 -1.59 0.13 0.00 -0.53 0.00 0.00 54.58 52.46 1jpy n ASN 79 Cb 0.53 -0.05 0.45 0.00 -2.08 0.00 0.00 39.78 38.63 1jpy n ASN 79 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jpy h ALA 80 N 0.62 1.99 0.00 -2.53 0.00 -2.00 -1.55 119.26 115.78 1jpy h ALA 80 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1jpy h ALA 80 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jpy h ALA 80 CO 0.16 -0.20 -0.26 1.96 0.00 0.00 0.00 179.25 180.92 1jpy h GLN 81 N 0.53 0.00 0.00 0.00 7.50 -2.04 -3.46 115.11 117.64 1jpy h GLN 81 Ca 0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.54 1jpy h GLN 81 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 1jpy h GLN 81 CO -0.14 0.26 0.00 0.41 -1.50 0.00 0.00 178.83 177.86 1jpy n GLY 82 N 0.64 1.25 3.73 3.46 0.00 -0.58 -5.10 105.19 108.58 1jpy n GLY 82 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1jpy n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jpy s LYS 83 N -0.10 2.96 0.27 1.61 -0.14 -1.26 -4.84 119.74 118.24 1jpy s LYS 83 Ca 0.00 -0.50 -0.29 0.00 -1.36 0.00 0.00 55.97 53.82 1jpy s LYS 83 Cb 0.00 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 1jpy s LYS 83 CO 0.00 0.66 1.03 -2.00 -0.76 0.00 0.00 175.35 174.28 1jpy s GLU 84 N -1.45 4.70 -0.38 1.68 2.12 -1.26 -1.10 118.70 123.01 1jpy s GLU 84 Ca 0.19 1.65 0.04 0.00 0.36 0.00 0.00 54.97 57.21 1jpy s GLU 84 Cb -0.12 -3.17 0.11 0.00 0.26 0.00 0.00 34.13 31.21 1jpy s GLU 84 CO 0.09 0.31 0.10 0.34 -0.54 0.00 0.00 175.26 175.57 1jpy s ASP 85 N -1.06 4.59 0.00 -1.70 -1.08 0.18 -4.94 116.67 112.65 1jpy s ASP 85 Ca 0.44 -2.30 0.16 0.00 -0.52 0.00 0.00 52.55 50.32 1jpy s ASP 85 Cb -0.29 -1.55 0.93 0.00 -1.46 0.00 0.00 42.92 40.55 1jpy s ASP 85 CO 0.36 -0.35 1.35 2.30 0.52 0.00 0.00 175.17 179.35 1jpy n ILE 86 N 4.05 0.00 0.32 4.11 -5.35 -1.26 -1.50 119.36 119.72 1jpy n ILE 86 Ca 0.04 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.66 1jpy n ILE 86 Cb 0.40 -0.69 0.39 0.00 -1.74 0.00 0.00 39.64 38.00 1jpy n ILE 86 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1jpy h SER 87 N 0.00 0.00 -3.91 7.28 4.64 -1.96 -3.43 113.55 116.17 1jpy h SER 87 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1jpy h SER 87 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 1jpy h SER 87 CO 0.00 0.00 -0.76 -0.04 -0.87 0.00 0.00 176.83 175.16 1jpy s MET 88 N -3.34 2.63 -0.04 4.77 -1.94 -0.56 -4.31 119.30 116.52 1jpy s MET 88 Ca 0.06 -0.68 -0.02 0.00 -1.71 0.00 0.00 55.69 53.34 1jpy s MET 88 Cb 0.08 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 1jpy s MET 88 CO 0.60 0.58 0.09 -0.80 -0.01 0.00 0.00 175.02 175.48 1jpy s ASN 89 N -0.62 5.79 -0.34 3.03 0.02 -0.56 -2.71 114.94 119.56 1jpy s ASN 89 Ca 0.09 0.22 -0.14 0.00 -1.02 0.00 0.00 52.86 52.00 1jpy s ASN 89 Cb -0.11 -1.71 -0.02 0.00 0.02 0.00 0.00 41.25 39.43 1jpy s ASN 89 CO 0.01 0.31 0.33 -0.44 0.02 0.00 0.00 177.10 177.33 1jpy s SER 90 N -1.52 6.15 0.07 -1.22 0.01 -0.85 -0.63 113.70 115.72 1jpy s SER 90 Ca 0.21 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.30 1jpy s SER 90 Cb -0.12 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1jpy s SER 90 CO 0.11 -0.30 -0.22 0.68 0.41 0.00 0.00 173.24 173.93 1jpy s VAL 91 N 1.94 1.76 0.60 3.43 -7.23 -0.17 -4.86 120.40 115.88 1jpy s VAL 91 Ca 0.10 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1jpy s VAL 91 Cb -0.17 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1jpy s VAL 91 CO 0.11 0.10 1.03 -2.16 -0.31 0.00 0.00 175.10 173.87 1jpy s PRO 92 N -1.55 3.51 -0.19 4.82 0.04 -1.26 -1.19 135.00 139.18 1jpy s PRO 92 Ca 0.08 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1jpy s PRO 92 Cb -0.09 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1jpy s PRO 92 CO 0.03 -0.64 -0.18 0.42 0.04 0.00 0.00 177.00 176.68 1jpy s ILE 93 N -2.86 2.27 -0.14 0.56 1.01 -0.59 -4.87 121.20 116.58 1jpy s ILE 93 Ca 0.58 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1jpy s ILE 93 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1jpy s ILE 93 CO 0.45 0.52 0.03 -1.10 0.00 0.00 0.00 174.94 174.84 1jpy s GLN 94 N 1.31 3.58 -0.09 2.79 -0.21 -1.26 -1.01 119.66 124.76 1jpy s GLN 94 Ca 0.05 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 55.10 1jpy s GLN 94 Cb -0.13 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 1jpy s GLN 94 CO -0.11 0.45 -0.22 -1.14 -2.12 0.00 0.00 175.29 172.14 1jpy s GLN 95 N -0.15 2.93 -0.08 2.91 2.00 0.87 -4.96 119.66 123.18 1jpy s GLN 95 Ca 0.06 -0.85 -0.23 0.00 -2.00 0.00 0.00 55.36 52.34 1jpy s GLN 95 Cb -0.12 -2.31 -0.04 0.00 0.80 0.00 0.00 33.01 31.35 1jpy s GLN 95 CO 0.02 0.26 0.68 -2.00 -0.50 0.00 0.00 175.29 173.75 1jpy s GLU 96 N 0.15 4.41 0.34 1.67 2.12 -1.26 -0.08 118.70 126.05 1jpy s GLU 96 Ca -0.12 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.09 1jpy s GLU 96 Cb -0.16 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1jpy s GLU 96 CO 0.07 0.04 0.18 -0.08 -0.54 0.00 0.00 175.26 174.92 1jpy s THR 97 N 0.91 0.32 -0.02 -1.70 -1.32 0.38 -4.96 115.64 109.25 1jpy s THR 97 Ca 0.36 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.90 1jpy s THR 97 Cb -0.17 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1jpy s THR 97 CO 0.17 0.00 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.61 1jpy s LEU 98 N -3.45 2.03 0.05 9.08 1.02 -1.26 -1.40 118.68 124.75 1jpy s LEU 98 Ca 0.33 -0.38 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 1jpy s LEU 98 Cb 0.04 -1.07 -0.03 0.00 0.02 0.00 0.00 46.19 45.14 1jpy s LEU 98 CO 0.19 0.25 -0.04 0.68 0.02 0.00 0.00 176.35 177.45 1jpy s VAL 99 N -0.43 0.30 -0.20 -1.59 -7.23 -0.39 -4.89 120.40 105.97 1jpy s VAL 99 Ca 0.07 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1jpy s VAL 99 Cb -0.08 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1jpy s VAL 99 CO -0.00 -0.81 0.10 -0.69 -0.31 0.00 0.00 175.10 173.38 1jpy s VAL 100 N -3.09 5.02 -0.14 1.32 1.01 0.11 -0.72 120.40 123.91 1jpy s VAL 100 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1jpy s VAL 100 Cb 0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1jpy s VAL 100 CO -0.06 0.42 0.12 -0.60 0.00 0.00 0.00 175.10 174.98 1jpy s ARG 101 N 0.60 3.59 -0.36 2.72 3.52 0.18 -0.24 118.95 128.97 1jpy s ARG 101 Ca 0.05 -0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.31 1jpy s ARG 101 Cb -0.12 -3.21 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1jpy s ARG 101 CO 0.01 0.65 0.43 0.50 -0.81 0.00 0.00 175.30 176.08 1jpy s ARG 102 N -0.66 3.51 0.06 5.12 3.52 -0.52 0.17 118.95 130.16 1jpy s ARG 102 Ca 0.13 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1jpy s ARG 102 Cb -0.12 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1jpy s ARG 102 CO 0.02 -0.62 0.13 0.15 -0.81 0.00 0.00 175.30 174.17 1jpy s LYS 103 N 2.18 3.12 0.19 5.12 1.02 0.22 -4.93 119.74 126.66 1jpy s LYS 103 Ca 0.14 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.56 1jpy s LYS 103 Cb -0.16 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1jpy s LYS 103 CO 0.13 0.59 0.00 0.72 -0.92 0.00 0.00 175.35 175.87 1jpy n HIS 104 N 0.46 -1.65 -4.64 3.18 8.25 -1.26 -1.65 115.22 117.90 1jpy n HIS 104 Ca -0.08 0.85 -0.30 0.00 -0.26 0.00 0.00 57.72 57.94 1jpy n HIS 104 Cb 0.51 -1.50 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 1jpy n HIS 104 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1jpy s GLN 105 N -2.18 2.08 2.77 -0.41 2.00 -1.26 -4.76 119.66 117.90 1jpy s GLN 105 Ca 0.00 -2.31 0.00 0.00 -2.00 0.00 0.00 55.36 51.05 1jpy s GLN 105 Cb 0.00 -1.03 0.00 0.00 0.80 0.00 0.00 33.01 32.78 1jpy s GLN 105 CO 0.00 -0.45 0.00 0.41 -0.50 0.00 0.00 175.29 174.75 1jpy n GLY 106 N -1.10 -0.23 0.22 2.59 0.00 -1.26 -3.29 105.19 102.12 1jpy n GLY 106 Ca -0.13 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 44.99 1jpy n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy n SER 108 N -0.68 6.15 -4.75 0.00 3.41 -1.21 -4.93 113.62 111.62 1jpy n SER 108 Ca 0.14 -2.92 -0.41 0.00 -0.26 0.00 0.00 58.87 55.42 1jpy n SER 108 Cb 0.32 -1.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.17 1jpy n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jpy s VAL 109 N -1.80 3.57 0.21 -3.33 0.11 -1.26 -4.59 120.40 113.31 1jpy s VAL 109 Ca 0.24 1.46 -0.01 0.00 -2.93 0.00 0.00 61.98 60.75 1jpy s VAL 109 Cb 0.19 -3.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1jpy s VAL 109 CO -0.00 0.30 0.16 -0.94 -3.33 0.00 0.00 175.10 171.29 1jpy s SER 110 N -0.49 0.22 0.14 3.54 1.04 -0.66 -4.99 113.70 112.50 1jpy s SER 110 Ca 0.47 -1.39 0.06 0.00 0.48 0.00 0.00 55.95 55.58 1jpy s SER 110 Cb -0.32 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1jpy s SER 110 CO 0.39 -0.87 -0.14 -0.36 0.98 0.00 0.00 173.24 173.24 1jpy s PHE 111 N -4.11 1.46 -0.12 5.02 0.40 -1.26 0.71 117.98 120.08 1jpy s PHE 111 Ca 0.38 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 1jpy s PHE 111 Cb 0.06 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.88 1jpy s PHE 111 CO 0.13 0.18 0.32 -1.14 0.70 0.00 0.00 175.22 175.40 1jpy s GLN 112 N -2.93 0.36 0.45 0.44 0.74 0.13 -4.91 119.66 113.94 1jpy s GLN 112 Ca 0.12 0.45 -0.22 0.00 0.05 0.00 0.00 55.36 55.77 1jpy s GLN 112 Cb -0.04 0.16 -0.09 0.00 1.10 0.00 0.00 33.01 34.15 1jpy s GLN 112 CO 0.03 -0.05 1.04 -0.51 -0.55 0.00 0.00 175.29 175.25 1jpy s LEU 113 N 0.25 3.95 0.01 3.68 1.43 -1.26 0.51 118.68 127.25 1jpy s LEU 113 Ca -0.01 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.06 1jpy s LEU 113 Cb -0.03 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 1jpy s LEU 113 CO -0.00 -0.67 -0.04 -0.70 0.23 0.00 0.00 176.35 175.16 1jpy s GLU 114 N -2.98 0.34 -0.25 1.70 2.12 0.10 -4.84 118.70 114.90 1jpy s GLU 114 Ca 0.64 -0.30 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 1jpy s GLU 114 Cb -0.18 -0.25 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 1jpy s GLU 114 CO 0.22 0.06 0.11 0.21 -0.54 0.00 0.00 175.26 175.33 1jpy s LYS 115 N -0.52 3.82 -0.04 4.30 2.20 -1.26 -1.27 119.74 126.98 1jpy s LYS 115 Ca -0.03 -0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1jpy s LYS 115 Cb -0.04 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1jpy s LYS 115 CO -0.00 -0.11 -0.14 0.54 -0.36 0.00 0.00 175.35 175.27 1jpy s VAL 116 N 1.47 1.20 -0.05 4.02 0.11 -0.49 -4.96 120.40 121.69 1jpy s VAL 116 Ca 0.06 -0.60 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1jpy s VAL 116 Cb -0.15 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 1jpy s VAL 116 CO 0.06 0.35 0.54 -0.76 -3.33 0.00 0.00 175.10 171.96 1jpy s LEU 117 N 0.06 4.36 -0.06 2.54 1.43 -1.26 -0.47 118.68 125.28 1jpy s LEU 117 Ca -0.03 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 1jpy s LEU 117 Cb -0.10 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1jpy s LEU 117 CO 0.01 0.06 -0.24 -0.69 0.23 0.00 0.00 176.35 175.73 1jpy s VAL 118 N 0.13 2.14 -0.33 -1.59 1.01 0.88 -4.96 120.40 117.68 1jpy s VAL 118 Ca 0.29 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1jpy s VAL 118 Cb -0.17 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1jpy s VAL 118 CO 0.14 0.57 0.42 -0.89 0.00 0.00 0.00 175.10 175.34 1jpy s THR 119 N -0.18 5.11 -0.90 3.92 2.01 -1.26 -0.09 115.64 124.25 1jpy s THR 119 Ca -0.03 0.23 0.25 0.00 0.31 0.00 0.00 61.69 62.45 1jpy s THR 119 Cb -0.14 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 1jpy s THR 119 CO 0.04 -0.10 1.35 0.52 -0.69 0.00 0.00 174.62 175.74 1jpy n VAL 120 N 5.29 0.07 -2.30 3.82 0.31 -0.18 -0.90 118.33 124.45 1jpy n VAL 120 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1jpy n VAL 120 Cb 0.49 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 1jpy n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jpy n GLY 121 N 1.46 -1.20 3.29 2.92 0.00 -1.26 -4.87 105.19 105.54 1jpy n GLY 121 Ca 0.05 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 1jpy n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy s THR 123 N -2.14 1.14 -0.20 0.00 -1.32 -0.33 -4.78 115.64 108.01 1jpy s THR 123 Ca 0.13 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.57 1jpy s THR 123 Cb -0.05 -2.76 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 1jpy s THR 123 CO 0.05 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.42 1jpy s VAL 125 N 1.17 2.53 -0.22 0.00 -7.23 0.20 -4.99 120.40 111.86 1jpy s VAL 125 Ca 0.02 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.12 1jpy s VAL 125 Cb -0.14 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 1jpy s VAL 125 CO -0.00 -0.18 0.12 0.42 -0.31 0.00 0.00 175.10 175.15 1jpy s THR 126 N -2.54 5.14 0.76 5.32 -4.23 -1.26 -1.49 115.64 117.34 1jpy s THR 126 Ca 0.35 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1jpy s THR 126 Cb 0.01 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.54 1jpy s THR 126 CO 0.19 0.39 1.19 -2.16 -0.54 0.00 0.00 174.62 173.70 1jpy s PRO 127 N 0.80 1.94 0.00 3.99 0.04 -1.26 -4.95 135.00 135.56 1jpy s PRO 127 Ca 0.06 1.71 0.19 0.00 0.04 0.00 0.00 61.00 63.00 1jpy s PRO 127 Cb -0.13 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1jpy s PRO 127 CO 0.02 -1.97 1.11 1.55 0.04 0.00 0.00 177.00 177.75