#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 0.00 0.00 2.98 4.19 -1.26 -4.98 117.16 118.09 2k1s n TYR 2 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2k1s n TYR 2 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2k1s n TYR 2 CO 0.00 0.00 0.00 -0.12 0.91 0.00 0.00 176.86 177.65 2k1s n MET 3 N 0.00 0.00 -0.02 2.98 1.56 -1.26 -4.62 117.12 115.76 2k1s n MET 3 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.44 2k1s n MET 3 Cb 0.00 -0.27 0.32 0.00 2.15 0.00 0.00 33.22 35.42 2k1s n MET 3 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 2k1s h ASP 4 N 0.00 0.53 0.26 6.12 2.03 -1.99 -0.80 116.42 122.57 2k1s h ASP 4 Ca 0.00 -0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.19 2k1s h ASP 4 Cb 0.00 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.36 2k1s h ASP 4 CO 0.00 0.51 -0.23 1.62 -1.03 0.00 0.00 179.24 180.11 2k1s h VAL 5 N 0.58 1.12 -0.07 4.15 3.04 -1.97 0.79 116.25 123.88 2k1s h VAL 5 Ca 0.14 -0.80 -0.21 0.00 -1.01 0.00 0.00 66.70 64.82 2k1s h VAL 5 Cb 0.17 1.44 0.01 0.00 -2.01 0.00 0.00 31.29 30.91 2k1s h VAL 5 CO -0.01 0.23 -0.77 1.56 -1.01 0.00 0.00 177.57 177.57 2k1s h GLN 6 N 0.00 0.65 -0.63 4.17 4.20 -1.57 -2.59 115.11 119.33 2k1s h GLN 6 Ca -0.00 -0.60 0.08 0.00 0.06 0.00 0.00 58.65 58.19 2k1s h GLN 6 Cb 0.42 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 2k1s h GLN 6 CO 0.03 1.21 0.29 1.49 -0.67 0.00 0.00 178.83 181.18 2k1s h GLU 7 N 0.30 0.51 -0.20 1.46 4.81 -0.53 -0.14 114.58 120.79 2k1s h GLU 7 Ca -0.08 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2k1s h GLU 7 Cb 1.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2k1s h GLU 7 CO 0.15 0.34 0.08 0.00 -0.73 0.00 0.00 179.01 178.85 2k1s h ALA 8 N 1.39 0.22 -0.43 2.92 0.00 -0.81 0.19 119.26 122.74 2k1s h ALA 8 Ca 0.31 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2k1s h ALA 8 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k1s h ALA 8 CO -0.25 -0.34 -0.17 0.87 0.00 0.00 0.00 179.25 179.35 2k1s h LYS 9 N 0.18 0.83 -0.13 0.00 1.57 -1.05 -2.43 116.57 115.55 2k1s h LYS 9 Ca 0.08 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 2k1s h LYS 9 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2k1s h LYS 9 CO -0.07 0.95 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.30 2k1s h LEU 10 N 0.74 0.30 -0.39 2.94 3.38 -0.77 -1.96 115.31 119.55 2k1s h LEU 10 Ca 0.11 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2k1s h LEU 10 Cb 0.69 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2k1s h LEU 10 CO 0.05 0.65 0.21 -0.09 0.09 0.00 0.00 178.44 179.35 2k1s h ARG 11 N 0.24 0.41 -0.20 1.13 1.12 -0.16 0.38 114.38 117.29 2k1s h ARG 11 Ca 0.03 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 2k1s h ARG 11 Cb 0.78 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 2k1s h ARG 11 CO 0.06 0.27 0.01 -0.44 -3.11 0.00 0.00 179.97 176.76 2k1s h ASP 12 N 0.42 0.34 0.09 -3.80 5.19 -1.22 -1.53 116.42 115.90 2k1s h ASP 12 Ca 0.16 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2k1s h ASP 12 Cb 0.05 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2k1s h ASP 12 CO -0.10 0.55 -0.04 0.11 -3.12 0.00 0.00 179.24 176.64 2k1s h LYS 13 N 0.12 -0.11 -0.99 3.56 1.57 -1.17 -3.18 116.57 116.37 2k1s h LYS 13 Ca 0.06 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.21 2k1s h LYS 13 Cb 0.37 0.03 -0.30 0.00 0.08 0.00 0.00 32.23 32.41 2k1s h LYS 13 CO 0.01 0.05 0.80 -1.33 -0.57 0.00 0.00 179.45 178.40 2k1s n MET 14 N -5.08 2.59 -0.31 3.15 2.81 0.13 -4.59 117.12 115.82 2k1s n MET 14 Ca -0.08 -3.23 0.02 0.00 -1.81 0.00 0.00 57.70 52.59 2k1s n MET 14 Cb 0.13 -2.26 0.21 0.00 -0.71 0.00 0.00 33.22 30.58 2k1s n MET 14 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2k1s h ARG 15 N 1.76 1.08 0.00 0.03 0.11 -1.25 -3.38 114.38 112.72 2k1s h ARG 15 Ca 0.61 -0.07 -0.12 0.00 0.10 0.00 0.00 59.98 60.51 2k1s h ARG 15 Cb 1.32 -0.24 -0.10 0.00 1.11 0.00 0.00 29.97 32.05 2k1s h ARG 15 CO 1.46 0.72 -0.16 0.41 0.10 0.00 0.00 179.97 182.49 2k1s n GLY 16 N -1.39 0.88 0.73 0.08 0.00 -1.26 -4.96 105.19 99.27 2k1s n GLY 16 Ca 0.13 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2k1s n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1s n THR 17 N -0.92 0.32 0.00 2.61 -2.24 -1.26 -4.88 114.28 107.90 2k1s n THR 17 Ca -0.12 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2k1s n THR 17 Cb 0.75 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2k1s n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1s n GLY 18 N 1.23 2.78 3.65 3.38 0.00 -1.26 -4.95 105.19 110.02 2k1s n GLY 18 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -2.80 4.31 -0.26 1.61 1.01 -1.26 -4.58 120.40 118.43 2k1s s VAL 19 Ca 0.00 1.55 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 2k1s s VAL 19 Cb 0.00 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2k1s s VAL 19 CO 0.00 -0.25 0.43 -0.44 0.00 0.00 0.00 175.10 174.84 2k1s s SER 20 N 2.08 6.34 -0.50 3.32 0.01 -0.98 -4.76 113.70 119.22 2k1s s SER 20 Ca 0.53 0.41 -0.22 0.00 1.31 0.00 0.00 55.95 57.97 2k1s s SER 20 Cb -0.19 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.84 2k1s s SER 20 CO 0.16 -0.20 0.80 -0.69 0.41 0.00 0.00 173.24 173.71 2k1s s VAL 21 N 2.04 4.61 -0.28 3.43 1.01 -1.26 -0.56 120.40 129.40 2k1s s VAL 21 Ca 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2k1s s VAL 21 Cb -0.16 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.86 2k1s s VAL 21 CO 0.09 -0.89 -0.00 -0.89 0.00 0.00 0.00 175.10 173.41 2k1s s THR 22 N 3.36 3.23 -0.84 3.92 2.01 0.61 -4.98 115.64 122.96 2k1s s THR 22 Ca 0.26 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 2k1s s THR 22 Cb -0.14 -2.70 0.13 0.00 0.01 0.00 0.00 72.50 69.80 2k1s s THR 22 CO 0.18 0.09 1.01 -0.60 -0.69 0.00 0.00 174.62 174.61 2k1s s ARG 23 N 1.36 3.47 -0.13 4.92 6.06 -1.26 -0.73 118.95 132.64 2k1s s ARG 23 Ca -0.00 -1.68 -0.03 0.00 -2.50 0.00 0.00 55.73 51.52 2k1s s ARG 23 Cb -0.18 -4.69 -0.03 0.00 0.06 0.00 0.00 34.95 30.11 2k1s s ARG 23 CO -0.02 -1.69 -0.01 0.45 -2.50 0.00 0.00 175.30 171.53 2k1s s SER 24 N 3.46 5.04 1.84 -2.12 0.15 -0.93 -4.91 113.70 116.21 2k1s s SER 24 Ca 0.27 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2k1s s SER 24 Cb -0.09 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2k1s s SER 24 CO -0.05 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2k1s n GLY 25 N 3.05 1.32 1.68 9.45 0.00 -1.26 -0.56 105.19 118.88 2k1s n GLY 25 Ca -0.18 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.17 2k1s n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k1s n ASP 26 N 11.61 1.70 -4.41 1.61 2.03 -1.26 -5.08 116.55 122.75 2k1s n ASP 26 Ca 0.00 -2.59 -0.29 0.00 0.52 0.00 0.00 54.79 52.43 2k1s n ASP 26 Cb 0.00 -0.39 -0.13 0.00 -0.72 0.00 0.00 41.12 39.88 2k1s n ASP 26 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k1s s ASN 27 N -2.85 3.47 -0.42 1.67 -0.87 0.28 -4.64 114.94 111.58 2k1s s ASN 27 Ca 0.35 -0.65 -0.11 0.00 -1.57 0.00 0.00 52.86 50.88 2k1s s ASN 27 Cb 0.37 -0.34 0.06 0.00 -0.02 0.00 0.00 41.25 41.33 2k1s s ASN 27 CO -0.10 0.20 0.27 -0.63 -2.57 0.00 0.00 177.10 174.27 2k1s s ILE 28 N -1.03 4.52 -0.33 0.60 1.01 -0.89 -2.19 121.20 122.89 2k1s s ILE 28 Ca 0.15 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 2k1s s ILE 28 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 2k1s s ILE 28 CO 0.06 -0.45 0.27 -0.63 0.00 0.00 0.00 174.94 174.19 2k1s s ILE 29 N 1.50 5.25 -0.42 2.92 1.09 0.09 -0.57 121.20 131.06 2k1s s ILE 29 Ca 0.03 -0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.38 2k1s s ILE 29 Cb -0.22 -3.72 0.03 0.00 -1.06 0.00 0.00 42.46 37.49 2k1s s ILE 29 CO 0.04 0.02 0.35 -0.76 -0.10 0.00 0.00 174.94 174.49 2k1s s LEU 30 N 1.83 5.13 -0.75 2.97 1.02 0.09 -0.28 118.68 128.69 2k1s s LEU 30 Ca 0.08 -0.91 -0.26 0.00 0.02 0.00 0.00 54.13 53.06 2k1s s LEU 30 Cb -0.17 -2.22 0.02 0.00 0.02 0.00 0.00 46.19 43.84 2k1s s LEU 30 CO 0.11 -0.52 1.45 0.20 0.02 0.00 0.00 176.35 177.61 2k1s s ASN 31 N 1.86 5.96 -0.51 2.29 0.02 0.28 -2.28 114.94 122.57 2k1s s ASN 31 Ca 0.07 -0.40 -0.22 0.00 -1.02 0.00 0.00 52.86 51.29 2k1s s ASN 31 Cb -0.19 -2.55 0.04 0.00 0.02 0.00 0.00 41.25 38.56 2k1s s ASN 31 CO 0.10 -1.96 0.78 -0.04 0.02 0.00 0.00 177.10 176.01 2k1s s MET 32 N 5.99 3.28 0.19 -0.60 -1.94 -0.63 -2.32 119.30 123.28 2k1s s MET 32 Ca 0.45 -0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 53.70 2k1s s MET 32 Cb -0.08 -4.03 -0.08 0.00 2.01 0.00 0.00 34.83 32.65 2k1s s MET 32 CO 0.13 -1.28 0.97 -1.25 -0.01 0.00 0.00 175.02 173.58 2k1s s PRO 33 N 3.30 4.77 0.64 2.03 0.04 -1.26 -0.86 135.00 143.66 2k1s s PRO 33 Ca 0.25 1.52 0.38 0.00 0.04 0.00 0.00 61.00 63.19 2k1s s PRO 33 Cb -0.15 -3.31 2.13 0.00 0.04 0.00 0.00 34.50 33.22 2k1s s PRO 33 CO 0.18 0.36 2.26 -2.95 0.04 0.00 0.00 177.00 176.89 2k1s h ASN 34 N 4.68 0.00 -0.88 6.66 7.08 -1.89 -2.31 115.58 128.93 2k1s h ASN 34 Ca -0.44 0.00 0.05 0.00 -3.08 0.00 0.00 56.30 52.82 2k1s h ASN 34 Cb 1.21 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.39 2k1s h ASN 34 CO 0.70 0.00 0.56 -1.13 -2.08 0.00 0.00 177.43 175.47 2k1s h ASN 35 N 0.00 0.90 0.00 6.14 -0.00 -1.88 -2.99 115.58 117.74 2k1s h ASN 35 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 2k1s h ASN 35 Cb 0.15 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 2k1s h ASN 35 CO -0.00 0.60 -1.04 1.33 -0.00 0.00 0.00 177.43 178.32 2k1s n VAL 36 N -4.57 0.00 -0.00 2.57 0.24 -0.99 -4.71 118.33 110.86 2k1s n VAL 36 Ca 0.12 -0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 62.08 2k1s n VAL 36 Cb 0.13 0.50 -0.14 0.00 -1.47 0.00 0.00 33.84 32.86 2k1s n VAL 36 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2k1s h THR 37 N 0.00 1.46 -0.68 3.34 2.02 -1.50 -3.26 112.91 114.28 2k1s h THR 37 Ca 0.00 -2.44 -0.62 0.00 0.77 0.00 0.00 66.41 64.12 2k1s h THR 37 Cb 0.19 3.09 -0.09 0.00 -1.74 0.00 0.00 68.15 69.60 2k1s h THR 37 CO 0.00 0.66 -0.43 -0.36 0.37 0.00 0.00 175.52 175.75 2k1s s PHE 38 N -2.38 1.91 0.00 3.16 0.40 -1.13 -1.72 117.98 118.22 2k1s s PHE 38 Ca -0.17 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 2k1s s PHE 38 Cb 0.01 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.75 2k1s s PHE 38 CO 0.76 -0.04 0.00 -3.47 0.70 0.00 0.00 175.22 173.17 2k1s n ASP 39 N -1.44 0.00 0.00 1.36 -0.08 -0.95 -4.69 116.55 110.75 2k1s n ASP 39 Ca -0.09 -0.90 0.14 0.00 -1.51 0.00 0.00 54.79 52.43 2k1s n ASP 39 Cb 0.66 0.00 0.79 0.00 2.34 0.00 0.00 41.12 44.90 2k1s n ASP 39 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2k1s n SER 40 N -2.71 0.00 -2.94 1.67 7.64 -1.26 -4.83 113.62 111.18 2k1s n SER 40 Ca 0.00 -0.59 -0.10 0.00 1.01 0.00 0.00 58.87 59.19 2k1s n SER 40 Cb 0.00 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2k1s n SER 40 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1s s SER 41 N -2.22 0.18 0.90 6.43 0.01 -1.26 -5.16 113.70 112.59 2k1s s SER 41 Ca 0.36 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2k1s s SER 41 Cb 0.19 0.83 0.00 0.00 0.21 0.00 0.00 66.02 67.25 2k1s s SER 41 CO 0.36 -1.64 0.00 -1.54 0.41 0.00 0.00 173.24 170.83 2k1s n SER 42 N -1.45 -5.06 -1.37 2.44 3.41 -1.26 -4.21 113.62 106.11 2k1s n SER 42 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 2k1s n SER 42 Cb 0.60 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.73 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k1s n ALA 43 N 0.26 4.60 -2.65 7.33 0.00 -1.26 -4.83 120.51 123.95 2k1s n ALA 43 Ca 0.00 -3.22 -0.42 0.00 0.00 0.00 0.00 53.44 49.81 2k1s n ALA 43 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -3.46 4.85 0.33 0.00 2.01 -1.26 -4.90 115.64 113.21 2k1s s THR 44 Ca 0.47 1.57 -0.27 0.00 0.31 0.00 0.00 61.69 63.77 2k1s s THR 44 Cb 0.42 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 2k1s s THR 44 CO 0.00 -0.05 1.04 -0.76 -0.69 0.00 0.00 174.62 174.17 2k1s s LEU 45 N 2.68 4.38 0.47 4.42 1.43 -1.26 -2.23 118.68 128.56 2k1s s LEU 45 Ca 0.35 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 2k1s s LEU 45 Cb -0.16 -3.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 2k1s s LEU 45 CO 0.08 -0.23 0.88 -0.54 0.23 0.00 0.00 176.35 176.78 2k1s s LYS 46 N -1.90 3.83 0.34 1.70 1.02 -0.70 -4.84 119.74 119.19 2k1s s LYS 46 Ca 0.50 0.69 0.09 0.00 0.02 0.00 0.00 55.97 57.27 2k1s s LYS 46 Cb -0.26 -2.26 0.82 0.00 -0.52 0.00 0.00 37.83 35.62 2k1s s LYS 46 CO 0.32 -0.18 1.83 -1.00 -0.92 0.00 0.00 175.35 175.40 2k1s h PRO 47 N 0.96 0.67 -0.17 -1.68 0.13 -1.93 0.58 132.00 130.56 2k1s h PRO 47 Ca -0.47 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2k1s h PRO 47 Cb 1.19 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2k1s h PRO 47 CO 0.63 0.44 -0.02 0.00 -0.23 0.00 0.00 178.00 178.81 2k1s h ALA 48 N 1.61 0.23 -0.62 -0.56 0.00 -1.93 -1.42 119.26 116.56 2k1s h ALA 48 Ca 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k1s h ALA 48 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k1s h ALA 48 CO -0.27 -0.04 0.25 0.78 0.00 0.00 0.00 179.25 179.97 2k1s h GLY 49 N 0.03 1.00 0.92 0.00 0.00 -1.20 -0.54 103.07 103.29 2k1s h GLY 49 Ca 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2k1s h GLY 49 CO 0.01 0.52 0.07 0.00 0.00 0.00 0.00 176.54 177.14 2k1s h ALA 50 N 1.10 0.48 -0.95 3.60 0.00 0.08 -0.78 119.26 122.79 2k1s h ALA 50 Ca 0.21 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k1s h ALA 50 Cb 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2k1s h ALA 50 CO -0.02 0.17 0.63 -0.97 0.00 0.00 0.00 179.25 179.06 2k1s h ASN 51 N 0.44 1.07 -0.21 0.00 -1.24 -1.08 0.33 115.58 114.90 2k1s h ASN 51 Ca 0.11 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.11 2k1s h ASN 51 Cb 0.33 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 2k1s h ASN 51 CO 0.00 0.76 0.11 0.74 -1.29 0.00 0.00 177.43 177.76 2k1s h THR 52 N 1.26 1.00 -0.46 -3.57 2.02 -0.75 -0.56 112.91 111.85 2k1s h THR 52 Ca 0.36 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.37 2k1s h THR 52 Cb -0.11 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2k1s h THR 52 CO -0.09 0.04 -0.05 -0.07 0.37 0.00 0.00 175.52 175.72 2k1s h LEU 53 N 0.23 0.78 -0.66 2.58 3.38 -0.56 -2.67 115.31 118.40 2k1s h LEU 53 Ca 0.09 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k1s h LEU 53 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2k1s h LEU 53 CO -0.06 0.88 0.41 0.74 0.09 0.00 0.00 178.44 180.51 2k1s h THR 54 N 0.74 1.09 -0.70 0.22 2.02 0.10 0.12 112.91 116.50 2k1s h THR 54 Ca 0.13 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2k1s h THR 54 Cb 0.53 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2k1s h THR 54 CO 0.03 0.15 0.45 1.23 0.37 0.00 0.00 175.52 177.74 2k1s h GLY 55 N 0.81 1.01 0.90 2.16 0.00 -0.80 -0.01 103.07 107.14 2k1s h GLY 55 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2k1s h GLY 55 CO -0.10 0.30 0.10 -2.08 0.00 0.00 0.00 176.54 174.75 2k1s h VAL 56 N 0.88 1.19 -0.57 4.60 2.07 -1.07 -2.63 116.25 120.72 2k1s h VAL 56 Ca 0.28 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2k1s h VAL 56 Cb -0.01 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2k1s h VAL 56 CO -0.10 0.20 0.38 0.00 0.02 0.00 0.00 177.57 178.07 2k1s h ALA 57 N 0.93 1.64 -0.46 1.67 0.00 -0.31 -0.34 119.26 122.39 2k1s h ALA 57 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2k1s h ALA 57 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k1s h ALA 57 CO -0.00 0.32 0.14 0.52 0.00 0.00 0.00 179.25 180.23 2k1s h MET 58 N 0.73 0.72 -0.22 0.00 2.86 -0.80 -1.46 114.93 116.76 2k1s h MET 58 Ca 0.22 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 2k1s h MET 58 Cb -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2k1s h MET 58 CO -0.05 0.69 -0.19 0.28 1.06 0.00 0.00 176.91 178.70 2k1s h VAL 59 N 0.61 1.24 0.00 -2.22 2.07 -0.95 -0.98 116.25 116.02 2k1s h VAL 59 Ca 0.15 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2k1s h VAL 59 Cb 0.27 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2k1s h VAL 59 CO -0.00 0.34 -0.18 -0.07 0.02 0.00 0.00 177.57 177.67 2k1s h LEU 60 N 0.36 0.00 0.13 2.57 3.38 -0.74 -1.43 115.31 119.57 2k1s h LEU 60 Ca 0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 2k1s h LEU 60 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k1s h LEU 60 CO 0.04 0.18 -1.35 0.50 0.09 0.00 0.00 178.44 177.90 2k1s h LYS 61 N 0.00 0.27 -0.34 1.13 3.64 -0.19 -3.16 116.57 117.91 2k1s h LYS 61 Ca -0.00 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 2k1s h LYS 61 Cb 0.56 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2k1s h LYS 61 CO 0.02 1.19 0.09 0.93 -2.27 0.00 0.00 179.45 179.41 2k1s h GLU 62 N 0.07 0.55 -3.09 1.90 5.08 -0.82 -3.38 114.58 114.90 2k1s h GLU 62 Ca -0.18 -0.13 -0.62 0.00 -1.00 0.00 0.00 59.36 57.44 2k1s h GLU 62 Cb 1.99 -0.07 -0.40 0.00 0.50 0.00 0.00 28.75 30.77 2k1s h GLU 62 CO 0.19 0.59 -0.70 0.71 -1.00 0.00 0.00 179.01 178.81 2k1s s TYR 63 N -5.32 2.49 0.00 4.33 2.02 -0.57 -5.00 117.35 115.30 2k1s s TYR 63 Ca -0.13 -2.76 -0.05 0.00 -0.37 0.00 0.00 57.07 53.76 2k1s s TYR 63 Cb 0.09 -2.22 -0.22 0.00 -0.40 0.00 0.00 41.96 39.21 2k1s s TYR 63 CO 0.75 -0.74 3.24 -0.35 -1.57 0.00 0.00 175.55 176.88 2k1s n PRO 64 N 3.19 1.76 -0.01 -1.71 -0.04 -1.19 -3.90 135.00 133.10 2k1s n PRO 64 Ca 0.10 -0.83 0.01 0.00 -0.04 0.00 0.00 63.50 62.74 2k1s n PRO 64 Cb 0.34 -1.86 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k1s n LYS 65 N 2.42 2.79 -4.54 0.54 4.76 -1.26 -4.99 118.16 117.88 2k1s n LYS 65 Ca 0.36 -1.56 -0.21 0.00 -2.87 0.00 0.00 58.31 54.02 2k1s n LYS 65 Cb 0.81 -1.03 -0.15 0.00 -1.84 0.00 0.00 35.03 32.83 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k1s s THR 66 N -1.13 0.95 0.21 -0.18 -4.23 -1.25 -0.63 115.64 109.38 2k1s s THR 66 Ca 0.03 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.06 2k1s s THR 66 Cb 0.02 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2k1s s THR 66 CO 0.00 0.27 0.34 0.00 -0.54 0.00 0.00 174.62 174.69 2k1s s ALA 67 N -0.26 3.93 -0.41 3.99 0.00 0.21 -4.82 121.76 124.41 2k1s s ALA 67 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2k1s s ALA 67 Cb -0.05 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.40 2k1s s ALA 67 CO -0.00 0.36 0.20 0.08 0.00 0.00 0.00 175.76 176.40 2k1s s VAL 68 N -1.89 3.31 -0.83 0.00 1.01 0.73 -1.34 120.40 121.38 2k1s s VAL 68 Ca 0.35 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 60.09 2k1s s VAL 68 Cb -0.10 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.13 2k1s s VAL 68 CO 0.29 -0.68 1.09 0.20 0.00 0.00 0.00 175.10 176.01 2k1s s ASN 69 N 1.83 6.44 -0.45 3.32 -0.87 -0.15 -1.27 114.94 123.78 2k1s s ASN 69 Ca 0.08 -1.58 -0.19 0.00 -1.57 0.00 0.00 52.86 49.60 2k1s s ASN 69 Cb -0.23 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 38.61 2k1s s ASN 69 CO -0.04 -1.25 0.56 0.54 -2.57 0.00 0.00 177.10 174.34 2k1s s VAL 70 N 3.43 4.94 -0.22 1.60 0.11 -0.64 -1.21 120.40 128.41 2k1s s VAL 70 Ca 0.30 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2k1s s VAL 70 Cb -0.09 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 2k1s s VAL 70 CO -0.02 -0.60 0.07 -0.63 -3.33 0.00 0.00 175.10 170.59 2k1s s ILE 71 N 2.50 4.51 -0.62 7.04 1.01 -0.43 -0.98 121.20 134.24 2k1s s ILE 71 Ca 0.16 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2k1s s ILE 71 Cb -0.17 -3.08 0.10 0.00 0.01 0.00 0.00 42.46 39.33 2k1s s ILE 71 CO 0.15 0.39 0.76 -0.83 0.00 0.00 0.00 174.94 175.41 2k1s s GLY 72 N 1.08 1.73 0.31 6.18 0.00 -0.50 -0.90 107.32 115.21 2k1s s GLY 72 Ca 0.04 -2.20 -0.01 0.00 0.00 0.00 0.00 44.72 42.55 2k1s s GLY 72 CO 0.03 1.67 0.52 -0.19 0.00 0.00 0.00 173.10 175.13 2k1s s TYR 73 N 2.87 3.49 0.01 1.90 2.02 -0.87 -3.69 117.35 123.09 2k1s s TYR 73 Ca 0.14 0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.99 2k1s s TYR 73 Cb -0.22 -1.95 0.10 0.00 -0.40 0.00 0.00 41.96 39.49 2k1s s TYR 73 CO 0.06 0.18 0.86 -0.08 -1.57 0.00 0.00 175.55 174.99 2k1s s THR 74 N -2.18 0.00 0.90 -0.71 -1.32 -0.94 -2.75 115.64 108.63 2k1s s THR 74 Ca 0.41 -0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.74 2k1s s THR 74 Cb -0.10 -1.01 0.14 0.00 -1.51 0.00 0.00 72.50 70.01 2k1s s THR 74 CO 0.33 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 173.33 2k1s s ASP 75 N -2.51 3.69 0.49 8.08 2.15 -1.26 -3.30 116.67 124.00 2k1s s ASP 75 Ca 0.05 0.68 0.26 0.00 0.43 0.00 0.00 52.55 53.97 2k1s s ASP 75 Cb -0.01 -1.07 1.32 0.00 -0.30 0.00 0.00 42.92 42.87 2k1s s ASP 75 CO -0.09 -2.41 1.86 0.77 -0.17 0.00 0.00 175.17 175.13 2k1s h SER 76 N -1.41 0.17 0.00 -0.34 4.64 -1.95 -3.42 113.55 111.24 2k1s h SER 76 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2k1s h SER 76 Cb 1.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2k1s h SER 76 CO 0.56 0.06 0.00 0.41 -0.87 0.00 0.00 176.83 176.99 2k1s n THR 77 N -4.38 0.00 0.00 2.95 -1.04 -1.26 -4.55 114.28 106.00 2k1s n THR 77 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2k1s n THR 77 Cb 0.88 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2k1s n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1s n GLY 78 N 0.00 4.07 3.68 3.41 0.00 -1.26 -5.10 105.19 110.00 2k1s n GLY 78 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2k1s n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1s n GLY 79 N 0.00 1.62 0.36 -0.02 0.00 -1.26 -4.87 105.19 101.01 2k1s n GLY 79 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 46.02 46.82 2k1s n GLY 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k1s h HIS 80 N 8.56 0.88 -0.46 1.61 -0.00 -1.99 0.05 115.15 123.80 2k1s h HIS 80 Ca -0.47 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 2k1s h HIS 80 Cb 1.23 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 28.33 2k1s h HIS 80 CO 0.80 0.45 0.19 -0.44 -0.00 0.00 0.00 177.93 178.93 2k1s h ASP 81 N 0.86 0.64 -0.62 2.45 3.32 -1.99 -0.33 116.42 120.76 2k1s h ASP 81 Ca 0.35 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 2k1s h ASP 81 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2k1s h ASP 81 CO -0.13 0.63 0.04 -0.07 -1.72 0.00 0.00 179.24 177.99 2k1s h LEU 82 N 0.61 1.04 -0.27 1.55 3.38 -1.62 -0.27 115.31 119.73 2k1s h LEU 82 Ca 0.15 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2k1s h LEU 82 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k1s h LEU 82 CO -0.01 1.07 0.13 0.78 0.09 0.00 0.00 178.44 180.50 2k1s h ASN 83 N 0.99 0.20 -0.39 -0.43 2.35 -0.74 0.13 115.58 117.68 2k1s h ASN 83 Ca 0.18 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2k1s h ASN 83 Cb 0.51 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2k1s h ASN 83 CO 0.02 0.15 0.20 -0.03 -1.65 0.00 0.00 177.43 176.12 2k1s h MET 84 N 0.28 0.56 -0.19 0.81 4.05 -0.75 0.36 114.93 120.06 2k1s h MET 84 Ca 0.11 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2k1s h MET 84 Cb 0.03 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2k1s h MET 84 CO -0.08 0.48 0.08 0.00 0.23 0.00 0.00 176.91 177.63 2k1s h ARG 85 N 0.50 0.27 -0.25 0.39 3.08 -0.81 -1.33 114.38 116.24 2k1s h ARG 85 Ca 0.14 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2k1s h ARG 85 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2k1s h ARG 85 CO -0.02 0.32 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.97 2k1s h LEU 86 N 0.16 0.42 0.22 3.04 3.38 -0.57 0.28 115.31 122.25 2k1s h LEU 86 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2k1s h LEU 86 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k1s h LEU 86 CO -0.01 0.61 -0.15 -1.28 0.09 0.00 0.00 178.44 177.70 2k1s h SER 87 N 0.40 -0.38 -0.17 -0.43 0.87 0.06 0.21 113.55 114.12 2k1s h SER 87 Ca 0.07 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2k1s h SER 87 Cb 0.52 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2k1s h SER 87 CO 0.03 -0.24 -0.04 -0.61 -0.53 0.00 0.00 176.83 175.44 2k1s h GLN 88 N -0.37 0.33 -0.28 2.24 5.75 -1.01 -2.30 115.11 119.47 2k1s h GLN 88 Ca -0.02 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 2k1s h GLN 88 Cb 0.31 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2k1s h GLN 88 CO 0.01 0.60 -0.02 0.37 -2.65 0.00 0.00 178.83 177.15 2k1s h GLN 89 N 0.04 0.42 -0.12 1.69 4.15 -0.39 0.47 115.11 121.36 2k1s h GLN 89 Ca 0.04 -0.08 -0.23 0.00 0.77 0.00 0.00 58.65 59.15 2k1s h GLN 89 Cb 0.48 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.12 2k1s h GLN 89 CO 0.02 0.46 -0.83 -0.09 -1.93 0.00 0.00 178.83 176.46 2k1s h ARG 90 N 0.41 0.74 -0.29 1.69 2.43 -0.53 0.37 114.38 119.19 2k1s h ARG 90 Ca 0.09 -0.64 -0.10 0.00 -0.81 0.00 0.00 59.98 58.52 2k1s h ARG 90 Cb 0.30 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k1s h ARG 90 CO 0.01 1.24 -0.20 0.00 -1.51 0.00 0.00 179.97 179.51 2k1s h ALA 91 N 0.57 0.42 -0.65 2.80 0.00 -0.93 -2.80 119.26 118.67 2k1s h ALA 91 Ca -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k1s h ALA 91 Cb 1.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2k1s h ALA 91 CO 0.17 0.36 0.34 0.22 0.00 0.00 0.00 179.25 180.34 2k1s h ASP 92 N 0.40 0.82 -0.57 0.00 3.58 -0.05 -0.97 116.42 119.62 2k1s h ASP 92 Ca 0.06 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 2k1s h ASP 92 Cb 0.75 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2k1s h ASP 92 CO 0.05 0.69 0.08 0.77 -2.88 0.00 0.00 179.24 177.96 2k1s h SER 93 N 0.89 0.92 -0.45 2.28 4.64 -0.92 0.23 113.55 121.15 2k1s h SER 93 Ca 0.23 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2k1s h SER 93 Cb 0.06 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2k1s h SER 93 CO -0.03 0.95 0.12 0.58 -0.87 0.00 0.00 176.83 177.58 2k1s h VAL 94 N 0.85 1.23 0.11 0.95 2.07 -1.36 -1.56 116.25 118.54 2k1s h VAL 94 Ca 0.17 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2k1s h VAL 94 Cb 0.43 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k1s h VAL 94 CO 0.01 0.28 -0.05 0.00 0.02 0.00 0.00 177.57 177.83 2k1s h ALA 95 N 0.98 -0.15 -0.18 1.67 0.00 -0.81 -2.42 119.26 118.35 2k1s h ALA 95 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 95 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k1s h ALA 95 CO -0.00 -0.54 0.02 0.66 0.00 0.00 0.00 179.25 179.39 2k1s h SER 96 N -0.24 0.23 0.16 0.00 4.64 -0.53 -1.04 113.55 116.77 2k1s h SER 96 Ca -0.02 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2k1s h SER 96 Cb 0.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2k1s h SER 96 CO 0.02 0.26 -0.08 0.00 -0.87 0.00 0.00 176.83 176.17 2k1s h ALA 97 N 1.77 -0.21 -0.83 5.18 0.00 -1.02 -1.64 119.26 122.51 2k1s h ALA 97 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k1s h ALA 97 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k1s h ALA 97 CO -0.00 -0.62 0.54 -0.07 0.00 0.00 0.00 179.25 179.11 2k1s h LEU 98 N -0.23 0.93 -1.83 0.00 3.38 -0.87 -0.74 115.31 115.96 2k1s h LEU 98 Ca -0.02 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2k1s h LEU 98 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2k1s h LEU 98 CO 0.04 0.66 0.22 0.40 0.09 0.00 0.00 178.44 179.85 2k1s h ILE 99 N 1.10 0.95 -0.13 1.22 2.04 -1.00 -2.22 117.51 119.48 2k1s h ILE 99 Ca 0.31 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 2k1s h ILE 99 Cb -0.09 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2k1s h ILE 99 CO -0.08 0.04 -0.15 0.74 0.00 0.00 0.00 178.15 178.70 2k1s h THR 100 N 0.22 1.18 0.00 -0.27 2.02 -0.14 -0.39 112.91 115.53 2k1s h THR 100 Ca 0.14 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2k1s h THR 100 Cb 0.28 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2k1s h THR 100 CO -0.02 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.11 2k1s n GLN 101 N -4.27 0.86 0.00 6.66 3.00 -0.84 -4.84 117.38 117.95 2k1s n GLN 101 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k1s n GLN 101 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.01 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1s n GLY 102 N 1.00 1.81 3.70 1.08 0.00 -0.16 -5.00 105.19 107.61 2k1s n GLY 102 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N -2.00 5.15 0.05 1.61 1.01 -1.18 -5.02 120.40 120.02 2k1s s VAL 103 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 2k1s s VAL 103 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2k1s s VAL 103 CO 0.00 0.27 1.88 -0.62 0.00 0.00 0.00 175.10 176.63 2k1s s ASP 104 N 0.84 6.47 0.00 3.32 2.15 -1.26 -4.31 116.67 123.88 2k1s s ASP 104 Ca 0.25 2.65 0.20 0.00 0.43 0.00 0.00 52.55 56.08 2k1s s ASP 104 Cb -0.15 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 41.01 2k1s s ASP 104 CO 0.10 -1.02 1.61 0.00 -0.17 0.00 0.00 175.17 175.69 2k1s n ALA 105 N 6.87 2.13 1.52 3.66 0.00 -1.26 -2.31 120.51 131.13 2k1s n ALA 105 Ca 0.19 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2k1s n ALA 105 Cb 0.40 -1.32 0.78 0.00 0.00 0.00 0.00 19.45 19.31 2k1s n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k1s n SER 106 N -1.16 0.00 -0.27 0.00 7.64 -1.26 -2.65 113.62 115.92 2k1s n SER 106 Ca 0.12 -0.37 0.04 0.00 1.01 0.00 0.00 58.87 59.67 2k1s n SER 106 Cb 0.12 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 2k1s n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k1s n ARG 107 N -1.20 1.13 -3.99 1.43 1.74 -0.98 -4.95 116.66 109.85 2k1s n ARG 107 Ca 0.16 -0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 56.11 2k1s n ARG 107 Cb 0.19 -1.10 -0.15 0.00 -1.02 0.00 0.00 32.46 30.39 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k1s s ILE 108 N -0.94 2.79 -0.13 0.55 1.01 -1.08 -0.19 121.20 123.21 2k1s s ILE 108 Ca 0.09 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2k1s s ILE 108 Cb 0.07 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2k1s s ILE 108 CO 0.15 0.36 -0.18 -0.60 0.00 0.00 0.00 174.94 174.67 2k1s s ARG 109 N 1.36 3.20 -0.08 2.79 6.06 -0.40 -4.93 118.95 126.95 2k1s s ARG 109 Ca 0.03 -0.78 -0.17 0.00 -2.50 0.00 0.00 55.73 52.31 2k1s s ARG 109 Cb -0.15 -2.50 -0.05 0.00 0.06 0.00 0.00 34.95 32.32 2k1s s ARG 109 CO -0.06 0.14 0.45 0.95 -2.50 0.00 0.00 175.30 174.27 2k1s s THR 110 N 0.49 5.13 -0.25 4.11 -4.23 -1.26 -1.63 115.64 118.01 2k1s s THR 110 Ca -0.12 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 2k1s s THR 110 Cb -0.16 -3.78 0.06 0.00 1.34 0.00 0.00 72.50 69.95 2k1s s THR 110 CO 0.05 0.41 -0.11 -1.10 -0.54 0.00 0.00 174.62 173.33 2k1s s GLN 111 N 0.08 2.23 -0.62 3.99 -0.21 -0.15 -4.98 119.66 120.01 2k1s s GLN 111 Ca 0.25 -1.25 -0.16 0.00 0.02 0.00 0.00 55.36 54.22 2k1s s GLN 111 Cb -0.16 -2.81 0.15 0.00 1.00 0.00 0.00 33.01 31.19 2k1s s GLN 111 CO 0.11 -0.54 0.59 0.20 -2.12 0.00 0.00 175.29 173.54 2k1s s GLY 112 N 1.16 2.19 -0.08 3.09 0.00 -1.26 -1.41 107.32 111.00 2k1s s GLY 112 Ca -0.07 -2.70 0.14 0.00 0.00 0.00 0.00 44.72 42.09 2k1s s GLY 112 CO -0.06 1.26 0.18 1.04 0.00 0.00 0.00 173.10 175.53 2k1s n LEU 113 N 5.07 0.00 0.00 0.66 4.77 -1.26 -4.87 117.00 121.37 2k1s n LEU 113 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2k1s n LEU 113 Cb 0.42 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2k1s n LEU 113 CO 0.49 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2k1s n GLY 114 N 1.89 2.64 1.32 -0.72 0.00 -1.24 -2.57 105.19 106.52 2k1s n GLY 114 Ca -0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2k1s n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1s n PRO 115 N 13.62 1.52 0.34 1.61 -0.05 -1.21 -3.70 135.00 147.13 2k1s n PRO 115 Ca 0.00 -0.96 -0.18 0.00 -0.05 0.00 0.00 63.50 62.32 2k1s n PRO 115 Cb 0.00 -1.43 -0.09 0.00 -0.05 0.00 0.00 33.50 31.94 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k1s h ALA 116 N 1.82 -0.95 -3.21 0.55 0.00 -1.81 -3.39 119.26 112.28 2k1s h ALA 116 Ca 0.17 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 2k1s h ALA 116 Cb 1.50 0.46 -0.40 0.00 0.00 0.00 0.00 17.79 19.35 2k1s h ALA 116 CO 0.32 -1.05 -0.75 0.54 0.00 0.00 0.00 179.25 178.31 2k1s s ASN 117 N -4.40 4.09 0.49 0.00 4.22 -1.26 -5.13 114.94 112.95 2k1s s ASN 117 Ca -0.18 -1.67 -0.20 0.00 -2.14 0.00 0.00 52.86 48.67 2k1s s ASN 117 Cb 0.04 -0.94 -0.08 0.00 1.28 0.00 0.00 41.25 41.56 2k1s s ASN 117 CO 0.62 -0.41 1.07 -2.84 -2.04 0.00 0.00 177.10 173.50 2k1s s PRO 118 N 1.55 3.72 0.22 3.55 0.02 -1.26 -4.96 135.00 137.83 2k1s s PRO 118 Ca 0.10 1.45 0.23 0.00 0.02 0.00 0.00 61.00 62.80 2k1s s PRO 118 Cb -0.17 -2.12 0.06 0.00 0.02 0.00 0.00 34.50 32.29 2k1s s PRO 118 CO -0.23 -0.52 1.12 -0.84 -0.33 0.00 0.00 177.00 176.20 2k1s h ILE 119 N 1.54 0.00 -4.39 2.83 3.07 -1.94 -3.47 117.51 115.14 2k1s h ILE 119 Ca -0.50 -0.94 -0.35 0.00 1.55 0.00 0.00 64.86 64.63 2k1s h ILE 119 Cb 1.23 1.49 -0.14 0.00 -0.27 0.00 0.00 36.82 39.13 2k1s h ILE 119 CO 0.59 0.00 -0.58 0.00 -1.05 0.00 0.00 178.15 177.11 2k1s s ALA 120 N -3.33 1.58 0.15 0.16 0.00 -1.26 -5.10 121.76 113.97 2k1s s ALA 120 Ca 0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 2k1s s ALA 120 Cb 0.10 1.31 -0.10 0.00 0.00 0.00 0.00 23.12 24.43 2k1s s ALA 120 CO 0.77 -0.57 1.54 -1.12 0.00 0.00 0.00 175.76 176.38 2k1s s SER 121 N -3.28 6.63 0.38 0.00 0.01 -1.26 -4.89 113.70 111.29 2k1s s SER 121 Ca 0.38 2.56 0.27 0.00 1.31 0.00 0.00 55.95 60.47 2k1s s SER 121 Cb 0.06 -2.59 0.96 0.00 0.21 0.00 0.00 66.02 64.65 2k1s s SER 121 CO 0.17 -0.79 1.79 0.78 0.41 0.00 0.00 173.24 175.60 2k1s h ASN 122 N 6.85 0.00 0.54 2.44 2.35 -1.99 -3.05 115.58 122.72 2k1s h ASN 122 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2k1s h ASN 122 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2k1s h ASN 122 CO 0.91 0.00 -0.01 -0.24 -1.65 0.00 0.00 177.43 176.44 2k1s n SER 123 N -2.68 0.03 -4.62 5.81 2.88 -1.26 -4.66 113.62 109.12 2k1s n SER 123 Ca 0.03 -0.20 -0.31 0.00 -1.33 0.00 0.00 58.87 57.06 2k1s n SER 123 Cb 0.35 -0.26 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 2k1s n SER 123 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k1s s THR 124 N -2.55 3.66 0.40 2.46 -4.23 -1.15 -5.00 115.64 109.22 2k1s s THR 124 Ca 0.29 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.89 2k1s s THR 124 Cb 0.20 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.52 2k1s s THR 124 CO 0.46 0.21 1.92 0.00 -0.54 0.00 0.00 174.62 176.67 2k1s h ALA 125 N 3.87 1.53 -0.58 3.99 0.00 -1.88 -1.89 119.26 124.31 2k1s h ALA 125 Ca -0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2k1s h ALA 125 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2k1s h ALA 125 CO 0.55 0.34 0.29 0.93 0.00 0.00 0.00 179.25 181.35 2k1s h GLU 126 N 0.18 0.82 -0.56 0.00 5.08 -1.95 -0.71 114.58 117.44 2k1s h GLU 126 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2k1s h GLU 126 Cb 0.38 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2k1s h GLU 126 CO 0.02 0.66 0.29 0.78 -1.00 0.00 0.00 179.01 179.76 2k1s h GLY 127 N 0.78 0.86 2.00 -3.84 0.00 -1.50 0.76 103.07 102.13 2k1s h GLY 127 Ca 0.20 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2k1s h GLY 127 CO -0.03 0.39 -0.27 0.50 0.00 0.00 0.00 176.54 177.13 2k1s h LYS 128 N 0.76 0.00 0.00 4.80 1.57 -1.08 0.28 116.57 122.90 2k1s h LYS 128 Ca 0.20 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.76 2k1s h LYS 128 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2k1s h LYS 128 CO -0.03 0.27 -1.19 0.00 -0.57 0.00 0.00 179.45 177.93 2k1s h ALA 129 N 1.73 0.56 0.15 3.86 0.00 -0.74 -3.30 119.26 121.52 2k1s h ALA 129 Ca -0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 54.91 53.56 2k1s h ALA 129 Cb 0.58 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k1s h ALA 129 CO 0.04 1.23 -1.70 0.37 0.00 0.00 0.00 179.25 179.18 2k1s h GLN 130 N 0.00 0.31 -0.37 0.00 4.15 -0.34 -3.33 115.11 115.52 2k1s h GLN 130 Ca -0.11 -0.53 -0.03 0.00 0.77 0.00 0.00 58.65 58.75 2k1s h GLN 130 Cb 1.77 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 29.64 2k1s h GLN 130 CO 0.10 1.19 0.12 -0.91 -1.93 0.00 0.00 178.83 177.39 2k1s h ASN 131 N 0.08 0.49 -1.10 -0.69 2.35 -0.62 -3.36 115.58 112.74 2k1s h ASN 131 Ca -0.32 -0.06 -0.44 0.00 -0.55 0.00 0.00 56.30 54.94 2k1s h ASN 131 Cb 2.06 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 40.24 2k1s h ASN 131 CO 0.16 0.47 1.08 -0.13 -1.65 0.00 0.00 177.43 177.36 2k1s s ARG 132 N -5.19 2.95 0.30 0.81 0.52 -1.24 -2.21 118.95 114.88 2k1s s ARG 132 Ca -0.08 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 54.48 2k1s s ARG 132 Cb 0.16 -5.03 0.02 0.00 0.52 0.00 0.00 34.95 30.63 2k1s s ARG 132 CO 0.75 -2.83 0.70 -0.98 0.02 0.00 0.00 175.30 172.96 2k1s s ARG 133 N 6.24 1.84 -0.22 3.54 1.70 -1.11 -3.49 118.95 127.45 2k1s s ARG 133 Ca 0.59 -1.12 -0.01 0.00 -0.47 0.00 0.00 55.73 54.72 2k1s s ARG 133 Cb -0.05 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 2k1s s ARG 133 CO -0.00 -0.84 -0.11 0.08 -1.08 0.00 0.00 175.30 173.34 2k1s s VAL 134 N -3.63 2.61 -0.57 4.99 1.01 -0.04 -2.05 120.40 122.73 2k1s s VAL 134 Ca 0.14 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2k1s s VAL 134 Cb -0.05 -2.24 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2k1s s VAL 134 CO 0.08 0.35 0.70 -1.61 0.00 0.00 0.00 175.10 174.63 2k1s s GLU 135 N 1.32 3.07 -0.79 2.72 0.41 -0.07 -1.60 118.70 123.76 2k1s s GLU 135 Ca 0.02 -1.16 -0.21 0.00 -0.41 0.00 0.00 54.97 53.21 2k1s s GLU 135 Cb -0.15 -4.22 0.09 0.00 -1.78 0.00 0.00 34.13 28.07 2k1s s GLU 135 CO -0.07 -1.48 1.07 0.42 -0.49 0.00 0.00 175.26 174.71 2k1s s ILE 136 N 2.78 4.44 -0.53 -1.63 -1.09 -0.97 -1.31 121.20 122.89 2k1s s ILE 136 Ca 0.13 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 2k1s s ILE 136 Cb -0.22 -4.75 0.10 0.00 -1.58 0.00 0.00 42.46 36.01 2k1s s ILE 136 CO 0.08 -1.52 0.53 -0.89 -1.23 0.00 0.00 174.94 171.91 2k1s s THR 137 N 3.64 5.10 -0.21 2.92 2.01 -0.35 -0.73 115.64 128.02 2k1s s THR 137 Ca 0.28 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 2k1s s THR 137 Cb -0.11 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.09 2k1s s THR 137 CO 0.01 -0.85 1.09 -0.76 -0.69 0.00 0.00 174.62 173.42 2k1s s LEU 138 N 1.94 4.12 0.06 4.42 1.43 0.26 -0.98 118.68 129.94 2k1s s LEU 138 Ca 0.06 1.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2k1s s LEU 138 Cb -0.26 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2k1s s LEU 138 CO 0.05 -0.68 -0.14 -0.94 0.23 0.00 0.00 176.35 174.87 2k1s s SER 139 N 1.36 4.09 0.07 2.29 1.04 -0.45 -2.10 113.70 120.01 2k1s s SER 139 Ca 0.46 -0.38 -0.31 0.00 0.48 0.00 0.00 55.95 56.20 2k1s s SER 139 Cb -0.16 -0.74 -0.09 0.00 0.10 0.00 0.00 66.02 65.13 2k1s s SER 139 CO 0.08 0.23 1.78 -2.16 0.98 0.00 0.00 173.24 174.15 2k1s s PRO 140 N -1.70 4.16 -0.03 4.02 0.04 -1.26 0.67 135.00 140.90 2k1s s PRO 140 Ca 0.17 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2k1s s PRO 140 Cb -0.11 -3.72 -0.06 0.00 0.04 0.00 0.00 34.50 30.64 2k1s s PRO 140 CO 0.08 -0.82 1.73 -0.51 0.04 0.00 0.00 177.00 177.52 2k1s s LEU 141 N 3.10 4.34 1.10 -3.56 1.43 0.20 -4.78 118.68 120.51 2k1s s LEU 141 Ca 0.79 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 56.10 2k1s s LEU 141 Cb -0.42 -3.53 0.25 0.00 0.03 0.00 0.00 46.19 42.52 2k1s s LEU 141 CO 0.35 -0.97 1.06 -0.76 0.23 0.00 0.00 176.35 176.26 2k1s s LEU 142 N 4.18 1.37 -0.58 1.79 1.43 -1.26 -4.77 118.68 120.84 2k1s s LEU 142 Ca 0.77 1.73 -0.26 0.00 -1.03 0.00 0.00 54.13 55.34 2k1s s LEU 142 Cb -0.35 -3.76 -0.10 0.00 0.03 0.00 0.00 46.19 42.01 2k1s s LEU 142 CO 0.33 -3.95 2.45 -0.62 0.23 0.00 0.00 176.35 174.78 2k1s n GLU 143 N -4.77 0.86 -0.06 1.70 1.02 -1.26 -4.76 120.64 113.38 2k1s n GLU 143 Ca 0.05 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.88 2k1s n GLU 143 Cb 0.53 -3.24 -0.13 0.00 -0.02 0.00 0.00 31.44 28.59 2k1s n GLU 143 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k1s n HIS 144 N 15.54 0.82 0.00 -0.32 -0.00 -1.26 -5.04 115.22 124.95 2k1s n HIS 144 Ca 0.42 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.82 2k1s n HIS 144 Cb 0.48 -1.10 0.00 0.00 -0.12 0.00 0.00 29.99 29.25 2k1s n HIS 144 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k1s n HIS 145 N -3.74 0.00 0.00 1.57 -0.00 -1.26 -5.12 115.22 106.66 2k1s n HIS 145 Ca -0.37 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.81 2k1s n HIS 145 Cb 0.93 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.80 2k1s n HIS 145 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k1s n HIS 146 N 0.00 0.00 -4.19 1.57 8.25 -1.26 -5.12 115.22 114.47 2k1s n HIS 146 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2k1s n HIS 146 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2k1s n HIS 146 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k1s s HIS 147 N 0.00 1.23 -0.35 4.41 3.76 -1.26 -5.00 115.29 118.07 2k1s s HIS 147 Ca 0.00 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.46 2k1s s HIS 147 Cb 0.00 -0.67 -0.09 0.00 1.11 0.00 0.00 32.58 32.93 2k1s s HIS 147 CO 0.00 0.07 0.32 -2.39 -0.85 0.00 0.00 174.74 171.89 2k1s n HIS 148 N 0.92 0.00 -0.93 1.40 1.44 -1.26 -5.25 115.22 111.54 2k1s n HIS 148 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2k1s n HIS 148 Cb 0.56 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.66 2k1s n HIS 148 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11