#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 5.11 -0.39 1.61 0.15 -1.26 -5.07 113.70 113.86 2e9h s SER 2 Ca 0.00 -0.96 -0.10 0.00 0.70 0.00 0.00 55.95 55.59 2e9h s SER 2 Cb 0.00 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2e9h s SER 2 CO 0.00 -0.25 0.22 -0.44 1.20 0.00 0.00 173.24 173.97 2e9h s SER 3 N 1.42 5.68 0.00 5.45 0.01 -1.26 -5.04 113.70 119.97 2e9h s SER 3 Ca -0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2e9h s SER 3 Cb -0.18 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2e9h s SER 3 CO 0.02 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2e9h n GLY 4 N 4.96 0.87 3.90 3.44 0.00 -1.26 -5.11 105.19 112.00 2e9h n GLY 4 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9h s SER 5 N -0.54 6.24 0.20 1.61 0.01 -1.26 -5.02 113.70 114.95 2e9h s SER 5 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2e9h s SER 5 Cb 0.00 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2e9h s SER 5 CO 0.00 0.15 0.00 -1.20 0.41 0.00 0.00 173.24 172.60 2e9h n SER 6 N 0.15 0.23 -2.98 2.44 7.64 -1.26 -5.04 113.62 114.80 2e9h n SER 6 Ca -0.06 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.03 2e9h n SER 6 Cb 0.52 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2e9h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9h n GLY 7 N 2.19 0.55 3.64 0.23 0.00 -1.26 -5.14 105.19 105.40 2e9h n GLY 7 Ca 0.00 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2e9h n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2e9h n MET 8 N 2.66 1.38 -0.91 1.61 0.00 -1.26 -4.60 117.12 116.00 2e9h n MET 8 Ca 0.21 0.50 -0.29 0.00 -0.00 0.00 0.00 57.70 58.12 2e9h n MET 8 Cb 0.54 -2.18 0.22 0.00 0.00 0.00 0.00 33.22 31.80 2e9h n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2e9h s SER 9 N -0.83 1.38 0.11 6.12 0.01 -1.26 -4.46 113.70 114.77 2e9h s SER 9 Ca 0.66 1.09 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2e9h s SER 9 Cb -0.50 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2e9h s SER 9 CO 0.54 -3.89 -0.00 0.68 0.41 0.00 0.00 173.24 170.98 2e9h s VAL 10 N -2.78 0.36 0.11 3.43 -7.23 0.29 -4.89 120.40 109.69 2e9h s VAL 10 Ca 0.68 -1.90 -0.36 0.00 -1.81 0.00 0.00 61.98 58.59 2e9h s VAL 10 Cb -0.18 -1.85 -0.16 0.00 0.56 0.00 0.00 36.38 34.75 2e9h s VAL 10 CO 0.59 -0.69 1.32 0.59 -0.31 0.00 0.00 175.10 176.60 2e9h n ASN 11 N -0.06 1.70 -0.24 4.85 4.13 -1.26 -2.08 115.26 122.30 2e9h n ASN 11 Ca -0.09 1.12 0.22 0.00 1.68 0.00 0.00 54.58 57.51 2e9h n ASN 11 Cb 0.62 -1.21 0.41 0.00 -1.54 0.00 0.00 39.78 38.06 2e9h n ASN 11 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2e9h n VAL 12 N 2.38 -0.31 -4.27 2.41 0.31 -1.24 -4.43 118.33 113.17 2e9h n VAL 12 Ca 0.18 1.54 -0.15 0.00 -0.01 0.00 0.00 64.34 65.90 2e9h n VAL 12 Cb 0.21 -2.47 -0.10 0.00 -0.91 0.00 0.00 33.84 30.57 2e9h n VAL 12 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2e9h s ASN 13 N -4.69 1.32 -0.20 4.52 4.22 -1.26 -5.00 114.94 113.86 2e9h s ASN 13 Ca -0.07 -1.22 0.04 0.00 -2.14 0.00 0.00 52.86 49.47 2e9h s ASN 13 Cb 0.25 0.11 -0.21 0.00 1.28 0.00 0.00 41.25 42.67 2e9h s ASN 13 CO 0.58 -0.59 0.05 0.54 -2.04 0.00 0.00 177.10 175.65 2e9h n ARG 14 N -0.32 0.68 -0.65 3.55 3.00 -1.26 -4.35 116.66 117.32 2e9h n ARG 14 Ca -0.05 0.16 -0.05 0.00 -0.01 0.00 0.00 57.85 57.90 2e9h n ARG 14 Cb 0.64 -1.59 -0.01 0.00 0.00 0.00 0.00 32.46 31.50 2e9h n ARG 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2e9h n SER 15 N -3.19 5.60 -4.82 0.55 7.64 -1.26 -4.87 113.62 113.27 2e9h n SER 15 Ca -0.37 -2.57 -0.36 0.00 1.01 0.00 0.00 58.87 56.57 2e9h n SER 15 Cb 1.04 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e9h s VAL 16 N -0.44 5.44 -0.00 0.44 0.11 -1.26 -5.01 120.40 119.68 2e9h s VAL 16 Ca 0.13 0.26 -0.20 0.00 -2.93 0.00 0.00 61.98 59.24 2e9h s VAL 16 Cb 0.09 -3.45 -0.25 0.00 -1.53 0.00 0.00 36.38 31.23 2e9h s VAL 16 CO -0.01 0.55 1.06 -1.28 -3.33 0.00 0.00 175.10 172.09 2e9h h SER 17 N 5.62 0.55 -1.62 3.54 0.87 -1.97 -3.46 113.55 117.09 2e9h h SER 17 Ca -0.49 -0.80 -0.48 0.00 -1.23 0.00 0.00 61.79 58.78 2e9h h SER 17 Cb 1.20 -0.17 0.25 0.00 -0.44 0.00 0.00 62.40 63.24 2e9h h SER 17 CO 0.65 1.29 -2.01 -0.67 -0.53 0.00 0.00 176.83 175.57 2e9h n ASP 18 N -4.16 -2.88 0.00 6.23 -0.08 -1.26 -4.96 116.55 109.44 2e9h n ASP 18 Ca -0.11 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2e9h n ASP 18 Cb 0.73 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2e9h n ASP 18 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2e9h n GLN 19 N 0.60 3.47 -2.13 -0.67 7.27 -1.26 -4.76 117.38 119.90 2e9h n GLN 19 Ca -0.01 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.76 2e9h n GLN 19 Cb 0.69 -0.97 0.02 0.00 2.41 0.00 0.00 30.24 32.39 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2e9h n PHE 20 N -1.87 3.16 -1.34 3.69 3.01 -1.26 -5.01 117.46 117.83 2e9h n PHE 20 Ca 0.00 -2.74 -0.25 0.00 1.01 0.00 0.00 57.45 55.47 2e9h n PHE 20 Cb 0.43 -0.54 -0.18 0.00 -0.01 0.00 0.00 39.48 39.18 2e9h n PHE 20 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2e9h n TYR 21 N -0.59 0.16 -0.13 1.38 4.19 -1.26 -4.75 117.16 116.16 2e9h n TYR 21 Ca 0.46 0.11 -0.06 0.00 3.31 0.00 0.00 57.90 61.73 2e9h n TYR 21 Cb 0.62 -0.99 -0.05 0.00 0.49 0.00 0.00 39.34 39.42 2e9h n TYR 21 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2e9h h ARG 22 N 10.14 -0.08 -6.53 2.98 1.12 -2.02 -3.38 114.38 116.61 2e9h h ARG 22 Ca 0.01 0.01 -0.53 0.00 -1.11 0.00 0.00 59.98 58.36 2e9h h ARG 22 Cb 1.06 0.02 0.03 0.00 -0.01 0.00 0.00 29.97 31.07 2e9h h ARG 22 CO 1.39 -0.05 0.86 0.71 -3.11 0.00 0.00 179.97 179.77 2e9h s TYR 23 N -4.16 2.93 0.33 2.20 2.02 -1.26 -5.01 117.35 114.40 2e9h s TYR 23 Ca -0.06 0.66 0.06 0.00 -0.37 0.00 0.00 57.07 57.36 2e9h s TYR 23 Cb 0.04 -3.84 -0.07 0.00 -0.40 0.00 0.00 41.96 37.70 2e9h s TYR 23 CO 0.28 -3.14 -0.00 0.15 -1.57 0.00 0.00 175.55 171.26 2e9h s LYS 24 N 1.64 1.70 -0.14 -0.62 -0.14 -1.26 -3.71 119.74 117.21 2e9h s LYS 24 Ca 0.69 -1.92 -0.11 0.00 -1.36 0.00 0.00 55.97 53.27 2e9h s LYS 24 Cb -0.40 -1.21 0.04 0.00 -1.68 0.00 0.00 37.83 34.59 2e9h s LYS 24 CO 0.31 -0.06 0.36 0.00 -0.76 0.00 0.00 175.35 175.21 2e9h s MET 25 N -3.77 0.39 0.00 1.68 0.23 -0.88 -4.84 119.30 112.10 2e9h s MET 25 Ca 0.34 0.59 -0.30 0.00 -1.03 0.00 0.00 55.69 55.28 2e9h s MET 25 Cb 0.07 0.11 -0.06 0.00 -1.53 0.00 0.00 34.83 33.42 2e9h s MET 25 CO 0.15 -0.09 1.45 -1.25 -2.03 0.00 0.00 175.02 173.24 2e9h s PRO 26 N 0.64 4.26 -0.34 3.16 0.04 -1.26 -0.55 135.00 140.94 2e9h s PRO 26 Ca -0.04 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 2e9h s PRO 26 Cb -0.05 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.79 2e9h s PRO 26 CO -0.04 -0.62 2.25 0.54 0.04 0.00 0.00 177.00 179.17 2e9h n ARG 27 N 5.54 1.34 -1.26 4.56 1.74 -1.26 -4.73 116.66 122.59 2e9h n ARG 27 Ca 0.14 0.33 -0.38 0.00 -0.77 0.00 0.00 57.85 57.16 2e9h n ARG 27 Cb 0.43 -2.81 0.03 0.00 -1.02 0.00 0.00 32.46 29.09 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2e9h n LEU 28 N 11.24 -2.64 -4.35 0.55 -0.00 -1.26 -4.98 117.00 115.56 2e9h n LEU 28 Ca 0.38 0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 56.71 2e9h n LEU 28 Cb 0.33 -0.94 -0.14 0.00 -0.00 0.00 0.00 43.42 42.68 2e9h n LEU 28 CO 0.73 -4.44 -0.56 -0.63 -0.00 0.00 0.00 177.39 172.49 2e9h s ILE 29 N -1.94 2.11 -0.02 1.47 1.01 -1.26 -4.99 121.20 117.58 2e9h s ILE 29 Ca 0.58 -1.55 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2e9h s ILE 29 Cb -0.44 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2e9h s ILE 29 CO 0.65 0.19 -0.13 0.00 0.00 0.00 0.00 174.94 175.65 2e9h s ALA 30 N -0.95 1.16 -0.08 9.38 0.00 -1.26 -2.90 121.76 127.11 2e9h s ALA 30 Ca 0.12 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2e9h s ALA 30 Cb -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2e9h s ALA 30 CO 0.04 0.25 -0.23 0.21 0.00 0.00 0.00 175.76 176.02 2e9h s LYS 31 N -0.12 2.81 0.06 0.00 2.20 -0.95 -4.81 119.74 118.93 2e9h s LYS 31 Ca 0.01 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.78 2e9h s LYS 31 Cb -0.07 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.96 2e9h s LYS 31 CO 0.00 0.30 -0.09 0.08 -0.36 0.00 0.00 175.35 175.28 2e9h s VAL 32 N 0.06 0.68 0.09 4.02 1.01 -1.26 -2.07 120.40 122.93 2e9h s VAL 32 Ca -0.10 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.64 2e9h s VAL 32 Cb -0.16 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2e9h s VAL 32 CO 0.06 -0.44 -0.12 -1.61 0.00 0.00 0.00 175.10 172.98 2e9h s GLU 33 N -2.03 0.83 0.00 2.72 8.01 -1.26 -5.04 118.70 121.94 2e9h s GLU 33 Ca -0.04 -1.05 0.00 0.00 0.01 0.00 0.00 54.97 53.88 2e9h s GLU 33 Cb -0.07 -0.68 0.00 0.00 -4.31 0.00 0.00 34.13 29.06 2e9h s GLU 33 CO -0.00 0.13 0.00 0.41 0.01 0.00 0.00 175.26 175.81 2e9h n GLY 34 N 0.92 0.54 3.15 -1.39 0.00 -1.26 -4.19 105.19 102.95 2e9h n GLY 34 Ca -0.19 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.15 2e9h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9h s LYS 35 N 0.00 0.42 0.00 1.61 -2.85 -1.26 -4.79 119.74 112.88 2e9h s LYS 35 Ca 0.00 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 2e9h s LYS 35 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2e9h s LYS 35 CO 0.00 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.35 2e9h n GLY 36 N 5.43 3.26 2.12 0.59 0.00 -1.26 -4.87 105.19 110.46 2e9h n GLY 36 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2e9h n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e9h n ASN 37 N 0.06 5.83 0.00 1.61 5.15 -1.26 -4.72 115.26 121.92 2e9h n ASN 37 Ca 0.00 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.23 2e9h n ASN 37 Cb 0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2e9h n GLY 38 N -0.96 1.85 3.68 8.20 0.00 -1.26 -5.03 105.19 111.68 2e9h n GLY 38 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 3.98 -0.00 -0.61 2.07 -1.26 -4.84 121.20 118.53 2e9h s ILE 39 Ca 0.00 1.30 -0.09 0.00 -1.41 0.00 0.00 60.65 60.45 2e9h s ILE 39 Cb 0.00 -3.84 0.01 0.00 0.13 0.00 0.00 42.46 38.76 2e9h s ILE 39 CO 0.00 -0.03 0.17 -1.59 -1.91 0.00 0.00 174.94 171.58 2e9h s LYS 40 N 2.66 0.51 -0.37 3.50 -2.85 -1.26 -4.00 119.74 117.94 2e9h s LYS 40 Ca 0.60 -0.34 -0.15 0.00 -1.00 0.00 0.00 55.97 55.09 2e9h s LYS 40 Cb -0.28 0.22 -0.00 0.00 -2.06 0.00 0.00 37.83 35.71 2e9h s LYS 40 CO 0.23 -0.13 0.33 0.99 0.10 0.00 0.00 175.35 176.87 2e9h s THR 41 N -1.32 5.21 -0.36 3.79 2.01 -0.58 -4.27 115.64 120.11 2e9h s THR 41 Ca -0.14 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 2e9h s THR 41 Cb -0.07 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2e9h s THR 41 CO 0.02 -0.16 0.18 -0.69 -0.69 0.00 0.00 174.62 173.27 2e9h s VAL 42 N 1.88 4.37 -1.24 3.82 1.01 -0.88 -0.49 120.40 128.87 2e9h s VAL 42 Ca 0.09 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 2e9h s VAL 42 Cb -0.17 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2e9h s VAL 42 CO 0.11 -0.20 1.83 -0.63 0.00 0.00 0.00 175.10 176.21 2e9h s ILE 43 N 1.52 3.84 0.26 2.22 1.01 -1.17 -2.23 121.20 126.63 2e9h s ILE 43 Ca 0.01 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.21 2e9h s ILE 43 Cb -0.19 -4.89 0.23 0.00 0.01 0.00 0.00 42.46 37.62 2e9h s ILE 43 CO 0.06 -1.52 1.81 0.58 0.00 0.00 0.00 174.94 175.86 2e9h h VAL 44 N 5.88 0.87 -1.04 2.92 2.07 -1.81 -1.59 116.25 123.55 2e9h h VAL 44 Ca 0.33 -0.27 -0.53 0.00 0.82 0.00 0.00 66.70 67.05 2e9h h VAL 44 Cb 0.90 0.01 -0.20 0.00 -1.52 0.00 0.00 31.29 30.48 2e9h h VAL 44 CO 1.35 0.15 0.60 -3.20 0.02 0.00 0.00 177.57 176.48 2e9h n ASN 45 N -4.74 6.86 -0.05 0.57 5.15 -1.24 -4.44 115.26 117.37 2e9h n ASN 45 Ca 0.15 -3.37 -0.20 0.00 -0.60 0.00 0.00 54.58 50.56 2e9h n ASN 45 Cb 0.33 -1.11 -0.13 0.00 -0.53 0.00 0.00 39.78 38.33 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 2.40 0.10 -0.43 1.20 1.85 -1.59 -3.27 114.93 115.18 2e9h h MET 46 Ca 0.43 -0.17 -0.06 0.00 -0.61 0.00 0.00 59.70 59.29 2e9h h MET 46 Cb 0.67 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.75 2e9h h MET 46 CO 1.06 1.08 0.02 0.28 -0.40 0.00 0.00 176.91 178.96 2e9h h VAL 47 N -0.72 1.26 0.08 -5.77 2.07 -1.82 -2.66 116.25 108.69 2e9h h VAL 47 Ca -0.25 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 2e9h h VAL 47 Cb 1.42 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2e9h h VAL 47 CO -0.06 0.34 -0.09 -0.78 0.02 0.00 0.00 177.57 177.00 2e9h h ASP 48 N 0.58 -0.26 -0.91 0.57 1.82 -1.87 -1.93 116.42 114.42 2e9h h ASP 48 Ca 0.12 0.02 0.26 0.00 -0.39 0.00 0.00 57.03 57.04 2e9h h ASP 48 Cb 0.45 0.09 -0.14 0.00 0.68 0.00 0.00 39.33 40.40 2e9h h ASP 48 CO 0.02 -0.12 0.30 -0.37 -1.61 0.00 0.00 179.24 177.46 2e9h h VAL 49 N -0.18 0.30 0.21 2.25 -1.51 -1.64 -1.04 116.25 114.64 2e9h h VAL 49 Ca -0.01 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 65.39 2e9h h VAL 49 Cb 0.16 0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 29.33 2e9h h VAL 49 CO -0.02 0.04 -0.52 0.00 -1.23 0.00 0.00 177.57 175.85 2e9h h ALA 50 N 1.81 -1.03 -0.77 5.19 0.00 -1.12 -1.73 119.26 121.60 2e9h h ALA 50 Ca 0.60 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.54 2e9h h ALA 50 Cb 1.25 0.86 -0.14 0.00 0.00 0.00 0.00 17.79 19.75 2e9h h ALA 50 CO -0.65 -1.14 -0.11 0.87 0.00 0.00 0.00 179.25 178.22 2e9h h LYS 51 N -0.81 0.04 -0.75 0.00 6.56 -0.41 0.60 116.57 121.79 2e9h h LYS 51 Ca -0.02 -0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 2e9h h LYS 51 Cb 0.78 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.38 2e9h h LYS 51 CO -0.23 0.02 0.49 0.00 -2.06 0.00 0.00 179.45 177.68 2e9h h ALA 52 N 1.75 1.80 -0.20 3.86 0.00 -1.12 0.18 119.26 125.53 2e9h h ALA 52 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e9h h ALA 52 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2e9h h ALA 52 CO -0.75 0.04 0.00 1.28 0.00 0.00 0.00 179.25 179.83 2e9h n LEU 53 N -4.50 2.41 -2.60 0.00 4.77 0.20 -4.86 117.00 112.43 2e9h n LEU 53 Ca 0.12 -1.22 -0.05 0.00 -0.03 0.00 0.00 56.01 54.84 2e9h n LEU 53 Cb 0.32 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2e9h n LEU 53 CO 0.33 0.37 -0.04 0.59 -1.33 0.00 0.00 177.39 177.31 2e9h n ASN 54 N 0.21 -1.66 -3.97 -1.43 3.02 0.62 -4.87 115.26 107.16 2e9h n ASN 54 Ca 0.09 0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 54.89 2e9h n ASN 54 Cb 0.52 -1.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.06 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e9h s ARG 55 N -5.13 0.38 0.57 3.52 0.52 -1.05 -5.03 118.95 112.73 2e9h s ARG 55 Ca 0.05 -0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 54.42 2e9h s ARG 55 Cb -0.03 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.54 2e9h s ARG 55 CO 0.06 -0.07 1.12 -1.25 0.02 0.00 0.00 175.30 175.18 2e9h s PRO 56 N -1.76 3.25 0.00 3.54 0.04 -1.26 -3.75 135.00 135.05 2e9h s PRO 56 Ca -0.13 1.56 0.14 0.00 0.04 0.00 0.00 61.00 62.62 2e9h s PRO 56 Cb -0.07 -1.99 0.61 0.00 0.04 0.00 0.00 34.50 33.08 2e9h s PRO 56 CO -0.02 -0.93 1.45 -0.35 0.04 0.00 0.00 177.00 177.20 2e9h n PRO 57 N -1.53 0.01 0.18 0.56 -0.04 -1.26 -2.60 135.00 130.32 2e9h n PRO 57 Ca 0.11 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.86 2e9h n PRO 57 Cb 0.51 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.81 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 1.05 0.32 0.52 1.35 -1.96 0.08 112.91 114.27 2e9h h THR 58 Ca 0.00 -1.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.32 2e9h h THR 58 Cb 0.24 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2e9h h THR 58 CO 0.00 0.40 -0.15 1.88 -0.25 0.00 0.00 175.52 177.39 2e9h h TYR 59 N 0.00 -0.40 0.06 4.73 0.05 -1.89 -3.03 116.97 116.49 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.85 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.72 2e9h h TYR 59 CO 0.00 -0.07 -0.03 -1.00 -1.05 0.00 0.00 178.16 176.01 2e9h h PRO 60 N -0.96 -0.08 -0.70 4.88 0.13 -1.72 -2.93 132.00 130.62 2e9h h PRO 60 Ca -0.04 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.23 2e9h h PRO 60 Cb 0.51 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.52 2e9h h PRO 60 CO 0.07 0.38 -0.20 1.15 -0.23 0.00 0.00 178.00 179.17 2e9h h THR 61 N -0.57 0.27 -0.88 1.56 2.02 -1.13 0.27 112.91 114.45 2e9h h THR 61 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2e9h h THR 61 Cb 0.49 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2e9h h THR 61 CO 0.01 0.00 0.51 0.11 0.37 0.00 0.00 175.52 176.52 2e9h h LYS 62 N -0.02 1.21 0.21 6.66 1.79 -1.59 -2.96 116.57 121.87 2e9h h LYS 62 Ca 0.33 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2e9h h LYS 62 Cb 0.53 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2e9h h LYS 62 CO -0.73 0.86 -0.24 -0.92 -1.08 0.00 0.00 179.45 177.34 2e9h h TYR 63 N 1.22 -0.64 -0.95 -1.35 3.20 -0.30 -2.43 116.97 115.71 2e9h h TYR 63 Ca 0.31 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.45 2e9h h TYR 63 Cb -0.02 0.25 -0.17 0.00 1.54 0.00 0.00 36.73 38.33 2e9h h TYR 63 CO 0.01 -0.35 0.07 0.74 -1.64 0.00 0.00 178.16 176.99 2e9h h PHE 64 N -0.50 0.04 -0.76 -3.82 0.04 -1.09 0.76 116.94 111.61 2e9h h PHE 64 Ca 0.00 0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 2e9h h PHE 64 Cb 0.48 0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 2e9h h PHE 64 CO -0.18 -0.39 0.35 0.78 -0.60 0.00 0.00 178.31 178.27 2e9h h GLY 65 N 0.04 1.17 0.68 -1.45 0.00 -1.46 0.12 103.07 102.18 2e9h h GLY 65 Ca 0.58 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2e9h h GLY 65 CO -0.86 0.55 -0.37 0.00 0.00 0.00 0.00 176.54 175.86 2e9h h GLU 67 N -0.97 0.86 0.00 0.00 4.39 -1.42 -2.12 114.58 115.31 2e9h h GLU 67 Ca -0.09 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 2e9h h GLU 67 Cb 0.76 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2e9h h GLU 67 CO 0.12 0.63 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.20 2e9h h LEU 68 N 0.85 0.00 -0.90 1.33 3.38 -0.70 -3.47 115.31 115.80 2e9h h LEU 68 Ca 0.22 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2e9h h LEU 68 Cb 0.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.82 2e9h h LEU 68 CO -0.04 0.33 -0.31 0.61 0.09 0.00 0.00 178.44 179.12 2e9h n GLY 69 N -0.33 0.26 3.35 0.83 0.00 0.44 -5.03 105.19 104.71 2e9h n GLY 69 Ca -0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h s ALA 70 N -3.14 2.06 0.52 4.61 0.00 -0.72 -5.04 121.76 120.06 2e9h s ALA 70 Ca 0.27 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.44 2e9h s ALA 70 Cb -0.12 1.19 -0.00 0.00 0.00 0.00 0.00 23.12 24.18 2e9h s ALA 70 CO 0.33 -0.53 0.80 -0.65 0.00 0.00 0.00 175.76 175.71 2e9h s GLN 71 N -3.71 3.07 0.07 0.00 -1.52 -1.26 -4.64 119.66 111.67 2e9h s GLN 71 Ca 0.35 -0.14 -0.00 0.00 -1.95 0.00 0.00 55.36 53.62 2e9h s GLN 71 Cb 0.04 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 2e9h s GLN 71 CO 0.19 -0.47 -0.03 0.95 -0.25 0.00 0.00 175.29 175.69 2e9h s THR 72 N -2.79 0.34 -0.11 -0.19 -4.23 -1.26 -1.57 115.64 105.82 2e9h s THR 72 Ca 0.51 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2e9h s THR 72 Cb -0.10 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2e9h s THR 72 CO 0.42 -0.90 -0.23 -1.58 -0.54 0.00 0.00 174.62 171.80 2e9h s GLN 73 N -3.91 3.03 -0.29 3.99 0.74 -0.56 -4.98 119.66 117.68 2e9h s GLN 73 Ca 0.11 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.63 2e9h s GLN 73 Cb 0.07 -2.33 0.04 0.00 1.10 0.00 0.00 33.01 31.89 2e9h s GLN 73 CO -0.07 0.12 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.71 2e9h s PHE 74 N 0.49 3.22 -0.57 1.67 0.40 -1.26 -2.67 117.98 119.25 2e9h s PHE 74 Ca -0.15 -1.80 0.05 0.00 -0.60 0.00 0.00 56.93 54.43 2e9h s PHE 74 Cb -0.17 -2.09 0.20 0.00 0.51 0.00 0.00 43.02 41.46 2e9h s PHE 74 CO 0.06 -0.79 0.51 -0.25 0.70 0.00 0.00 175.22 175.45 2e9h n ASP 75 N 4.63 1.85 -0.12 1.36 9.92 -1.13 -4.94 116.55 128.12 2e9h n ASP 75 Ca -0.14 -2.96 0.14 0.00 -0.53 0.00 0.00 54.79 51.30 2e9h n ASP 75 Cb 0.44 -0.67 0.51 0.00 -0.64 0.00 0.00 41.12 40.76 2e9h n ASP 75 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2e9h h VAL 76 N 3.91 0.84 -0.90 2.53 2.07 -1.95 -1.82 116.25 120.93 2e9h h VAL 76 Ca 0.18 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 67.75 2e9h h VAL 76 Cb 0.79 0.41 -0.17 0.00 -1.52 0.00 0.00 31.29 30.80 2e9h h VAL 76 CO 0.61 0.07 -0.20 0.50 0.02 0.00 0.00 177.57 178.57 2e9h h LYS 77 N 0.40 0.00 -0.27 1.57 3.64 -1.95 0.19 116.57 120.15 2e9h h LYS 77 Ca 0.32 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 2e9h h LYS 77 Cb 0.72 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 2e9h h LYS 77 CO -0.09 0.00 -0.04 0.09 -2.27 0.00 0.00 179.45 177.14 2e9h n ASN 78 N -5.56 3.09 -4.15 4.20 3.02 -0.87 -4.97 115.26 110.02 2e9h n ASN 78 Ca 0.14 -3.36 -0.28 0.00 -0.03 0.00 0.00 54.58 51.05 2e9h n ASN 78 Cb 0.47 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N -0.89 0.76 -4.16 6.41 9.92 0.66 -4.91 116.55 124.35 2e9h n ASP 79 Ca 0.26 -1.16 -0.33 0.00 -0.53 0.00 0.00 54.79 53.03 2e9h n ASP 79 Cb 0.92 -1.44 -0.16 0.00 -0.64 0.00 0.00 41.12 39.80 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9h s ARG 80 N -6.99 3.02 -0.19 -1.24 1.70 -0.94 -4.95 118.95 109.37 2e9h s ARG 80 Ca 0.01 -0.84 -0.01 0.00 -0.47 0.00 0.00 55.73 54.42 2e9h s ARG 80 Cb -0.01 -2.50 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 2e9h s ARG 80 CO 0.91 -0.08 -0.12 0.71 -1.08 0.00 0.00 175.30 175.63 2e9h s TYR 81 N 0.98 2.85 0.06 5.89 1.51 -1.26 -2.81 117.35 124.57 2e9h s TYR 81 Ca -0.03 -1.17 0.08 0.00 -1.01 0.00 0.00 57.07 54.93 2e9h s TYR 81 Cb -0.15 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2e9h s TYR 81 CO -0.06 -0.59 -0.18 0.42 -1.11 0.00 0.00 175.55 174.03 2e9h s ILE 82 N 1.19 2.82 -0.22 2.71 1.01 -1.09 -3.07 121.20 124.56 2e9h s ILE 82 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.40 2e9h s ILE 82 Cb -0.14 -2.22 0.06 0.00 0.01 0.00 0.00 42.46 40.17 2e9h s ILE 82 CO -0.05 0.27 -0.05 -0.69 0.00 0.00 0.00 174.94 174.42 2e9h s VAL 83 N -0.99 1.37 0.58 2.92 1.01 0.36 -1.49 120.40 124.15 2e9h s VAL 83 Ca 0.16 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 2e9h s VAL 83 Cb -0.11 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 2e9h s VAL 83 CO 0.07 -0.06 0.87 0.59 0.00 0.00 0.00 175.10 176.57 2e9h n ASN 84 N 4.74 0.41 0.00 3.32 3.02 -0.61 -1.53 115.26 124.62 2e9h n ASN 84 Ca -0.12 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2e9h n ASN 84 Cb 0.45 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 85 N 1.39 0.87 3.63 7.41 0.00 -1.26 -4.72 105.19 112.51 2e9h n GLY 85 Ca 0.13 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 2e9h n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 86 N -1.12 6.20 -0.03 1.61 1.04 -1.26 -1.97 113.70 118.18 2e9h s SER 86 Ca 0.00 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 2e9h s SER 86 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.96 2e9h s SER 86 CO 0.00 -0.07 0.13 -1.00 0.98 0.00 0.00 173.24 173.28 2e9h s HIS 87 N 1.58 -0.05 -0.07 5.02 3.76 -1.26 -5.01 115.29 119.25 2e9h s HIS 87 Ca 0.12 0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.02 2e9h s HIS 87 Cb -0.15 -0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 2e9h s HIS 87 CO 0.08 -0.17 0.30 -1.83 -0.85 0.00 0.00 174.74 172.28 2e9h s GLU 88 N -0.62 3.85 0.25 1.40 -1.05 -1.26 -4.85 118.70 116.42 2e9h s GLU 88 Ca -0.07 0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.91 2e9h s GLU 88 Cb -0.04 -3.26 0.52 0.00 -0.44 0.00 0.00 34.13 30.91 2e9h s GLU 88 CO 0.01 0.61 1.35 0.00 0.95 0.00 0.00 175.26 178.18 2e9h n ALA 89 N 2.26 0.32 -0.27 -0.84 0.00 -1.26 0.16 120.51 120.89 2e9h n ALA 89 Ca -0.15 0.94 0.06 0.00 0.00 0.00 0.00 53.44 54.29 2e9h n ALA 89 Cb 0.53 -0.62 0.20 0.00 0.00 0.00 0.00 19.45 19.56 2e9h n ALA 89 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2e9h h ASN 90 N 0.00 0.32 0.05 0.00 4.21 -1.93 -0.17 115.58 118.05 2e9h h ASN 90 Ca 0.47 0.11 -0.00 0.00 1.21 0.00 0.00 56.30 58.08 2e9h h ASN 90 Cb 0.84 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 2e9h h ASN 90 CO -0.85 0.11 -0.02 0.50 -1.29 0.00 0.00 177.43 175.88 2e9h h LYS 91 N 0.46 -0.06 -0.58 0.81 1.63 0.12 -2.14 116.57 116.82 2e9h h LYS 91 Ca 0.43 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.32 2e9h h LYS 91 Cb 0.67 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.25 2e9h h LYS 91 CO -0.41 0.13 0.21 -0.07 -3.45 0.00 0.00 179.45 175.86 2e9h h LEU 92 N -0.23 0.21 -0.65 5.20 3.38 -0.70 -0.20 115.31 122.31 2e9h h LEU 92 Ca -0.01 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2e9h h LEU 92 Cb 0.21 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2e9h h LEU 92 CO 0.01 0.14 0.41 -0.61 0.09 0.00 0.00 178.44 178.47 2e9h h GLN 93 N 0.40 0.79 0.06 1.13 5.75 -0.95 0.21 115.11 122.49 2e9h h GLN 93 Ca 0.29 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2e9h h GLN 93 Cb 0.34 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2e9h h GLN 93 CO -0.29 0.52 -0.03 0.22 -2.65 0.00 0.00 178.83 176.60 2e9h h ASP 94 N 0.81 -0.06 0.62 -0.69 1.82 -0.61 -0.83 116.42 117.47 2e9h h ASP 94 Ca 0.26 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2e9h h ASP 94 Cb -0.00 0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.03 2e9h h ASP 94 CO -0.09 0.08 -0.30 0.24 -1.61 0.00 0.00 179.24 177.56 2e9h h MET 95 N -0.21 -0.80 -1.00 0.28 2.86 -0.82 -2.88 114.93 112.35 2e9h h MET 95 Ca -0.01 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 2e9h h MET 95 Cb 0.18 0.18 -0.10 0.00 0.06 0.00 0.00 31.60 31.92 2e9h h MET 95 CO 0.01 -0.51 0.61 1.25 1.06 0.00 0.00 176.91 179.34 2e9h h LEU 96 N -0.90 0.76 -0.94 1.22 5.85 -0.62 -1.41 115.31 119.27 2e9h h LEU 96 Ca -0.09 0.09 0.21 0.00 0.84 0.00 0.00 57.88 58.94 2e9h h LEU 96 Cb 0.66 -0.04 -0.18 0.00 0.37 0.00 0.00 40.66 41.47 2e9h h LEU 96 CO 0.14 0.27 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.58 2e9h h ASP 97 N 0.74 -0.73 -0.28 1.25 3.58 -0.91 0.26 116.42 120.33 2e9h h ASP 97 Ca 0.57 0.28 0.05 0.00 0.42 0.00 0.00 57.03 58.35 2e9h h ASP 97 Cb 0.92 0.54 -0.05 0.00 1.72 0.00 0.00 39.33 42.47 2e9h h ASP 97 CO -0.37 -0.31 -0.04 1.23 -2.88 0.00 0.00 179.24 176.87 2e9h h GLY 98 N 0.01 0.23 0.84 -0.78 0.00 -1.33 0.53 103.07 102.58 2e9h h GLY 98 Ca 0.49 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.92 2e9h h GLY 98 CO -0.94 -0.09 0.35 -2.75 0.00 0.00 0.00 176.54 173.12 2e9h h PHE 99 N 0.04 0.66 0.00 5.60 3.04 -0.64 -1.02 116.94 124.62 2e9h h PHE 99 Ca 0.13 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2e9h h PHE 99 Cb 0.19 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2e9h h PHE 99 CO -0.24 0.37 0.00 0.82 -2.02 0.00 0.00 178.31 177.23 2e9h h ILE 100 N 0.69 0.00 0.00 1.41 2.04 -0.66 0.43 117.51 121.43 2e9h h ILE 100 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2e9h h ILE 100 Cb 0.05 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2e9h h ILE 100 CO -0.11 0.00 -0.04 0.11 0.00 0.00 0.00 178.15 178.11 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.79 0.13 0.25 116.57 121.12 2e9h h LYS 101 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2e9h h LYS 101 Cb 0.70 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2e9h h LYS 101 CO 0.00 0.00 -1.00 0.36 -1.08 0.00 0.00 179.45 177.73 2e9h n LYS 102 N -2.55 0.17 0.00 3.15 2.85 -0.76 -4.41 118.16 116.62 2e9h n LYS 102 Ca 0.05 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2e9h n LYS 102 Cb 0.47 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 2e9h n LYS 102 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2e9h n PHE 103 N -3.55 0.00 0.00 5.58 3.01 0.15 -4.41 117.46 118.25 2e9h n PHE 103 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2e9h n PHE 103 Cb 0.43 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 2e9h n PHE 103 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2e9h n VAL 104 N -1.91 0.00 -1.18 -4.37 0.31 -1.20 -4.77 118.33 105.21 2e9h n VAL 104 Ca 0.00 1.28 -0.32 0.00 -0.01 0.00 0.00 64.34 65.30 2e9h n VAL 104 Cb 0.00 -2.28 0.11 0.00 -0.91 0.00 0.00 33.84 30.76 2e9h n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2e9h s LEU 105 N -2.79 3.05 -0.09 7.52 1.43 0.89 -4.40 118.68 124.30 2e9h s LEU 105 Ca 0.00 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 2e9h s LEU 105 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 2e9h s LEU 105 CO 0.00 -2.31 0.30 0.00 0.23 0.00 0.00 176.35 174.57 2e9h n PRO 107 N 2.51 0.49 0.00 0.00 -0.04 -1.26 0.17 135.00 136.86 2e9h n PRO 107 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2e9h n PRO 107 Cb 0.53 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.76 0.00 -0.00 0.54 -0.58 -1.26 -4.85 120.64 113.72 2e9h n GLU 108 Ca 0.06 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 2e9h n GLU 108 Cb 0.03 -0.53 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -1.65 -6.44 -4.18 0.00 4.71 0.44 -4.82 120.64 108.69 2e9h n GLU 110 Ca -0.01 0.73 -0.35 0.00 -0.01 0.00 0.00 57.16 57.52 2e9h n GLU 110 Cb 0.21 -5.44 -0.09 0.00 -1.01 0.00 0.00 31.44 25.10 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2e9h s ASN 111 N -3.67 5.56 0.00 1.62 2.47 -1.26 -4.38 114.94 115.27 2e9h s ASN 111 Ca 0.29 0.19 0.12 0.00 0.42 0.00 0.00 52.86 53.87 2e9h s ASN 111 Cb -0.13 -1.74 0.72 0.00 -1.45 0.00 0.00 41.25 38.65 2e9h s ASN 111 CO 0.64 0.32 1.15 -0.81 -3.72 0.00 0.00 177.10 174.68 2e9h n PRO 112 N 2.52 0.49 -3.39 0.43 -0.04 -1.26 -3.01 135.00 130.74 2e9h n PRO 112 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 2e9h n PRO 112 Cb 0.54 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.00 3.67 0.28 0.54 2.02 -1.26 -4.88 118.70 117.06 2e9h s GLU 113 Ca 0.18 -2.77 0.01 0.00 0.02 0.00 0.00 54.97 52.41 2e9h s GLU 113 Cb 0.08 -4.36 -0.03 0.00 0.10 0.00 0.00 34.13 29.92 2e9h s GLU 113 CO 0.14 -1.26 0.26 0.95 0.02 0.00 0.00 175.26 175.37 2e9h s THR 114 N -0.43 0.00 0.04 3.63 -4.23 -1.26 -4.53 115.64 108.85 2e9h s THR 114 Ca 0.23 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2e9h s THR 114 Cb -0.11 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 2e9h s THR 114 CO -0.08 0.00 -0.09 -1.81 -0.54 0.00 0.00 174.62 172.10 2e9h s ASP 115 N -3.25 1.01 -0.07 3.99 1.01 -1.24 -5.05 116.67 113.08 2e9h s ASP 115 Ca 0.37 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 53.19 2e9h s ASP 115 Cb 0.04 -0.00 -0.01 0.00 1.01 0.00 0.00 42.92 43.95 2e9h s ASP 115 CO 0.19 -0.13 -0.21 -0.76 0.21 0.00 0.00 175.17 174.48 2e9h s LEU 116 N -1.35 2.32 0.14 1.23 1.43 -1.26 -2.71 118.68 118.48 2e9h s LEU 116 Ca -0.06 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.73 2e9h s LEU 116 Cb -0.09 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2e9h s LEU 116 CO 0.01 0.25 -0.24 -1.00 0.23 0.00 0.00 176.35 175.60 2e9h s HIS 117 N -0.19 2.38 0.07 0.29 3.76 0.22 -5.00 115.29 116.82 2e9h s HIS 117 Ca -0.02 -0.34 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 2e9h s HIS 117 Cb -0.14 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 2e9h s HIS 117 CO 0.03 0.38 -0.20 0.54 -0.85 0.00 0.00 174.74 174.64 2e9h s VAL 118 N -1.18 2.67 -0.21 -0.90 0.11 -1.26 -1.94 120.40 117.69 2e9h s VAL 118 Ca 0.16 -1.34 -0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2e9h s VAL 118 Cb -0.10 -2.15 0.06 0.00 -1.53 0.00 0.00 36.38 32.67 2e9h s VAL 118 CO 0.08 0.26 0.03 0.21 -3.33 0.00 0.00 175.10 172.34 2e9h s ASN 119 N -1.65 3.14 0.28 3.54 3.84 -1.10 -4.99 114.94 117.99 2e9h s ASN 119 Ca 0.15 -0.94 0.06 0.00 0.21 0.00 0.00 52.86 52.34 2e9h s ASN 119 Cb -0.10 -0.70 0.39 0.00 -0.55 0.00 0.00 41.25 40.29 2e9h s ASN 119 CO 0.06 -0.31 1.66 1.55 -2.79 0.00 0.00 177.10 177.28 2e9h h PRO 120 N 8.19 0.24 0.17 0.43 0.13 -1.93 0.38 132.00 139.62 2e9h h PRO 120 Ca -0.16 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2e9h h PRO 120 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2e9h h PRO 120 CO 0.36 0.66 -0.08 0.87 -0.23 0.00 0.00 178.00 179.58 2e9h h LYS 121 N 0.20 -0.22 0.00 0.86 1.79 -1.97 -3.29 116.57 113.93 2e9h h LYS 121 Ca 0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2e9h h LYS 121 Cb 0.90 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2e9h h LYS 121 CO 0.07 0.08 0.00 0.87 -1.08 0.00 0.00 179.45 179.39 2e9h h LYS 122 N -0.99 0.00 -6.32 3.15 6.56 -1.99 -3.46 116.57 113.51 2e9h h LYS 122 Ca -0.02 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.09 2e9h h LYS 122 Cb 0.41 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.03 2e9h h LYS 122 CO 0.04 0.00 -0.79 1.04 -2.06 0.00 0.00 179.45 177.68 2e9h n GLN 123 N -2.41 -5.02 -4.23 3.15 1.13 0.13 -4.97 117.38 105.17 2e9h n GLN 123 Ca 0.03 0.57 -0.13 0.00 -1.94 0.00 0.00 57.00 55.53 2e9h n GLN 123 Cb 0.32 -5.32 -0.10 0.00 0.11 0.00 0.00 30.24 25.25 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.42 0.82 -0.30 5.09 -4.23 -1.15 -4.99 115.64 107.46 2e9h s THR 124 Ca 0.50 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2e9h s THR 124 Cb -0.25 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.67 2e9h s THR 124 CO 0.84 -0.66 0.10 -0.63 -0.54 0.00 0.00 174.62 173.73 2e9h s ILE 125 N -3.55 4.10 0.38 2.99 1.01 -1.26 -2.73 121.20 122.14 2e9h s ILE 125 Ca 0.19 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.24 2e9h s ILE 125 Cb 0.05 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2e9h s ILE 125 CO 0.01 0.05 0.32 -0.83 0.00 0.00 0.00 174.94 174.49 2e9h s GLY 126 N 1.52 2.02 0.09 6.18 0.00 -0.82 -1.14 107.32 115.17 2e9h s GLY 126 Ca 0.03 -1.82 -0.10 0.00 0.00 0.00 0.00 44.72 42.83 2e9h s GLY 126 CO 0.03 -1.67 0.22 0.54 0.00 0.00 0.00 173.10 172.22 2e9h s ASN 127 N -4.06 0.07 -0.19 1.64 2.20 -1.07 -0.61 114.94 112.93 2e9h s ASN 127 Ca 0.45 -0.60 -0.04 0.00 -0.94 0.00 0.00 52.86 51.73 2e9h s ASN 127 Cb -0.04 0.36 0.09 0.00 -2.00 0.00 0.00 41.25 39.66 2e9h s ASN 127 CO 0.27 -0.74 0.23 -0.94 -2.94 0.00 0.00 177.10 172.98 2e9h s SER 128 N -2.84 1.13 0.05 3.54 1.04 -1.10 -3.26 113.70 112.25 2e9h s SER 128 Ca 0.04 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 2e9h s SER 128 Cb 0.04 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 2e9h s SER 128 CO -0.11 -0.31 0.28 0.00 0.98 0.00 0.00 173.24 174.08 2e9h n LYS 130 N 0.73 1.29 -0.26 0.00 2.85 -1.26 -3.21 118.16 118.30 2e9h n LYS 130 Ca -0.08 0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.09 2e9h n LYS 130 Cb 0.52 -1.33 -0.09 0.00 -0.65 0.00 0.00 35.03 33.48 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2e9h h ALA 131 N 0.37 -0.64 0.00 0.58 0.00 -1.95 -3.32 119.26 114.30 2e9h h ALA 131 Ca -0.35 0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.31 2e9h h ALA 131 Cb 1.69 1.22 -0.05 0.00 0.00 0.00 0.00 17.79 20.65 2e9h h ALA 131 CO -0.01 -1.00 -2.10 0.00 0.00 0.00 0.00 179.25 176.14 2e9h n GLY 133 N 2.24 0.70 3.54 0.00 0.00 -1.23 -5.12 105.19 105.31 2e9h n GLY 133 Ca -0.36 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -0.17 3.17 -0.08 1.61 6.14 -1.20 -4.93 117.35 121.90 2e9h s TYR 134 Ca 0.00 -0.13 -0.01 0.00 0.64 0.00 0.00 57.07 57.56 2e9h s TYR 134 Cb 0.00 -2.24 0.03 0.00 0.42 0.00 0.00 41.96 40.17 2e9h s TYR 134 CO 0.00 -0.16 0.01 1.03 0.64 0.00 0.00 175.55 177.06 2e9h s ARG 135 N 1.33 0.58 0.01 4.97 3.00 -1.26 -0.70 118.95 126.88 2e9h s ARG 135 Ca 0.06 0.10 -0.19 0.00 0.00 0.00 0.00 55.73 55.70 2e9h s ARG 135 Cb -0.15 -1.01 0.06 0.00 0.00 0.00 0.00 34.95 33.86 2e9h s ARG 135 CO 0.05 -0.32 0.85 0.41 0.00 0.00 0.00 175.30 176.29 2e9h n GLY 136 N 5.15 0.44 3.61 -3.53 0.00 -1.20 -5.06 105.19 104.60 2e9h n GLY 136 Ca -0.07 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 2e9h n GLY 136 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 137 N -2.01 4.00 0.28 1.61 0.23 -1.26 -2.58 119.30 119.57 2e9h s MET 137 Ca 0.20 -0.19 -0.30 0.00 -1.03 0.00 0.00 55.69 54.37 2e9h s MET 137 Cb -0.01 -3.63 -0.10 0.00 -1.53 0.00 0.00 34.83 29.56 2e9h s MET 137 CO 0.00 -0.15 1.46 -0.51 -2.03 0.00 0.00 175.02 173.79 2e9h s LEU 138 N 1.69 4.38 -0.83 0.18 1.43 -0.30 -4.95 118.68 120.28 2e9h s LEU 138 Ca 0.10 2.77 -0.18 0.00 -1.03 0.00 0.00 54.13 55.78 2e9h s LEU 138 Cb -0.15 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.57 2e9h s LEU 138 CO 0.09 -0.74 0.98 -1.81 0.23 0.00 0.00 176.35 175.10 2e9h s ASP 139 N 0.24 6.54 -0.12 2.29 1.11 -1.26 -4.62 116.67 120.85 2e9h s ASP 139 Ca 0.58 -1.95 0.02 0.00 0.18 0.00 0.00 52.55 51.38 2e9h s ASP 139 Cb -0.43 -2.35 0.01 0.00 1.07 0.00 0.00 42.92 41.22 2e9h s ASP 139 CO 0.47 -1.03 -0.17 0.42 1.18 0.00 0.00 175.17 176.05 2e9h s THR 140 N 2.39 1.64 1.00 -1.27 -4.23 -1.26 -5.12 115.64 108.79 2e9h s THR 140 Ca 0.26 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 2e9h s THR 140 Cb -0.10 -1.48 -0.13 0.00 1.34 0.00 0.00 72.50 72.12 2e9h s THR 140 CO -0.05 0.47 -0.78 0.00 -0.54 0.00 0.00 174.62 173.72 2e9h n HIS 141 N 4.18 -4.25 0.03 3.99 1.44 -1.26 -4.75 115.22 114.59 2e9h n HIS 141 Ca -0.19 0.09 -0.07 0.00 -2.01 0.00 0.00 57.72 55.54 2e9h n HIS 141 Cb 0.51 -1.46 0.03 0.00 0.12 0.00 0.00 29.99 29.20 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2e9h n HIS 142 N -2.78 0.73 -0.09 -1.40 8.25 -1.26 -3.90 115.22 114.77 2e9h n HIS 142 Ca -0.01 -1.07 -0.11 0.00 -0.26 0.00 0.00 57.72 56.28 2e9h n HIS 142 Cb 0.59 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 2e9h n HIS 142 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e9h n LYS 143 N 0.43 0.52 -0.09 -0.41 4.01 -1.26 -4.58 118.16 116.78 2e9h n LYS 143 Ca 0.14 0.29 -0.15 0.00 -0.51 0.00 0.00 58.31 58.08 2e9h n LYS 143 Cb 0.68 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 33.64 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2e9h n LEU 144 N -4.47 1.86 -0.60 -0.35 7.94 -1.26 -4.21 117.00 115.91 2e9h n LEU 144 Ca -0.17 0.49 0.45 0.00 -1.11 0.00 0.00 56.01 55.67 2e9h n LEU 144 Cb 0.51 -0.89 0.70 0.00 0.53 0.00 0.00 43.42 44.27 2e9h n LEU 144 CO 0.17 -0.03 1.26 0.00 -1.11 0.00 0.00 177.39 177.68 2e9h h THR 146 N 0.00 1.00 0.18 0.00 2.02 -1.81 -2.51 112.91 111.79 2e9h h THR 146 Ca 0.80 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.86 2e9h h THR 146 Cb 3.19 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 70.68 2e9h h THR 146 CO -0.04 0.03 -0.09 0.15 0.37 0.00 0.00 175.52 175.95 2e9h h PHE 147 N -0.10 -0.22 -0.84 3.16 3.04 0.85 -2.74 116.94 120.09 2e9h h PHE 147 Ca -0.01 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.15 2e9h h PHE 147 Cb 0.09 0.07 -0.14 0.00 2.56 0.00 0.00 35.95 38.53 2e9h h PHE 147 CO -0.06 -0.12 0.20 0.82 -2.02 0.00 0.00 178.31 177.12 2e9h h ILE 148 N -0.25 0.35 -0.94 1.41 2.04 -1.46 0.38 117.51 119.04 2e9h h ILE 148 Ca -0.02 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2e9h h ILE 148 Cb 0.19 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 2e9h h ILE 148 CO 0.04 0.04 0.62 -0.07 0.00 0.00 0.00 178.15 178.78 2e9h h LEU 149 N 0.21 1.06 -0.37 1.44 3.38 -1.16 -2.60 115.31 117.27 2e9h h LEU 149 Ca 0.51 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2e9h h LEU 149 Cb 0.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2e9h h LEU 149 CO -0.63 0.76 0.05 0.11 0.09 0.00 0.00 178.44 178.82 2e9h h LYS 150 N 1.25 0.63 -4.76 1.13 1.57 -0.09 -3.39 116.57 112.92 2e9h h LYS 150 Ca 0.35 -0.17 -0.67 0.00 -1.87 0.00 0.00 60.65 58.29 2e9h h LYS 150 Cb -0.12 -0.07 -0.38 0.00 0.08 0.00 0.00 32.23 31.74 2e9h h LYS 150 CO -0.08 0.70 -0.74 -0.80 -0.57 0.00 0.00 179.45 177.95 2e9h s ASN 151 N -6.06 4.68 0.84 0.86 0.01 -0.26 -5.11 114.94 109.90 2e9h s ASN 151 Ca -0.13 -1.78 -0.11 0.00 -0.71 0.00 0.00 52.86 50.13 2e9h s ASN 151 Cb 0.10 -1.62 0.10 0.00 0.41 0.00 0.00 41.25 40.23 2e9h s ASN 151 CO 0.77 -0.30 1.09 -2.16 -1.51 0.00 0.00 177.10 174.99 2e9h s PRO 152 N 1.02 1.71 0.57 -0.60 0.04 -1.21 -4.56 135.00 131.98 2e9h s PRO 152 Ca 0.01 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 2e9h s PRO 152 Cb -0.20 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2e9h s PRO 152 CO -0.06 -1.97 1.12 -1.25 0.04 0.00 0.00 177.00 174.88 2e9h s PRO 153 N -4.92 3.23 0.19 0.56 0.04 -1.26 -4.97 135.00 127.87 2e9h s PRO 153 Ca 0.62 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 2e9h s PRO 153 Cb -0.18 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2e9h s PRO 153 CO 0.57 -0.94 1.53 -2.00 0.04 0.00 0.00 177.00 176.20 2e9h s GLU 154 N -3.48 4.23 -0.57 4.56 2.12 -1.26 -4.98 118.70 119.32 2e9h s GLU 154 Ca 0.71 2.35 0.04 0.00 0.36 0.00 0.00 54.97 58.43 2e9h s GLU 154 Cb -0.23 -3.14 0.14 0.00 0.26 0.00 0.00 34.13 31.16 2e9h s GLU 154 CO 0.30 -0.56 0.33 1.21 -0.54 0.00 0.00 175.26 176.00 2e9h s ASN 155 N 0.92 4.45 -0.04 -1.70 3.84 -1.26 -5.08 114.94 116.08 2e9h s ASN 155 Ca 0.67 -3.26 0.06 0.00 0.21 0.00 0.00 52.86 50.55 2e9h s ASN 155 Cb -0.43 -1.64 -0.02 0.00 -0.55 0.00 0.00 41.25 38.61 2e9h s ASN 155 CO 0.35 -0.19 -0.23 -0.44 -2.79 0.00 0.00 177.10 173.80 2e9h s SER 156 N -0.63 3.24 0.00 -4.21 0.01 -1.26 -5.32 113.70 105.53 2e9h s SER 156 Ca 0.19 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2e9h s SER 156 Cb -0.20 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2e9h s SER 156 CO -0.05 0.30 0.43 0.47 0.41 0.00 0.00 173.24 174.80