#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 2.04 -0.00 1.61 1.04 -1.26 -5.17 113.70 111.97 2e9h s SER 2 Ca 0.00 -1.39 0.02 0.00 0.48 0.00 0.00 55.95 55.05 2e9h s SER 2 Cb 0.00 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2e9h s SER 2 CO 0.00 -0.66 -0.06 -0.44 0.98 0.00 0.00 173.24 173.06 2e9h s SER 3 N -3.44 0.67 -0.13 7.02 0.01 -1.26 -5.11 113.70 111.45 2e9h s SER 3 Ca 0.36 -0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.20 2e9h s SER 3 Cb 0.08 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2e9h s SER 3 CO 0.15 0.05 1.51 -0.83 0.41 0.00 0.00 173.24 174.53 2e9h s GLY 4 N -0.22 1.50 0.25 3.44 0.00 -1.26 -4.94 107.32 106.09 2e9h s GLY 4 Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.11 2e9h s GLY 4 CO -0.00 2.84 0.77 -1.14 0.00 0.00 0.00 173.10 175.57 2e9h n SER 5 N 7.26 0.07 -4.38 1.64 3.41 -1.26 -4.88 113.62 115.49 2e9h n SER 5 Ca 0.16 1.15 -0.46 0.00 -0.26 0.00 0.00 58.87 59.46 2e9h n SER 5 Cb 0.44 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 2e9h n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e9h s SER 6 N -0.77 6.75 -0.93 4.04 0.01 -1.26 -4.95 113.70 116.59 2e9h s SER 6 Ca 0.61 -2.51 -0.02 0.00 1.31 0.00 0.00 55.95 55.34 2e9h s SER 6 Cb -0.80 -2.28 0.26 0.00 0.21 0.00 0.00 66.02 63.40 2e9h s SER 6 CO 0.58 -0.73 1.00 0.61 0.41 0.00 0.00 173.24 175.11 2e9h n GLY 7 N 4.45 4.52 3.70 3.44 0.00 -1.26 -5.04 105.19 114.99 2e9h n GLY 7 Ca 0.18 -2.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 2e9h n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e9h s MET 8 N -1.92 4.44 0.21 1.61 1.00 -1.26 -5.04 119.30 118.34 2e9h s MET 8 Ca 0.31 1.58 0.11 0.00 0.00 0.00 0.00 55.69 57.69 2e9h s MET 8 Cb -0.01 -3.47 -0.05 0.00 0.00 0.00 0.00 34.83 31.31 2e9h s MET 8 CO -0.04 -0.27 -0.21 0.45 0.00 0.00 0.00 175.02 174.95 2e9h s SER 9 N 1.17 3.27 0.38 3.03 0.15 -1.26 -4.37 113.70 116.06 2e9h s SER 9 Ca 0.54 -0.92 0.08 0.00 0.70 0.00 0.00 55.95 56.35 2e9h s SER 9 Cb -0.24 -0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 63.77 2e9h s SER 9 CO 0.25 0.05 0.03 0.68 1.20 0.00 0.00 173.24 175.44 2e9h s VAL 10 N -2.06 2.27 0.27 4.45 -7.23 -0.91 -4.94 120.40 112.26 2e9h s VAL 10 Ca 0.22 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 2e9h s VAL 10 Cb -0.06 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.90 2e9h s VAL 10 CO 0.10 -0.09 1.44 0.20 -0.31 0.00 0.00 175.10 176.44 2e9h s ASN 11 N -3.73 6.62 0.25 4.85 -0.87 -1.26 -2.92 114.94 117.88 2e9h s ASN 11 Ca 0.36 2.72 0.00 0.00 -1.57 0.00 0.00 52.86 54.37 2e9h s ASN 11 Cb 0.05 -2.63 0.59 0.00 -0.02 0.00 0.00 41.25 39.23 2e9h s ASN 11 CO 0.19 -0.71 1.30 0.52 -2.57 0.00 0.00 177.10 175.83 2e9h n VAL 12 N 1.99 -0.35 -4.09 1.60 0.31 -1.26 -4.29 118.33 112.24 2e9h n VAL 12 Ca 0.06 1.85 -0.29 0.00 -0.01 0.00 0.00 64.34 65.94 2e9h n VAL 12 Cb 0.40 -2.67 -0.07 0.00 -0.91 0.00 0.00 33.84 30.60 2e9h n VAL 12 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2e9h s ASN 13 N -5.05 5.38 -0.25 4.52 0.01 -1.26 -5.01 114.94 113.28 2e9h s ASN 13 Ca -0.11 -0.11 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 2e9h s ASN 13 Cb 0.24 -1.38 0.47 0.00 0.41 0.00 0.00 41.25 40.99 2e9h s ASN 13 CO 0.65 0.13 1.51 0.54 -1.51 0.00 0.00 177.10 178.43 2e9h n ARG 14 N 0.18 2.39 -0.01 -0.60 5.12 -1.26 -3.84 116.66 118.65 2e9h n ARG 14 Ca -0.09 -2.01 0.00 0.00 -1.93 0.00 0.00 57.85 53.82 2e9h n ARG 14 Cb 0.53 -1.85 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 2e9h n ARG 14 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2e9h n SER 15 N -0.26 4.42 -4.64 0.55 2.88 -1.26 -4.99 113.62 110.32 2e9h n SER 15 Ca 0.33 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.50 2e9h n SER 15 Cb 1.15 0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 65.41 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e9h s VAL 16 N -2.13 5.25 -0.05 2.46 0.11 -1.25 -4.95 120.40 119.84 2e9h s VAL 16 Ca -0.01 0.14 0.22 0.00 -2.93 0.00 0.00 61.98 59.40 2e9h s VAL 16 Cb 0.01 -3.45 -0.31 0.00 -1.53 0.00 0.00 36.38 31.10 2e9h s VAL 16 CO 0.10 0.35 0.52 -0.24 -3.33 0.00 0.00 175.10 172.50 2e9h n SER 17 N 4.34 0.07 -4.22 3.54 2.88 -1.26 -4.80 113.62 114.17 2e9h n SER 17 Ca -0.15 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 2e9h n SER 17 Cb 0.52 1.86 0.06 0.00 -0.75 0.00 0.00 64.21 65.90 2e9h n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e9h n ASP 18 N -2.30 -3.89 -1.24 -3.46 9.92 -1.26 -4.90 116.55 109.42 2e9h n ASP 18 Ca -0.04 0.36 -0.05 0.00 -0.53 0.00 0.00 54.79 54.52 2e9h n ASP 18 Cb 0.57 -0.96 0.20 0.00 -0.64 0.00 0.00 41.12 40.29 2e9h n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9h n GLN 19 N 0.77 1.92 -0.01 -1.24 10.64 -1.26 -4.46 117.38 123.74 2e9h n GLN 19 Ca 0.04 -3.16 0.07 0.00 -1.83 0.00 0.00 57.00 52.11 2e9h n GLN 19 Cb 0.53 -1.85 -0.12 0.00 -0.86 0.00 0.00 30.24 27.94 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2e9h n PHE 20 N -1.10 0.00 -1.45 2.61 3.01 -1.26 -4.96 117.46 114.32 2e9h n PHE 20 Ca 0.35 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.31 2e9h n PHE 20 Cb 1.08 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 40.11 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 -2.06 1.54 0.38 1.38 4.19 -1.26 -4.85 117.16 116.49 2e9h n TYR 21 Ca -0.04 0.27 -0.17 0.00 3.31 0.00 0.00 57.90 61.27 2e9h n TYR 21 Cb 0.42 -2.53 -0.09 0.00 0.49 0.00 0.00 39.34 37.64 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 12.76 -0.93 -6.85 2.98 2.43 -1.99 -3.43 114.38 119.35 2e9h h ARG 22 Ca -0.26 0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.43 2e9h h ARG 22 Cb 1.32 0.21 0.10 0.00 -0.42 0.00 0.00 29.97 31.18 2e9h h ARG 22 CO 1.04 -0.59 0.78 0.66 -1.51 0.00 0.00 179.97 180.35 2e9h n TYR 23 N -5.46 2.84 -4.07 2.20 4.01 -1.26 -5.01 117.16 110.40 2e9h n TYR 23 Ca -0.13 0.38 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 2e9h n TYR 23 Cb 0.40 -2.54 -0.10 0.00 -0.31 0.00 0.00 39.34 36.79 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N -1.39 0.77 -0.08 -0.72 -0.14 -1.26 -4.14 119.74 112.77 2e9h s LYS 24 Ca 0.58 -1.26 -0.16 0.00 -1.36 0.00 0.00 55.97 53.78 2e9h s LYS 24 Cb -0.50 0.24 0.04 0.00 -1.68 0.00 0.00 37.83 35.93 2e9h s LYS 24 CO 0.57 -0.19 0.39 0.00 -0.76 0.00 0.00 175.35 175.36 2e9h s MET 25 N -3.96 0.62 0.47 1.68 0.23 -1.15 -4.92 119.30 112.27 2e9h s MET 25 Ca 0.13 0.21 -0.22 0.00 -1.03 0.00 0.00 55.69 54.77 2e9h s MET 25 Cb 0.07 0.29 -0.07 0.00 -1.53 0.00 0.00 34.83 33.59 2e9h s MET 25 CO -0.06 -0.14 1.16 -1.25 -2.03 0.00 0.00 175.02 172.70 2e9h s PRO 26 N -0.60 3.70 -0.54 3.16 0.04 -1.26 -2.14 135.00 137.37 2e9h s PRO 26 Ca -0.07 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2e9h s PRO 26 Cb -0.04 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.17 2e9h s PRO 26 CO 0.03 -0.60 1.43 1.03 0.04 0.00 0.00 177.00 178.93 2e9h s ARG 27 N -2.78 3.33 0.48 4.56 3.00 -1.26 -4.83 118.95 121.45 2e9h s ARG 27 Ca 0.65 0.55 -0.19 0.00 0.00 0.00 0.00 55.73 56.73 2e9h s ARG 27 Cb -0.28 -4.11 -0.14 0.00 0.00 0.00 0.00 34.95 30.41 2e9h s ARG 27 CO 0.34 -1.90 0.07 1.47 0.00 0.00 0.00 175.30 175.28 2e9h n LEU 28 N 9.54 -2.60 -4.51 2.53 -0.00 -1.26 -4.97 117.00 115.72 2e9h n LEU 28 Ca 0.13 0.73 -0.25 0.00 -0.00 0.00 0.00 56.01 56.63 2e9h n LEU 28 Cb 0.49 -0.92 -0.10 0.00 -0.00 0.00 0.00 43.42 42.89 2e9h n LEU 28 CO 0.71 -4.26 -0.45 -0.63 -0.00 0.00 0.00 177.39 172.76 2e9h s ILE 29 N -1.84 2.76 -0.05 1.47 1.01 -1.26 -4.86 121.20 118.44 2e9h s ILE 29 Ca 0.60 -2.13 0.01 0.00 0.00 0.00 0.00 60.65 59.12 2e9h s ILE 29 Cb -0.54 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.53 2e9h s ILE 29 CO 0.63 -0.30 -0.03 0.00 0.00 0.00 0.00 174.94 175.23 2e9h s ALA 30 N -2.20 0.68 -0.18 9.38 0.00 -1.26 -2.59 121.76 125.59 2e9h s ALA 30 Ca 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2e9h s ALA 30 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2e9h s ALA 30 CO 0.15 -0.12 0.03 0.21 0.00 0.00 0.00 175.76 176.04 2e9h s LYS 31 N 1.15 3.84 0.01 0.00 2.20 -0.68 -4.72 119.74 121.54 2e9h s LYS 31 Ca -0.07 -0.42 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 2e9h s LYS 31 Cb -0.14 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 2e9h s LYS 31 CO -0.01 0.21 -0.15 0.08 -0.36 0.00 0.00 175.35 175.11 2e9h s VAL 32 N 0.52 1.22 0.07 4.02 1.01 -1.26 -0.35 120.40 125.64 2e9h s VAL 32 Ca 0.01 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2e9h s VAL 32 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2e9h s VAL 32 CO 0.02 0.24 -0.16 -1.61 0.00 0.00 0.00 175.10 173.58 2e9h s GLU 33 N -0.63 0.95 1.62 2.72 2.02 -1.25 -5.00 118.70 119.14 2e9h s GLU 33 Ca 0.05 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2e9h s GLU 33 Cb -0.07 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.12 2e9h s GLU 33 CO 0.00 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2e9h n GLY 34 N 1.34 0.33 3.11 -1.39 0.00 -1.26 -3.85 105.19 103.47 2e9h n GLY 34 Ca -0.20 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 0.54 0.00 1.61 -2.85 -1.26 -4.74 119.74 113.04 2e9h s LYS 35 Ca 0.00 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 2e9h s LYS 35 Cb 0.00 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2e9h s LYS 35 CO 0.00 -0.76 0.00 0.41 0.10 0.00 0.00 175.35 175.10 2e9h n GLY 36 N 5.42 2.09 1.77 0.59 0.00 -1.26 -4.76 105.19 109.03 2e9h n GLY 36 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2e9h n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2e9h n ASN 37 N 1.24 5.28 0.00 1.61 6.94 -1.26 -4.51 115.26 124.55 2e9h n ASN 37 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 2e9h n ASN 37 Cb 0.00 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 36.51 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2e9h n GLY 38 N 0.13 1.88 3.68 4.83 0.00 -1.26 -5.01 105.19 109.43 2e9h n GLY 38 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 4.04 0.02 -0.61 2.07 -1.25 -4.83 121.20 118.64 2e9h s ILE 39 Ca 0.00 1.36 -0.02 0.00 -1.41 0.00 0.00 60.65 60.58 2e9h s ILE 39 Cb 0.00 -3.87 -0.02 0.00 0.13 0.00 0.00 42.46 38.70 2e9h s ILE 39 CO 0.00 -0.04 0.02 -1.59 -1.91 0.00 0.00 174.94 171.42 2e9h s LYS 40 N 2.69 0.39 -0.23 3.50 -2.85 -1.26 -3.41 119.74 118.58 2e9h s LYS 40 Ca 0.59 -0.62 -0.09 0.00 -1.00 0.00 0.00 55.97 54.85 2e9h s LYS 40 Cb -0.27 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 2e9h s LYS 40 CO 0.22 -0.08 0.12 0.99 0.10 0.00 0.00 175.35 176.71 2e9h s THR 41 N -1.71 5.01 -0.40 3.79 2.01 -1.08 -3.86 115.64 119.40 2e9h s THR 41 Ca -0.13 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 2e9h s THR 41 Cb -0.07 -3.32 0.09 0.00 0.01 0.00 0.00 72.50 69.20 2e9h s THR 41 CO -0.01 0.37 0.20 -0.69 -0.69 0.00 0.00 174.62 173.79 2e9h s VAL 42 N 1.04 3.67 -1.02 3.82 1.01 0.52 -0.14 120.40 129.30 2e9h s VAL 42 Ca 0.06 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.15 2e9h s VAL 42 Cb -0.14 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2e9h s VAL 42 CO 0.04 -0.51 2.00 -0.63 0.00 0.00 0.00 175.10 176.00 2e9h s ILE 43 N 1.29 3.41 0.10 2.22 1.01 -1.01 -1.68 121.20 126.54 2e9h s ILE 43 Ca 0.04 -0.53 -0.34 0.00 0.00 0.00 0.00 60.65 59.81 2e9h s ILE 43 Cb -0.22 -4.15 -0.15 0.00 0.01 0.00 0.00 42.46 37.95 2e9h s ILE 43 CO -0.01 -0.80 1.54 0.58 0.00 0.00 0.00 174.94 176.26 2e9h h VAL 44 N 6.81 0.00 0.00 2.92 2.07 -1.79 -2.39 116.25 123.86 2e9h h VAL 44 Ca 0.13 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.40 2e9h h VAL 44 Cb 0.98 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2e9h h VAL 44 CO 1.18 0.00 0.20 0.59 0.02 0.00 0.00 177.57 179.55 2e9h n ASN 45 N -5.43 5.49 0.04 0.57 4.13 -1.26 -4.16 115.26 114.64 2e9h n ASN 45 Ca -0.09 -2.46 0.04 0.00 1.68 0.00 0.00 54.58 53.75 2e9h n ASN 45 Cb 0.42 -1.38 -0.07 0.00 -1.54 0.00 0.00 39.78 37.21 2e9h n ASN 45 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2e9h n MET 46 N 2.67 0.62 -0.09 3.52 0.00 -0.90 -3.50 117.12 119.44 2e9h n MET 46 Ca 0.46 0.15 -0.20 0.00 -0.00 0.00 0.00 57.70 58.10 2e9h n MET 46 Cb 0.80 -1.78 -0.12 0.00 0.00 0.00 0.00 33.22 32.12 2e9h n MET 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2e9h n VAL 47 N -2.77 1.58 0.11 1.12 0.31 -1.26 -3.70 118.33 113.73 2e9h n VAL 47 Ca -0.08 -0.55 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 2e9h n VAL 47 Cb 0.75 -1.59 -0.08 0.00 -0.91 0.00 0.00 33.84 32.01 2e9h n VAL 47 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2e9h h ASP 48 N -0.13 -0.20 -0.39 4.52 3.04 -1.86 -0.24 116.42 121.16 2e9h h ASP 48 Ca -0.54 -0.10 0.01 0.00 -3.24 0.00 0.00 57.03 53.16 2e9h h ASP 48 Cb 1.88 0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 40.21 2e9h h ASP 48 CO -0.08 -0.02 0.26 -0.37 -2.04 0.00 0.00 179.24 176.99 2e9h h VAL 49 N -0.38 1.09 -0.25 4.15 -1.51 -1.79 -2.52 116.25 115.05 2e9h h VAL 49 Ca -0.02 -0.18 0.01 0.00 -1.23 0.00 0.00 66.70 65.27 2e9h h VAL 49 Cb 0.30 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 2e9h h VAL 49 CO 0.04 0.10 0.15 0.00 -1.23 0.00 0.00 177.57 176.62 2e9h h ALA 50 N 1.15 0.30 -0.82 5.19 0.00 -1.62 -2.16 119.26 121.30 2e9h h ALA 50 Ca 0.15 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2e9h h ALA 50 Cb -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2e9h h ALA 50 CO -0.04 -0.24 0.54 -0.22 0.00 0.00 0.00 179.25 179.29 2e9h h LYS 51 N 0.30 0.49 0.00 0.00 3.64 -0.80 0.20 116.57 120.41 2e9h h LYS 51 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2e9h h LYS 51 Cb -0.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2e9h h LYS 51 CO -0.04 0.32 -0.08 0.00 -2.27 0.00 0.00 179.45 177.38 2e9h h ALA 52 N 1.62 1.76 -0.16 5.00 0.00 -0.96 -0.30 119.26 126.23 2e9h h ALA 52 Ca 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2e9h h ALA 52 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2e9h h ALA 52 CO -0.15 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2e9h n LEU 53 N -4.29 2.18 -1.74 0.00 4.77 0.68 -4.92 117.00 113.68 2e9h n LEU 53 Ca -0.03 -0.85 -0.17 0.00 -0.03 0.00 0.00 56.01 54.93 2e9h n LEU 53 Cb 0.16 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2e9h n LEU 53 CO 0.34 0.43 -0.20 0.59 -1.33 0.00 0.00 177.39 177.21 2e9h n ASN 54 N 0.67 -5.10 -4.18 -1.43 3.02 -0.12 -4.98 115.26 103.13 2e9h n ASN 54 Ca 0.17 0.15 -0.19 0.00 -0.03 0.00 0.00 54.58 54.69 2e9h n ASN 54 Cb 0.43 -4.17 -0.12 0.00 -0.61 0.00 0.00 39.78 35.31 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 -4.34 0.86 0.48 3.52 0.52 -1.09 -5.02 118.95 113.87 2e9h s ARG 55 Ca 0.00 -0.99 -0.22 0.00 -0.52 0.00 0.00 55.73 54.00 2e9h s ARG 55 Cb 0.00 -0.87 -0.07 0.00 0.52 0.00 0.00 34.95 34.53 2e9h s ARG 55 CO 0.00 0.19 1.16 -1.25 0.02 0.00 0.00 175.30 175.42 2e9h s PRO 56 N -1.83 3.68 0.55 3.54 0.04 -1.26 -3.82 135.00 135.91 2e9h s PRO 56 Ca -0.01 1.74 0.34 0.00 0.04 0.00 0.00 61.00 63.12 2e9h s PRO 56 Cb -0.10 -2.33 1.41 0.00 0.04 0.00 0.00 34.50 33.53 2e9h s PRO 56 CO 0.02 -0.61 2.00 -1.00 0.04 0.00 0.00 177.00 177.45 2e9h h PRO 57 N 1.88 0.00 0.00 0.56 0.13 -1.92 -2.86 132.00 129.79 2e9h h PRO 57 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2e9h h PRO 57 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2e9h h PRO 57 CO 0.60 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.11 2e9h h THR 58 N 0.00 0.34 0.36 1.56 1.35 -1.92 0.14 112.91 114.75 2e9h h THR 58 Ca 0.00 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.58 2e9h h THR 58 Cb 0.49 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2e9h h THR 58 CO 0.00 0.04 -0.17 1.88 -0.25 0.00 0.00 175.52 177.02 2e9h h TYR 59 N 0.00 -0.45 0.10 4.73 0.05 -1.90 -3.28 116.97 116.22 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 0.18 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2e9h h TYR 59 CO 0.00 -0.27 -0.05 -1.00 -1.05 0.00 0.00 178.16 175.79 2e9h h PRO 60 N -1.13 -0.13 -0.84 4.88 0.13 -1.70 -3.19 132.00 130.02 2e9h h PRO 60 Ca -0.05 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2e9h h PRO 60 Cb 0.38 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.42 2e9h h PRO 60 CO 0.08 0.30 -0.42 2.41 -0.23 0.00 0.00 178.00 180.14 2e9h n THR 61 N -4.93 -0.52 -0.19 1.56 -1.04 0.49 0.20 114.28 109.86 2e9h n THR 61 Ca -0.09 2.00 0.06 0.00 -2.04 0.00 0.00 64.05 63.99 2e9h n THR 61 Cb 0.25 -2.54 0.35 0.00 -1.82 0.00 0.00 70.33 66.57 2e9h n THR 61 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2e9h h LYS 62 N 0.00 0.74 0.30 -2.82 1.63 -1.65 -2.90 116.57 111.88 2e9h h LYS 62 Ca 0.20 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2e9h h LYS 62 Cb 0.41 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2e9h h LYS 62 CO -0.81 0.49 -0.42 -0.92 -3.45 0.00 0.00 179.45 174.34 2e9h h TYR 63 N 0.77 -1.19 -0.91 1.91 3.20 0.23 0.14 116.97 121.11 2e9h h TYR 63 Ca 0.31 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.29 2e9h h TYR 63 Cb 0.25 0.48 -0.11 0.00 1.54 0.00 0.00 36.73 38.89 2e9h h TYR 63 CO -0.00 -0.53 -0.56 0.74 -1.64 0.00 0.00 178.16 176.16 2e9h h PHE 64 N -0.76 -1.81 -0.97 -3.82 0.04 -1.20 0.36 116.94 108.79 2e9h h PHE 64 Ca -0.04 0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.90 2e9h h PHE 64 Cb 0.69 0.91 -0.06 0.00 2.20 0.00 0.00 35.95 39.69 2e9h h PHE 64 CO -0.29 -0.36 0.63 0.78 -0.60 0.00 0.00 178.31 178.46 2e9h h GLY 65 N -0.03 1.42 0.75 -1.45 0.00 -1.52 -0.16 103.07 102.08 2e9h h GLY 65 Ca 0.15 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.04 2e9h h GLY 65 CO -0.88 0.38 0.12 0.00 0.00 0.00 0.00 176.54 176.16 2e9h h GLU 67 N 0.27 0.83 0.00 0.00 4.39 -0.47 -2.92 114.58 116.68 2e9h h GLU 67 Ca 0.14 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2e9h h GLU 67 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2e9h h GLU 67 CO -0.14 1.05 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.63 2e9h h LEU 68 N 0.63 0.00 1.25 1.33 3.38 -0.69 -3.47 115.31 117.74 2e9h h LEU 68 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2e9h h LEU 68 Cb 0.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2e9h h LEU 68 CO 0.08 0.07 -0.28 0.61 0.09 0.00 0.00 178.44 179.01 2e9h n GLY 69 N 0.48 0.50 3.89 0.83 0.00 0.45 -5.01 105.19 106.33 2e9h n GLY 69 Ca 0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.55 4.28 0.71 4.61 0.00 -0.94 -5.03 121.76 122.85 2e9h s ALA 70 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 2e9h s ALA 70 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2e9h s ALA 70 CO 0.00 -0.39 1.07 -1.14 0.00 0.00 0.00 175.76 175.30 2e9h s GLN 71 N -4.23 2.82 0.05 0.00 0.74 -1.26 -4.69 119.66 113.09 2e9h s GLN 71 Ca 0.39 0.75 -0.10 0.00 0.05 0.00 0.00 55.36 56.45 2e9h s GLN 71 Cb -0.02 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 32.10 2e9h s GLN 71 CO 0.24 -1.13 0.22 0.95 -0.55 0.00 0.00 175.29 175.01 2e9h s THR 72 N -3.15 0.11 -0.05 -0.34 -4.23 -1.26 -0.05 115.64 106.67 2e9h s THR 72 Ca 0.58 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2e9h s THR 72 Cb -0.13 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 2e9h s THR 72 CO 0.54 -0.50 -0.18 -1.10 -0.54 0.00 0.00 174.62 172.85 2e9h s GLN 73 N -2.81 1.89 -0.13 3.99 -0.21 -0.50 -4.99 119.66 116.89 2e9h s GLN 73 Ca -0.03 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 54.74 2e9h s GLN 73 Cb 0.00 -1.63 0.01 0.00 1.00 0.00 0.00 33.01 32.39 2e9h s GLN 73 CO -0.05 0.25 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.09 2e9h s PHE 74 N 0.05 2.67 -0.24 0.91 0.40 -1.26 -2.68 117.98 117.83 2e9h s PHE 74 Ca -0.05 -1.26 -0.03 0.00 -0.60 0.00 0.00 56.93 54.99 2e9h s PHE 74 Cb -0.12 -1.81 0.11 0.00 0.51 0.00 0.00 43.02 41.71 2e9h s PHE 74 CO 0.03 -0.56 0.23 0.34 0.70 0.00 0.00 175.22 175.95 2e9h s ASP 75 N 0.73 1.73 0.14 1.36 2.15 -1.13 -5.01 116.67 116.64 2e9h s ASP 75 Ca -0.09 -0.51 0.01 0.00 0.43 0.00 0.00 52.55 52.40 2e9h s ASP 75 Cb -0.16 0.32 -0.10 0.00 -0.30 0.00 0.00 42.92 42.69 2e9h s ASP 75 CO 0.00 -0.36 1.31 0.58 -0.17 0.00 0.00 175.17 176.53 2e9h h VAL 76 N 6.31 1.52 -0.39 1.11 2.07 -1.94 0.22 116.25 125.15 2e9h h VAL 76 Ca -0.16 -2.81 0.08 0.00 0.82 0.00 0.00 66.70 64.63 2e9h h VAL 76 Cb 1.11 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 33.41 2e9h h VAL 76 CO 0.32 0.82 -0.16 0.11 0.02 0.00 0.00 177.57 178.67 2e9h h LYS 77 N 0.09 -0.08 -0.24 1.57 1.57 -1.98 -2.31 116.57 115.20 2e9h h LYS 77 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2e9h h LYS 77 Cb 1.64 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2e9h h LYS 77 CO 0.15 -0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 2e9h n ASN 78 N -5.35 2.78 -4.06 0.86 3.02 -1.25 -4.97 115.26 106.29 2e9h n ASN 78 Ca 0.02 -1.82 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 2e9h n ASN 78 Cb 0.26 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.92 -4.04 -4.55 6.41 8.00 0.65 -4.93 116.55 119.01 2e9h n ASP 79 Ca 0.13 -0.89 -0.37 0.00 0.71 0.00 0.00 54.79 54.37 2e9h n ASP 79 Cb 0.45 -3.36 -0.11 0.00 -0.02 0.00 0.00 41.12 38.07 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -6.76 3.85 -0.22 -1.24 1.70 -0.43 -4.88 118.95 110.97 2e9h s ARG 80 Ca 0.69 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 2e9h s ARG 80 Cb -0.36 -3.46 0.03 0.00 -0.57 0.00 0.00 34.95 30.59 2e9h s ARG 80 CO 0.88 -0.10 -0.13 0.71 -1.08 0.00 0.00 175.30 175.58 2e9h s TYR 81 N 1.44 2.97 0.08 5.89 1.51 -1.26 -2.86 117.35 125.12 2e9h s TYR 81 Ca 0.06 -1.67 0.06 0.00 -1.01 0.00 0.00 57.07 54.51 2e9h s TYR 81 Cb -0.15 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2e9h s TYR 81 CO 0.06 -0.77 -0.09 0.42 -1.11 0.00 0.00 175.55 174.06 2e9h s ILE 82 N 1.29 3.45 -0.32 2.71 1.01 -1.09 -2.39 121.20 125.86 2e9h s ILE 82 Ca 0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 2e9h s ILE 82 Cb -0.15 -2.60 0.11 0.00 0.01 0.00 0.00 42.46 39.83 2e9h s ILE 82 CO -0.08 0.16 0.12 -0.69 0.00 0.00 0.00 174.94 174.46 2e9h s VAL 83 N -1.18 0.58 0.37 2.92 1.01 0.81 -1.41 120.40 123.50 2e9h s VAL 83 Ca 0.21 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 2e9h s VAL 83 Cb -0.11 -1.45 -0.15 0.00 0.00 0.00 0.00 36.38 34.67 2e9h s VAL 83 CO 0.13 -0.73 0.12 0.59 0.00 0.00 0.00 175.10 175.21 2e9h n ASN 84 N 4.82 -2.61 0.00 3.32 4.13 0.93 -2.62 115.26 123.23 2e9h n ASN 84 Ca -0.02 0.80 0.00 0.00 1.68 0.00 0.00 54.58 57.05 2e9h n ASN 84 Cb 0.41 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 85 N 2.21 2.11 3.65 7.41 0.00 -1.22 -4.59 105.19 114.75 2e9h n GLY 85 Ca 0.11 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.02 6.95 -0.06 1.61 1.04 -1.26 -2.92 113.70 119.05 2e9h s SER 86 Ca 0.00 1.21 -0.05 0.00 0.48 0.00 0.00 55.95 57.59 2e9h s SER 86 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.59 2e9h s SER 86 CO 0.00 -0.83 0.15 -1.00 0.98 0.00 0.00 173.24 172.54 2e9h s HIS 87 N 3.59 -0.17 -0.04 5.02 3.76 -1.26 -5.03 115.29 121.15 2e9h s HIS 87 Ca 0.47 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.76 2e9h s HIS 87 Cb -0.14 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.56 2e9h s HIS 87 CO 0.13 -0.09 0.16 -1.83 -0.85 0.00 0.00 174.74 172.27 2e9h s GLU 88 N 0.16 3.40 0.36 1.40 -1.05 -1.26 -4.84 118.70 116.87 2e9h s GLU 88 Ca -0.01 -0.28 0.18 0.00 -0.15 0.00 0.00 54.97 54.72 2e9h s GLU 88 Cb -0.02 -3.10 1.25 0.00 -0.44 0.00 0.00 34.13 31.82 2e9h s GLU 88 CO -0.00 0.71 1.60 0.00 0.95 0.00 0.00 175.26 178.51 2e9h h ALA 89 N 4.22 2.05 -0.82 -0.84 0.00 -1.89 1.00 119.26 122.98 2e9h h ALA 89 Ca -0.51 0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2e9h h ALA 89 Cb 1.20 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2e9h h ALA 89 CO 0.65 -0.85 0.49 -0.97 0.00 0.00 0.00 179.25 178.57 2e9h h ASN 90 N 0.07 0.76 -0.09 0.00 -1.24 -1.93 0.10 115.58 113.24 2e9h h ASN 90 Ca 0.81 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.80 2e9h h ASN 90 Cb 2.05 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.97 2e9h h ASN 90 CO -0.74 0.47 -0.12 0.50 -1.29 0.00 0.00 177.43 176.25 2e9h h LYS 91 N 0.88 0.25 0.77 6.67 3.64 0.61 -2.92 116.57 126.47 2e9h h LYS 91 Ca 0.37 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2e9h h LYS 91 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2e9h h LYS 91 CO -0.19 0.70 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.12 2e9h h LEU 92 N -0.19 -1.27 -1.52 5.20 3.38 -0.93 -2.10 115.31 117.88 2e9h h LEU 92 Ca 0.01 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.38 2e9h h LEU 92 Cb 0.67 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 2e9h h LEU 92 CO 0.03 -0.75 0.76 -0.61 0.09 0.00 0.00 178.44 177.96 2e9h h GLN 93 N -1.19 0.23 -0.32 1.13 5.75 -0.91 0.80 115.11 120.60 2e9h h GLN 93 Ca -0.10 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.28 2e9h h GLN 93 Cb 0.96 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 2e9h h GLN 93 CO 0.09 0.15 -0.23 0.22 -2.65 0.00 0.00 178.83 176.41 2e9h h ASP 94 N 0.24 0.62 0.01 -0.69 3.58 -1.20 -3.14 116.42 115.84 2e9h h ASP 94 Ca 0.64 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 2e9h h ASP 94 Cb 1.93 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2e9h h ASP 94 CO -0.26 0.84 -0.00 0.24 -2.88 0.00 0.00 179.24 177.18 2e9h h MET 95 N 0.54 -0.01 -1.14 0.28 2.86 0.11 -3.28 114.93 114.29 2e9h h MET 95 Ca 0.08 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 58.05 2e9h h MET 95 Cb 0.69 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 2e9h h MET 95 CO 0.05 0.74 1.12 1.25 1.06 0.00 0.00 176.91 181.13 2e9h h LEU 96 N -0.97 0.00 -0.36 1.22 5.85 -0.76 0.89 115.31 121.18 2e9h h LEU 96 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2e9h h LEU 96 Cb 0.75 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 2e9h h LEU 96 CO 0.00 0.00 -0.28 -2.24 -0.34 0.00 0.00 178.44 175.58 2e9h h ASP 97 N 0.00 -0.92 -0.81 1.25 2.03 -1.60 -1.01 116.42 115.36 2e9h h ASP 97 Ca 0.54 0.17 0.20 0.00 -0.73 0.00 0.00 57.03 57.21 2e9h h ASP 97 Cb 2.77 0.44 -0.13 0.00 -0.83 0.00 0.00 39.33 41.58 2e9h h ASP 97 CO -0.01 -0.29 0.13 1.23 -1.03 0.00 0.00 179.24 179.27 2e9h h GLY 98 N -0.23 1.09 0.58 7.15 0.00 -1.04 0.82 103.07 111.45 2e9h h GLY 98 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2e9h h GLY 98 CO -0.49 -0.30 -0.28 -2.75 0.00 0.00 0.00 176.54 172.72 2e9h h PHE 99 N 0.18 -0.72 -0.07 5.60 3.04 -1.36 -2.84 116.94 120.77 2e9h h PHE 99 Ca 0.47 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.43 2e9h h PHE 99 Cb 0.88 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 2e9h h PHE 99 CO -0.33 -0.45 0.16 0.82 -2.02 0.00 0.00 178.31 176.49 2e9h h ILE 100 N -0.88 0.21 0.00 1.41 2.04 -0.87 1.85 117.51 121.28 2e9h h ILE 100 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2e9h h ILE 100 Cb 0.60 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2e9h h ILE 100 CO 0.13 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 178.24 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.79 0.90 0.33 116.57 121.96 2e9h h LYS 101 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2e9h h LYS 101 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2e9h h LYS 101 CO -0.00 0.15 -0.19 0.36 -1.08 0.00 0.00 179.45 178.69 2e9h n LYS 102 N -3.67 0.00 0.25 3.15 2.85 0.27 -4.16 118.16 116.85 2e9h n LYS 102 Ca -0.02 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 2e9h n LYS 102 Cb 0.27 -0.17 0.46 0.00 -0.65 0.00 0.00 35.03 34.94 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2e9h h PHE 103 N 0.00 0.00 0.00 5.58 -1.00 0.25 -3.21 116.94 118.56 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2e9h h PHE 103 CO 0.00 0.00 -0.22 0.28 -1.61 0.00 0.00 178.31 176.76 2e9h n VAL 104 N -2.39 0.37 -1.97 -0.55 0.31 -1.21 -4.94 118.33 107.95 2e9h n VAL 104 Ca -0.01 0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 64.10 2e9h n VAL 104 Cb 0.46 -1.05 0.03 0.00 -0.91 0.00 0.00 33.84 32.36 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 -6.37 3.56 -0.15 7.52 1.43 0.11 -4.12 118.68 120.66 2e9h s LEU 105 Ca 0.00 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.12 2e9h s LEU 105 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 2e9h s LEU 105 CO 0.00 -1.49 0.19 0.00 0.23 0.00 0.00 176.35 175.28 2e9h n PRO 107 N 2.93 0.49 0.00 0.00 -0.04 -1.26 0.18 135.00 137.29 2e9h n PRO 107 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2e9h n PRO 107 Cb 0.53 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.73 0.00 -0.04 0.54 -0.58 -1.26 -4.84 120.64 113.73 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 -0.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.88 -0.90 -3.01 0.00 0.28 0.47 -4.73 120.64 111.88 2e9h n GLU 110 Ca 0.07 0.08 -0.40 0.00 -0.16 0.00 0.00 57.16 56.74 2e9h n GLU 110 Cb 0.43 -2.76 -0.05 0.00 1.43 0.00 0.00 31.44 30.50 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2e9h s ASN 111 N -3.39 6.97 0.00 -1.84 3.84 -1.26 -4.34 114.94 114.92 2e9h s ASN 111 Ca 0.23 1.17 0.15 0.00 0.21 0.00 0.00 52.86 54.62 2e9h s ASN 111 Cb -0.13 -2.42 0.87 0.00 -0.55 0.00 0.00 41.25 39.02 2e9h s ASN 111 CO 0.69 -0.19 1.29 -0.81 -2.79 0.00 0.00 177.10 175.29 2e9h n PRO 112 N 4.18 0.49 -3.95 0.43 -0.04 -1.26 -2.88 135.00 131.96 2e9h n PRO 112 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2e9h n PRO 112 Cb 0.51 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.60 0.40 0.54 0.41 -1.26 -4.79 118.70 113.59 2e9h s GLU 113 Ca 0.22 -2.11 0.04 0.00 -0.41 0.00 0.00 54.97 52.71 2e9h s GLU 113 Cb 0.10 -3.10 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 2e9h s GLU 113 CO 0.17 -1.02 0.16 0.95 -0.49 0.00 0.00 175.26 175.02 2e9h s THR 114 N 0.46 0.47 0.14 3.63 -4.23 -1.26 -4.58 115.64 110.27 2e9h s THR 114 Ca 0.14 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2e9h s THR 114 Cb -0.22 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2e9h s THR 114 CO -0.06 0.00 -0.23 -1.81 -0.54 0.00 0.00 174.62 171.98 2e9h s ASP 115 N -3.57 2.96 0.02 3.99 1.01 -0.89 -5.01 116.67 115.19 2e9h s ASP 115 Ca 0.26 -0.76 0.07 0.00 0.71 0.00 0.00 52.55 52.83 2e9h s ASP 115 Cb 0.02 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 2e9h s ASP 115 CO 0.17 0.09 -0.22 -0.76 0.21 0.00 0.00 175.17 174.66 2e9h s LEU 116 N -2.20 2.13 0.05 1.23 1.43 -1.26 -0.49 118.68 119.56 2e9h s LEU 116 Ca 0.13 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2e9h s LEU 116 Cb -0.09 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2e9h s LEU 116 CO 0.06 0.21 -0.22 -1.00 0.23 0.00 0.00 176.35 175.63 2e9h s HIS 117 N -0.71 1.91 0.04 0.29 3.76 0.36 -4.94 115.29 116.01 2e9h s HIS 117 Ca 0.09 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 2e9h s HIS 117 Cb -0.09 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.44 2e9h s HIS 117 CO 0.01 0.11 -0.21 0.54 -0.85 0.00 0.00 174.74 174.34 2e9h s VAL 118 N -0.83 1.67 -0.21 -0.90 0.11 -1.26 -1.12 120.40 117.85 2e9h s VAL 118 Ca 0.08 -1.19 -0.03 0.00 -2.93 0.00 0.00 61.98 57.91 2e9h s VAL 118 Cb -0.09 -1.45 0.07 0.00 -1.53 0.00 0.00 36.38 33.38 2e9h s VAL 118 CO 0.02 0.22 0.05 0.21 -3.33 0.00 0.00 175.10 172.27 2e9h s ASN 119 N -1.15 3.03 0.38 3.54 3.84 -1.08 -5.00 114.94 118.50 2e9h s ASN 119 Ca 0.07 -0.93 0.17 0.00 0.21 0.00 0.00 52.86 52.39 2e9h s ASN 119 Cb -0.09 -0.57 0.77 0.00 -0.55 0.00 0.00 41.25 40.80 2e9h s ASN 119 CO 0.02 -0.33 1.79 1.55 -2.79 0.00 0.00 177.10 177.34 2e9h h PRO 120 N 8.25 0.00 0.07 0.43 0.13 -1.90 0.28 132.00 139.26 2e9h h PRO 120 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2e9h h PRO 120 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2e9h h PRO 120 CO 0.35 0.37 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.24 2e9h h LYS 121 N 0.00 -0.09 0.00 0.86 3.11 -1.97 -3.31 116.57 115.17 2e9h h LYS 121 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2e9h h LYS 121 Cb 0.77 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2e9h h LYS 121 CO 0.05 0.23 0.00 1.63 -2.81 0.00 0.00 179.45 178.55 2e9h n LYS 122 N -4.80 0.05 -3.94 1.90 4.76 -1.24 -4.91 118.16 109.98 2e9h n LYS 122 Ca -0.04 0.14 -0.28 0.00 -2.87 0.00 0.00 58.31 55.26 2e9h n LYS 122 Cb 0.18 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -1.67 -4.29 -3.94 1.97 1.13 0.96 -4.97 117.38 106.58 2e9h n GLN 123 Ca 0.05 0.50 -0.10 0.00 -1.94 0.00 0.00 57.00 55.52 2e9h n GLN 123 Cb 0.29 -5.07 -0.11 0.00 0.11 0.00 0.00 30.24 25.46 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 -3.57 0.09 -0.04 5.09 -4.23 -1.12 -5.01 115.64 106.85 2e9h s THR 124 Ca 0.34 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 2e9h s THR 124 Cb -0.18 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2e9h s THR 124 CO 0.86 -0.42 0.11 -0.63 -0.54 0.00 0.00 174.62 174.00 2e9h s ILE 125 N -1.28 5.04 -0.04 2.99 1.01 -1.26 -2.62 121.20 125.04 2e9h s ILE 125 Ca -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 2e9h s ILE 125 Cb -0.08 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.15 2e9h s ILE 125 CO -0.00 0.44 0.07 -0.83 0.00 0.00 0.00 174.94 174.62 2e9h s GLY 126 N -1.50 0.10 -0.01 6.18 0.00 -0.28 -0.14 107.32 111.67 2e9h s GLY 126 Ca 0.21 0.36 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 2e9h s GLY 126 CO 0.11 1.00 0.22 0.54 0.00 0.00 0.00 173.10 174.97 2e9h s ASN 127 N 1.48 6.42 -0.16 1.64 2.20 -0.73 0.14 114.94 125.92 2e9h s ASN 127 Ca -0.04 0.44 -0.02 0.00 -0.94 0.00 0.00 52.86 52.29 2e9h s ASN 127 Cb -0.12 -2.04 0.05 0.00 -2.00 0.00 0.00 41.25 37.14 2e9h s ASN 127 CO -0.04 0.26 0.03 -0.94 -2.94 0.00 0.00 177.10 173.47 2e9h s SER 128 N -1.81 2.54 0.45 3.54 1.04 0.36 -2.49 113.70 117.33 2e9h s SER 128 Ca 0.27 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 2e9h s SER 128 Cb -0.13 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.40 2e9h s SER 128 CO 0.17 -0.28 0.77 0.00 0.98 0.00 0.00 173.24 174.89 2e9h n LYS 130 N -1.89 0.95 -0.29 0.00 4.81 -1.26 -3.48 118.16 117.00 2e9h n LYS 130 Ca 0.01 0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.58 2e9h n LYS 130 Cb 0.55 -1.12 0.25 0.00 0.02 0.00 0.00 35.03 34.73 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2e9h h ALA 131 N 0.06 1.15 0.00 3.14 0.00 -1.96 -3.25 119.26 118.41 2e9h h ALA 131 Ca -0.13 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2e9h h ALA 131 Cb 1.23 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2e9h h ALA 131 CO -0.01 -0.43 -1.29 0.00 0.00 0.00 0.00 179.25 177.51 2e9h n GLY 133 N 3.13 0.77 3.79 0.00 0.00 -1.23 -5.11 105.19 106.55 2e9h n GLY 133 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.44 3.49 -0.13 1.61 6.14 -1.24 -4.90 117.35 120.88 2e9h s TYR 134 Ca 0.00 0.41 -0.00 0.00 0.64 0.00 0.00 57.07 58.12 2e9h s TYR 134 Cb 0.00 -2.06 0.03 0.00 0.42 0.00 0.00 41.96 40.34 2e9h s TYR 134 CO 0.00 0.48 -0.09 1.03 0.64 0.00 0.00 175.55 177.61 2e9h s ARG 135 N -0.24 1.70 0.04 4.97 3.00 -1.26 -0.99 118.95 126.17 2e9h s ARG 135 Ca 0.11 -0.35 -0.09 0.00 0.00 0.00 0.00 55.73 55.40 2e9h s ARG 135 Cb -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 34.95 33.09 2e9h s ARG 135 CO 0.01 -0.27 0.18 0.20 0.00 0.00 0.00 175.30 175.41 2e9h s GLY 136 N 1.65 0.05 -0.05 -3.53 0.00 -1.04 -5.04 107.32 99.37 2e9h s GLY 136 Ca 0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 2e9h s GLY 136 CO -0.09 -0.49 0.66 -3.16 0.00 0.00 0.00 173.10 170.01 2e9h s MET 137 N -2.60 4.40 -0.01 2.90 0.23 -1.26 -1.77 119.30 121.19 2e9h s MET 137 Ca -0.05 0.81 -0.15 0.00 -1.03 0.00 0.00 55.69 55.28 2e9h s MET 137 Cb -0.01 -3.41 -0.06 0.00 -1.53 0.00 0.00 34.83 29.82 2e9h s MET 137 CO -0.04 0.17 0.41 -0.51 -2.03 0.00 0.00 175.02 173.02 2e9h s LEU 138 N 0.45 4.46 -0.40 0.18 1.43 0.80 -4.96 118.68 120.64 2e9h s LEU 138 Ca 0.35 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2e9h s LEU 138 Cb -0.18 -2.59 0.12 0.00 0.03 0.00 0.00 46.19 43.57 2e9h s LEU 138 CO 0.17 0.30 0.16 -1.81 0.23 0.00 0.00 176.35 175.40 2e9h s ASP 139 N -0.94 4.17 0.03 2.29 1.11 -1.26 -3.99 116.67 118.09 2e9h s ASP 139 Ca 0.24 -2.34 0.03 0.00 0.18 0.00 0.00 52.55 50.66 2e9h s ASP 139 Cb -0.17 -1.27 -0.04 0.00 1.07 0.00 0.00 42.92 42.52 2e9h s ASP 139 CO 0.13 -0.33 0.01 -0.89 1.18 0.00 0.00 175.17 175.27 2e9h s THR 140 N 0.68 4.16 -0.13 -1.27 2.01 -1.26 -5.03 115.64 114.79 2e9h s THR 140 Ca 0.14 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2e9h s THR 140 Cb -0.22 -2.91 -0.14 0.00 0.01 0.00 0.00 72.50 69.24 2e9h s THR 140 CO -0.08 0.27 0.90 0.00 -0.69 0.00 0.00 174.62 175.02 2e9h n HIS 141 N 1.05 0.75 -0.42 4.92 1.44 -1.26 -4.06 115.22 117.63 2e9h n HIS 141 Ca -0.13 0.77 0.35 0.00 -2.01 0.00 0.00 57.72 56.70 2e9h n HIS 141 Cb 0.52 -1.51 0.64 0.00 0.12 0.00 0.00 29.99 29.77 2e9h n HIS 141 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2e9h h HIS 142 N 2.65 0.45 -0.75 -1.40 3.86 -1.96 0.25 115.15 118.26 2e9h h HIS 142 Ca -0.34 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.06 2e9h h HIS 142 Cb 0.99 -0.12 -0.13 0.00 1.06 0.00 0.00 27.41 29.22 2e9h h HIS 142 CO 0.42 -0.10 0.04 -0.22 0.86 0.00 0.00 177.93 178.94 2e9h h LYS 143 N 0.15 0.13 0.00 2.45 1.63 -2.01 -0.28 116.57 118.63 2e9h h LYS 143 Ca 0.74 -0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 60.27 2e9h h LYS 143 Cb 2.37 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 33.93 2e9h h LYS 143 CO -0.30 0.08 -1.57 -0.11 -3.45 0.00 0.00 179.45 174.10 2e9h n LEU 144 N -5.31 1.89 -0.52 5.20 7.94 0.69 -4.18 117.00 122.72 2e9h n LEU 144 Ca 0.14 0.41 0.43 0.00 -1.11 0.00 0.00 56.01 55.88 2e9h n LEU 144 Cb 0.48 -0.89 0.71 0.00 0.53 0.00 0.00 43.42 44.24 2e9h n LEU 144 CO 0.06 0.24 1.28 0.00 -1.11 0.00 0.00 177.39 177.87 2e9h h THR 146 N 0.01 1.14 -0.69 0.00 1.03 -1.23 -2.84 112.91 110.33 2e9h h THR 146 Ca 0.89 -0.70 0.08 0.00 -0.01 0.00 0.00 66.41 66.67 2e9h h THR 146 Cb 3.00 1.60 -0.07 0.00 -1.07 0.00 0.00 68.15 71.61 2e9h h THR 146 CO -0.37 0.18 0.35 0.15 -0.01 0.00 0.00 175.52 175.81 2e9h h PHE 147 N -0.40 0.63 -0.64 0.00 3.57 0.05 -1.56 116.94 118.58 2e9h h PHE 147 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2e9h h PHE 147 Cb 0.35 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2e9h h PHE 147 CO 0.03 0.24 0.31 0.82 -2.23 0.00 0.00 178.31 177.48 2e9h h ILE 148 N 0.61 0.86 0.62 1.41 2.04 -1.34 -0.76 117.51 120.95 2e9h h ILE 148 Ca 0.33 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2e9h h ILE 148 Cb 0.32 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2e9h h ILE 148 CO -0.25 0.10 -0.30 -0.07 0.00 0.00 0.00 178.15 177.63 2e9h h LEU 149 N 0.54 -0.70 -0.87 1.44 3.38 -1.08 -3.16 115.31 114.87 2e9h h LEU 149 Ca 0.31 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.53 2e9h h LEU 149 Cb 0.30 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.08 2e9h h LEU 149 CO -0.25 -0.43 0.10 0.11 0.09 0.00 0.00 178.44 178.06 2e9h h LYS 150 N -0.98 0.11 -4.57 1.13 6.56 -1.21 -3.27 116.57 114.34 2e9h h LYS 150 Ca -0.08 -0.01 -0.69 0.00 -1.06 0.00 0.00 60.65 58.81 2e9h h LYS 150 Cb 0.64 -0.02 -0.35 0.00 -0.57 0.00 0.00 32.23 31.92 2e9h h LYS 150 CO 0.14 0.07 -0.60 0.54 -2.06 0.00 0.00 179.45 177.54 2e9h s ASN 151 N -5.10 5.12 1.01 0.86 2.20 -0.30 -5.10 114.94 113.63 2e9h s ASN 151 Ca -0.13 -1.91 -0.12 0.00 -0.94 0.00 0.00 52.86 49.76 2e9h s ASN 151 Cb 0.26 -1.78 0.20 0.00 -2.00 0.00 0.00 41.25 37.92 2e9h s ASN 151 CO 0.77 -0.47 1.09 -2.16 -2.94 0.00 0.00 177.10 173.39 2e9h s PRO 152 N 1.13 0.32 0.23 3.55 0.04 -1.22 -4.52 135.00 134.53 2e9h s PRO 152 Ca 0.06 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 2e9h s PRO 152 Cb -0.22 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2e9h s PRO 152 CO -0.04 -2.80 1.28 -1.25 0.04 0.00 0.00 177.00 174.23 2e9h s PRO 153 N -4.97 4.41 -0.21 0.56 0.04 -1.26 -5.02 135.00 128.55 2e9h s PRO 153 Ca 0.66 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 2e9h s PRO 153 Cb -0.19 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 2e9h s PRO 153 CO 0.58 -0.19 0.22 -2.00 0.04 0.00 0.00 177.00 175.64 2e9h s GLU 154 N -0.52 4.15 -0.55 4.56 2.12 -1.26 -5.01 118.70 122.18 2e9h s GLU 154 Ca 0.54 -0.12 -0.26 0.00 0.36 0.00 0.00 54.97 55.49 2e9h s GLU 154 Cb -0.36 -3.49 -0.06 0.00 0.26 0.00 0.00 34.13 30.47 2e9h s GLU 154 CO 0.41 0.13 2.28 -0.80 -0.54 0.00 0.00 175.26 176.74 2e9h s ASN 155 N 0.80 4.58 -0.35 -1.70 0.01 -1.26 -4.78 114.94 112.24 2e9h s ASN 155 Ca 0.11 0.80 0.11 0.00 -0.71 0.00 0.00 52.86 53.17 2e9h s ASN 155 Cb -0.13 -2.51 0.45 0.00 0.41 0.00 0.00 41.25 39.47 2e9h s ASN 155 CO 0.03 -2.85 1.09 -1.20 -1.51 0.00 0.00 177.10 172.66 2e9h n SER 156 N 15.43 3.45 -0.70 -1.22 7.64 -1.26 -5.27 113.62 131.70 2e9h n SER 156 Ca 0.34 -3.21 0.09 0.00 1.01 0.00 0.00 58.87 57.09 2e9h n SER 156 Cb 0.53 -0.45 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 2e9h n SER 156 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13