#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kel s VAL 2 N 0.00 5.40 -0.18 2.53 1.01 -0.75 -4.96 120.40 123.45 1kel s VAL 2 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1kel s VAL 2 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1kel s VAL 2 CO 0.00 0.58 0.08 -0.22 0.00 0.00 0.00 175.10 175.54 1kel s LEU 3 N -0.68 3.93 -0.11 3.92 2.96 -1.26 -4.08 118.68 123.35 1kel s LEU 3 Ca 0.13 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1kel s LEU 3 Cb -0.12 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1kel s LEU 3 CO 0.03 0.20 0.07 -0.32 -1.32 0.00 0.00 176.35 175.00 1kel s MET 4 N 0.22 3.30 -0.20 1.98 -2.45 -1.26 -0.54 119.30 120.36 1kel s MET 4 Ca 0.05 -0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.19 1kel s MET 4 Cb -0.12 -3.01 0.06 0.00 1.25 0.00 0.00 34.83 33.01 1kel s MET 4 CO -0.00 0.68 0.02 0.99 1.05 0.00 0.00 175.02 177.76 1kel s THR 5 N -0.79 0.67 -0.20 10.11 2.01 0.19 -4.97 115.64 122.65 1kel s THR 5 Ca 0.13 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.39 1kel s THR 5 Cb -0.12 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1kel s THR 5 CO 0.03 -0.18 0.12 -1.58 -0.69 0.00 0.00 174.62 172.32 1kel s GLN 6 N 1.79 4.14 0.02 4.92 0.74 -1.26 -1.39 119.66 128.63 1kel s GLN 6 Ca -0.01 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1kel s GLN 6 Cb -0.17 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 1kel s GLN 6 CO -0.08 0.27 -0.03 0.95 -0.55 0.00 0.00 175.29 175.86 1kel s THR 7 N 0.42 0.13 0.45 -0.34 -4.23 0.29 -4.59 115.64 107.78 1kel s THR 7 Ca 0.07 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 1kel s THR 7 Cb -0.11 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.41 1kel s THR 7 CO -0.01 -0.51 0.64 -2.16 -0.54 0.00 0.00 174.62 172.04 1kel s PRO 8 N -1.56 2.86 0.13 3.99 0.04 -1.26 -0.41 135.00 138.80 1kel s PRO 8 Ca -0.15 -0.83 -0.18 0.00 0.04 0.00 0.00 61.00 59.88 1kel s PRO 8 Cb -0.09 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1kel s PRO 8 CO -0.01 -0.35 1.76 -0.07 0.04 0.00 0.00 177.00 178.37 1kel h LEU 9 N 0.44 0.16 -8.44 -3.56 4.07 -1.81 -3.37 115.31 102.80 1kel h LEU 9 Ca -0.44 0.02 -0.62 0.00 0.08 0.00 0.00 57.88 56.92 1kel h LEU 9 Cb 1.27 -0.01 -0.30 0.00 1.08 0.00 0.00 40.66 42.70 1kel h LEU 9 CO 0.52 0.13 -0.86 -0.55 -1.08 0.00 0.00 178.44 176.60 1kel s SER 10 N -5.36 2.51 -0.33 -0.43 0.15 -1.26 -0.84 113.70 108.14 1kel s SER 10 Ca -0.13 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.12 1kel s SER 10 Cb 0.10 -0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.19 1kel s SER 10 CO 0.70 0.25 0.14 -0.22 1.20 0.00 0.00 173.24 175.31 1kel s LEU 11 N -0.44 1.86 0.14 3.45 2.96 -0.60 -4.89 118.68 121.15 1kel s LEU 11 Ca 0.07 -1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 51.86 1kel s LEU 11 Cb -0.09 -0.74 -0.07 0.00 0.50 0.00 0.00 46.19 45.79 1kel s LEU 11 CO -0.00 -0.38 1.13 -2.84 -1.32 0.00 0.00 176.35 172.93 1kel s PRO 12 N 1.42 4.54 0.19 0.98 0.02 -1.26 -1.32 135.00 139.57 1kel s PRO 12 Ca 0.12 1.73 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 1kel s PRO 12 Cb -0.19 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.01 1kel s PRO 12 CO -0.20 -0.02 0.28 0.14 -0.33 0.00 0.00 177.00 176.87 1kel s VAL 13 N 0.14 0.04 0.04 3.83 -7.23 0.11 -4.81 120.40 112.52 1kel s VAL 13 Ca 0.52 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1kel s VAL 13 Cb -0.29 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1kel s VAL 13 CO 0.33 -0.19 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.43 1kel s SER 14 N -3.02 4.58 0.25 4.85 0.01 -1.26 -0.15 113.70 118.97 1kel s SER 14 Ca 0.23 -0.22 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 1kel s SER 14 Cb 0.03 -1.01 -0.12 0.00 0.21 0.00 0.00 66.02 65.13 1kel s SER 14 CO 0.05 0.24 1.54 0.18 0.41 0.00 0.00 173.24 175.66 1kel n LEU 15 N 1.22 3.77 0.00 2.44 4.77 -1.26 -1.63 117.00 126.32 1kel n LEU 15 Ca -0.14 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 1kel n LEU 15 Cb 0.52 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1kel n LEU 15 CO 0.32 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1kel n GLY 16 N 2.45 3.33 3.90 -0.72 0.00 0.97 -4.90 105.19 110.22 1kel n GLY 16 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1kel n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kel s ASP 17 N -0.35 4.84 0.16 1.61 1.01 -0.64 -3.71 116.67 119.59 1kel s ASP 17 Ca 0.00 0.89 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 1kel s ASP 17 Cb 0.00 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 1kel s ASP 17 CO 0.00 -1.70 0.34 -1.58 0.21 0.00 0.00 175.17 172.44 1kel s GLN 18 N -5.49 3.51 0.04 8.23 0.74 -1.26 -0.44 119.66 124.99 1kel s GLN 18 Ca 0.61 -0.36 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1kel s GLN 18 Cb -0.11 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1kel s GLN 18 CO 0.50 0.46 -0.22 0.00 -0.55 0.00 0.00 175.29 175.48 1kel s ALA 19 N -1.76 1.87 -0.06 1.58 0.00 0.56 -4.97 121.76 118.98 1kel s ALA 19 Ca 0.38 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1kel s ALA 19 Cb -0.11 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1kel s ALA 19 CO 0.28 0.43 -0.10 -1.12 0.00 0.00 0.00 175.76 175.25 1kel s SER 20 N -1.19 1.55 -0.03 0.00 0.01 -1.26 -1.06 113.70 111.72 1kel s SER 20 Ca 0.08 -0.25 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1kel s SER 20 Cb -0.09 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 1kel s SER 20 CO 0.02 0.00 -0.25 -0.63 0.41 0.00 0.00 173.24 172.79 1kel s ILE 21 N 0.77 2.00 -0.12 1.44 1.01 0.76 -4.80 121.20 122.25 1kel s ILE 21 Ca -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1kel s ILE 21 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1kel s ILE 21 CO 0.02 0.56 -0.04 -0.55 0.00 0.00 0.00 174.94 174.94 1kel s SER 22 N -0.45 4.82 -0.16 3.58 0.15 0.45 -0.82 113.70 121.27 1kel s SER 22 Ca 0.06 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 1kel s SER 22 Cb -0.11 -1.59 0.04 0.00 -1.71 0.00 0.00 66.02 62.65 1kel s SER 22 CO 0.00 0.25 -0.07 0.00 1.20 0.00 0.00 173.24 174.62 1kel s ARG 24 N 1.60 1.15 0.05 0.00 0.52 -0.48 0.74 118.95 122.52 1kel s ARG 24 Ca 0.01 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 54.01 1kel s ARG 24 Cb -0.15 -1.21 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 1kel s ARG 24 CO -0.08 0.26 -0.17 -0.06 0.02 0.00 0.00 175.30 175.26 1kel s PHE 25 N -1.79 1.52 -0.53 -0.53 0.40 0.11 0.54 117.98 117.69 1kel s PHE 25 Ca 0.11 -0.38 0.18 0.00 -0.60 0.00 0.00 56.93 56.24 1kel s PHE 25 Cb -0.07 -0.89 0.84 0.00 0.51 0.00 0.00 43.02 43.42 1kel s PHE 25 CO 0.05 0.08 1.54 -1.13 0.70 0.00 0.00 175.22 176.46 1kel n SER 26 N 1.72 0.43 -3.81 1.36 3.41 0.30 -4.76 113.62 112.27 1kel n SER 26 Ca -0.18 0.65 -0.05 0.00 -0.26 0.00 0.00 58.87 59.03 1kel n SER 26 Cb 0.54 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 1kel n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kel s GLN 27 N -3.31 1.51 0.33 4.33 -2.07 -1.26 -4.92 119.66 114.26 1kel s GLN 27 Ca 0.02 -0.83 -0.29 0.00 -1.82 0.00 0.00 55.36 52.43 1kel s GLN 27 Cb 0.07 0.52 -0.11 0.00 -1.09 0.00 0.00 33.01 32.39 1kel s GLN 27 CO 0.24 -0.69 1.51 0.45 -1.32 0.00 0.00 175.29 175.48 1kel s SER 28 N -2.93 6.42 -0.11 12.60 0.15 -1.26 -4.67 113.70 123.91 1kel s SER 28 Ca 0.12 2.94 0.14 0.00 0.70 0.00 0.00 55.95 59.85 1kel s SER 28 Cb -0.04 -2.65 0.34 0.00 -1.71 0.00 0.00 66.02 61.97 1kel s SER 28 CO 0.05 -0.84 1.25 2.30 1.20 0.00 0.00 173.24 177.19 1kel n ILE 29 N 1.38 1.80 -2.19 6.45 -5.35 -0.99 -5.01 119.36 115.45 1kel n ILE 29 Ca 0.04 -1.78 -0.42 0.00 -0.27 0.00 0.00 62.75 60.33 1kel n ILE 29 Cb 0.39 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 1kel n ILE 29 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kel s VAL 30 N -2.35 3.27 0.49 7.28 1.01 -1.26 -4.54 120.40 124.31 1kel s VAL 30 Ca 0.30 0.96 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 1kel s VAL 30 Cb 0.24 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1kel s VAL 30 CO 0.06 0.10 0.85 -2.28 0.00 0.00 0.00 175.10 173.83 1kel s HIS 31 N 0.70 3.55 0.53 5.22 2.46 0.47 -4.97 115.29 123.25 1kel s HIS 31 Ca 0.61 1.01 0.23 0.00 0.47 0.00 0.00 55.06 57.38 1kel s HIS 31 Cb -0.37 -2.45 1.49 0.00 -0.13 0.00 0.00 32.58 31.12 1kel s HIS 31 CO 0.34 -0.33 2.17 0.66 -2.47 0.00 0.00 174.74 175.10 1kel h SER 32 N 0.41 0.00 0.04 9.88 4.64 -1.95 0.99 113.55 127.56 1kel h SER 32 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1kel h SER 32 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1kel h SER 32 CO 0.62 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 1kel n ASN 33 N -4.13 0.00 0.00 4.97 2.04 -1.26 -4.85 115.26 112.03 1kel n ASN 33 Ca -0.03 -0.70 0.00 0.00 -0.44 0.00 0.00 54.58 53.41 1kel n ASN 33 Cb 0.12 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1kel n ASN 33 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1kel n GLY 34 N 0.55 2.50 3.91 4.83 0.00 0.34 -5.06 105.19 112.27 1kel n GLY 34 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1kel n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kel s ASN 35 N -1.35 5.86 -0.23 1.61 0.01 -1.26 -4.76 114.94 114.83 1kel s ASN 35 Ca 0.00 0.81 -0.02 0.00 -0.71 0.00 0.00 52.86 52.94 1kel s ASN 35 Cb 0.00 -1.92 0.07 0.00 0.41 0.00 0.00 41.25 39.81 1kel s ASN 35 CO 0.00 -0.87 0.04 -0.89 -1.51 0.00 0.00 177.10 173.87 1kel s THR 36 N -2.90 0.76 -1.54 1.60 2.01 -1.26 -0.40 115.64 113.92 1kel s THR 36 Ca 0.51 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1kel s THR 36 Cb -0.10 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1kel s THR 36 CO 0.45 -0.33 2.61 -1.22 -0.69 0.00 0.00 174.62 175.44 1kel n TYR 37 N 4.94 2.89 -3.95 4.92 4.01 -1.26 -3.61 117.16 125.09 1kel n TYR 37 Ca -0.07 -3.03 -0.35 0.00 -0.16 0.00 0.00 57.90 54.29 1kel n TYR 37 Cb 0.45 -2.47 -0.13 0.00 -0.31 0.00 0.00 39.34 36.88 1kel n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1kel s LEU 38 N 0.85 3.14 0.24 7.72 1.98 -1.26 -4.31 118.68 127.03 1kel s LEU 38 Ca 0.59 -0.28 0.11 0.00 -2.89 0.00 0.00 54.13 51.66 1kel s LEU 38 Cb 0.16 -1.81 -0.05 0.00 0.66 0.00 0.00 46.19 45.16 1kel s LEU 38 CO -0.07 0.01 -0.21 -1.61 -1.89 0.00 0.00 176.35 172.58 1kel s GLU 39 N 1.33 1.57 -0.05 1.98 2.02 0.63 -0.78 118.70 125.40 1kel s GLU 39 Ca 0.04 -1.66 0.04 0.00 0.02 0.00 0.00 54.97 53.41 1kel s GLU 39 Cb -0.15 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.38 1kel s GLU 39 CO 0.00 0.33 -0.15 -1.58 0.02 0.00 0.00 175.26 173.88 1kel s TRP 40 N -2.27 1.57 0.09 1.61 0.52 0.03 -0.35 118.94 120.14 1kel s TRP 40 Ca 0.26 -0.47 0.05 0.00 0.02 0.00 0.00 56.10 55.96 1kel s TRP 40 Cb -0.06 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1kel s TRP 40 CO 0.12 -0.18 -0.14 0.71 0.02 0.00 0.00 176.95 177.49 1kel s TYR 41 N 0.17 1.26 -0.08 -1.98 2.02 -0.22 -0.67 117.35 117.85 1kel s TYR 41 Ca -0.06 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1kel s TYR 41 Cb -0.12 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1kel s TYR 41 CO 0.02 0.08 -0.23 -1.17 -1.57 0.00 0.00 175.55 172.68 1kel s LEU 42 N -2.06 2.18 -0.25 -1.29 2.96 -0.39 -1.07 118.68 118.76 1kel s LEU 42 Ca 0.03 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1kel s LEU 42 Cb -0.07 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.27 1kel s LEU 42 CO 0.02 0.22 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.66 1kel s GLN 43 N -0.01 1.57 0.49 1.98 0.74 0.29 -0.82 119.66 123.90 1kel s GLN 43 Ca -0.08 -1.12 -0.13 0.00 0.05 0.00 0.00 55.36 54.08 1kel s GLN 43 Cb -0.15 -2.63 -0.06 0.00 1.10 0.00 0.00 33.01 31.27 1kel s GLN 43 CO 0.05 -0.67 0.90 0.15 -0.55 0.00 0.00 175.29 175.18 1kel s LYS 44 N 1.34 3.81 0.07 1.67 1.02 -1.26 -0.92 119.74 125.45 1kel s LYS 44 Ca -0.03 0.70 -0.35 0.00 0.02 0.00 0.00 55.97 56.31 1kel s LYS 44 Cb -0.19 -2.23 -0.15 0.00 -0.52 0.00 0.00 37.83 34.74 1kel s LYS 44 CO -0.08 -0.23 1.54 0.45 -0.92 0.00 0.00 175.35 176.11 1kel n SER 45 N -1.71 2.55 -1.58 2.83 2.88 -1.26 -1.49 113.62 115.83 1kel n SER 45 Ca 0.05 1.08 -0.15 0.00 -1.33 0.00 0.00 58.87 58.52 1kel n SER 45 Cb 0.54 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.67 1kel n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kel n GLY 46 N 3.27 0.09 3.21 0.46 0.00 -1.26 -5.02 105.19 105.94 1kel n GLY 46 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1kel n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kel s GLN 47 N -4.46 0.98 0.67 1.61 -0.21 -0.55 -5.15 119.66 112.54 1kel s GLN 47 Ca 0.00 -1.44 -0.13 0.00 0.02 0.00 0.00 55.36 53.81 1kel s GLN 47 Cb 0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.77 1kel s GLN 47 CO 0.00 -0.07 1.07 -1.12 -2.12 0.00 0.00 175.29 173.05 1kel s SER 48 N -3.11 5.35 0.60 5.90 0.01 -1.26 -4.58 113.70 116.61 1kel s SER 48 Ca 0.18 1.77 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 1kel s SER 48 Cb 0.06 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1kel s SER 48 CO -0.00 -1.46 1.08 -2.84 0.41 0.00 0.00 173.24 170.43 1kel s PRO 49 N -4.56 3.21 0.00 12.44 0.02 -1.26 -4.53 135.00 140.33 1kel s PRO 49 Ca 0.62 1.33 0.01 0.00 0.02 0.00 0.00 61.00 62.98 1kel s PRO 49 Cb -0.16 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 1kel s PRO 49 CO 0.47 -0.91 -0.05 -1.59 -0.33 0.00 0.00 177.00 174.59 1kel s LYS 50 N -3.89 0.38 0.42 5.54 -2.85 -0.00 -4.96 119.74 114.39 1kel s LYS 50 Ca 0.66 -0.25 -0.25 0.00 -1.00 0.00 0.00 55.97 55.13 1kel s LYS 50 Cb -0.19 -0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 35.17 1kel s LYS 50 CO 0.35 0.09 1.28 -1.17 0.10 0.00 0.00 175.35 175.99 1kel s LEU 51 N -0.33 4.17 0.04 2.77 2.96 -1.26 -1.26 118.68 125.77 1kel s LEU 51 Ca -0.00 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1kel s LEU 51 Cb -0.03 -3.98 0.00 0.00 0.50 0.00 0.00 46.19 42.68 1kel s LEU 51 CO -0.00 -0.89 0.00 0.18 -1.32 0.00 0.00 176.35 174.32 1kel n LEU 52 N -0.02 0.28 -3.90 -0.68 4.77 0.15 -4.85 117.00 112.74 1kel n LEU 52 Ca 0.05 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 1kel n LEU 52 Cb 0.44 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1kel n LEU 52 CO 0.54 -0.28 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.29 1kel s ILE 53 N -2.00 0.47 0.20 -0.08 -1.09 -1.07 -0.64 121.20 116.99 1kel s ILE 53 Ca 0.00 -0.13 0.10 0.00 -2.23 0.00 0.00 60.65 58.40 1kel s ILE 53 Cb 0.00 -0.48 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 1kel s ILE 53 CO 0.00 0.19 -0.14 -0.72 -1.23 0.00 0.00 174.94 173.04 1kel s TYR 54 N 0.67 2.50 -1.22 3.97 1.13 0.59 -0.79 117.35 124.19 1kel s TYR 54 Ca -0.08 -0.28 -0.29 0.00 -1.41 0.00 0.00 57.07 55.01 1kel s TYR 54 Cb -0.12 -1.20 0.03 0.00 -1.10 0.00 0.00 41.96 39.57 1kel s TYR 54 CO -0.00 0.54 0.67 1.63 -2.51 0.00 0.00 175.55 175.88 1kel n LYS 55 N -0.05 -0.55 0.00 -3.49 5.02 -1.13 -1.52 118.16 116.44 1kel n LYS 55 Ca -0.10 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1kel n LYS 55 Cb 0.56 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1kel n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1kel n VAL 56 N -4.84 0.00 -1.55 -0.18 0.31 0.04 -3.68 118.33 108.42 1kel n VAL 56 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.24 1kel n VAL 56 Cb 0.58 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.55 1kel n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kel n SER 57 N 0.89 0.75 -4.42 4.52 3.41 -1.23 -3.37 113.62 114.17 1kel n SER 57 Ca 0.00 -2.22 -0.44 0.00 -0.26 0.00 0.00 58.87 55.95 1kel n SER 57 Cb 0.00 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1kel n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1kel s ASN 58 N -1.44 6.19 -0.04 4.04 0.01 -0.57 -4.76 114.94 118.37 1kel s ASN 58 Ca 0.09 -1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 50.85 1kel s ASN 58 Cb 0.08 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1kel s ASN 58 CO 0.01 -0.77 1.31 -0.60 -1.51 0.00 0.00 177.10 175.53 1kel s ARG 59 N 2.17 4.31 0.43 -0.60 3.52 -1.26 -0.30 118.95 127.22 1kel s ARG 59 Ca 0.10 1.82 -0.26 0.00 -0.13 0.00 0.00 55.73 57.26 1kel s ARG 59 Cb -0.21 -3.59 -0.08 0.00 -1.56 0.00 0.00 34.95 29.51 1kel s ARG 59 CO 0.10 -0.53 1.38 0.12 -0.81 0.00 0.00 175.30 175.55 1kel s PHE 60 N 2.41 2.60 0.06 5.12 5.36 0.18 -4.91 117.98 128.80 1kel s PHE 60 Ca 0.60 1.32 -0.33 0.00 -0.96 0.00 0.00 56.93 57.55 1kel s PHE 60 Cb -0.28 -3.82 -0.12 0.00 -0.34 0.00 0.00 43.02 38.46 1kel s PHE 60 CO 0.24 -2.61 1.75 0.45 -1.46 0.00 0.00 175.22 173.59 1kel n SER 61 N -0.07 3.45 0.00 6.13 2.88 -1.26 -2.11 113.62 122.65 1kel n SER 61 Ca 0.04 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1kel n SER 61 Cb 0.42 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1kel n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kel n GLY 62 N 3.98 2.22 3.71 0.46 0.00 -1.26 -5.06 105.19 109.23 1kel n GLY 62 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1kel n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kel s VAL 63 N -2.43 4.74 0.59 1.61 1.01 -0.89 -5.00 120.40 120.02 1kel s VAL 63 Ca 0.00 1.97 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 1kel s VAL 63 Cb 0.00 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1kel s VAL 63 CO 0.00 0.13 1.07 -2.65 0.00 0.00 0.00 175.10 173.65 1kel n PRO 64 N 4.07 1.06 0.01 2.72 -0.02 -1.26 -4.84 135.00 136.73 1kel n PRO 64 Ca 0.07 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1kel n PRO 64 Cb 0.50 -2.27 0.19 0.00 -0.02 0.00 0.00 33.50 31.91 1kel n PRO 64 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1kel n ASP 65 N -0.89 0.02 0.17 2.55 5.68 -1.26 -2.09 116.55 120.73 1kel n ASP 65 Ca 0.13 0.51 0.13 0.00 -0.50 0.00 0.00 54.79 55.06 1kel n ASP 65 Cb 0.47 -0.51 0.68 0.00 -1.14 0.00 0.00 41.12 40.61 1kel n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1kel h ARG 66 N 0.00 0.00 -6.25 0.11 3.08 -1.88 -3.41 114.38 106.03 1kel h ARG 66 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1kel h ARG 66 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1kel h ARG 66 CO 0.00 0.00 0.01 -0.06 -1.07 0.00 0.00 179.97 178.85 1kel s PHE 67 N -5.01 3.80 -0.21 3.04 0.40 -0.89 -1.69 117.98 117.42 1kel s PHE 67 Ca -0.05 1.32 -0.18 0.00 -0.60 0.00 0.00 56.93 57.42 1kel s PHE 67 Cb 0.18 -2.57 0.06 0.00 0.51 0.00 0.00 43.02 41.19 1kel s PHE 67 CO 0.68 0.52 0.54 -1.54 0.70 0.00 0.00 175.22 176.13 1kel s SER 68 N -0.91 -0.59 0.01 1.36 1.04 -0.02 -4.97 113.70 109.62 1kel s SER 68 Ca 0.31 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.87 1kel s SER 68 Cb -0.20 1.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 1kel s SER 68 CO 0.20 -0.19 -0.03 -0.83 0.98 0.00 0.00 173.24 173.37 1kel s GLY 69 N 0.50 1.83 0.13 7.32 0.00 -1.26 -0.57 107.32 115.26 1kel s GLY 69 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 1kel s GLY 69 CO -0.02 -0.88 0.17 -1.14 0.00 0.00 0.00 173.10 171.23 1kel n SER 70 N 1.37 -0.48 0.00 1.64 3.41 0.01 -4.17 113.62 115.40 1kel n SER 70 Ca -0.15 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1kel n SER 70 Cb 0.53 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1kel n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kel n GLY 71 N -0.22 2.80 3.62 5.00 0.00 -1.26 -1.33 105.19 113.80 1kel n GLY 71 Ca 0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 1kel n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kel s SER 72 N 0.00 -0.79 0.00 1.61 0.01 0.21 -4.93 113.70 109.81 1kel s SER 72 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1kel s SER 72 Cb 0.00 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1kel s SER 72 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1kel n GLY 73 N 4.29 0.31 0.00 3.44 0.00 -1.26 -2.50 105.19 109.48 1kel n GLY 73 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1kel n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kel n THR 74 N 0.00 0.00 -4.61 2.61 -2.24 -1.26 -2.35 114.28 106.43 1kel n THR 74 Ca 0.00 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1kel n THR 74 Cb 0.00 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 1kel n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1kel s ASP 75 N -1.50 2.79 0.09 3.42 1.11 -1.04 0.06 116.67 121.60 1kel s ASP 75 Ca 0.00 -0.52 0.07 0.00 0.18 0.00 0.00 52.55 52.28 1kel s ASP 75 Cb 0.00 -1.27 -0.03 0.00 1.07 0.00 0.00 42.92 42.68 1kel s ASP 75 CO 0.00 0.06 -0.17 -0.36 1.18 0.00 0.00 175.17 175.87 1kel s PHE 76 N 0.86 1.48 -0.01 4.23 0.40 0.23 0.65 117.98 125.81 1kel s PHE 76 Ca -0.08 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1kel s PHE 76 Cb -0.15 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.57 1kel s PHE 76 CO -0.01 0.13 0.02 0.99 0.70 0.00 0.00 175.22 177.05 1kel s THR 77 N -1.26 -0.03 -0.21 0.64 2.01 -0.44 -0.78 115.64 115.56 1kel s THR 77 Ca 0.02 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1kel s THR 77 Cb -0.10 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 1kel s THR 77 CO 0.03 0.04 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.78 1kel s LEU 78 N 0.52 3.17 -0.05 4.42 2.96 0.00 -0.81 118.68 128.89 1kel s LEU 78 Ca -0.04 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1kel s LEU 78 Cb -0.06 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1kel s LEU 78 CO -0.01 0.02 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.33 1kel s LYS 79 N 1.26 2.53 -0.25 1.98 1.02 0.26 -0.17 119.74 126.37 1kel s LYS 79 Ca 0.04 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 1kel s LYS 79 Cb -0.15 -2.34 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 1kel s LYS 79 CO 0.01 0.56 -0.00 0.42 -0.92 0.00 0.00 175.35 175.41 1kel s ILE 80 N -0.57 1.28 0.33 2.17 1.01 -0.22 -0.84 121.20 124.35 1kel s ILE 80 Ca 0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1kel s ILE 80 Cb -0.11 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.60 1kel s ILE 80 CO 0.01 -0.25 0.68 -0.94 0.00 0.00 0.00 174.94 174.45 1kel s SER 81 N 1.49 6.60 -1.19 3.58 1.04 -0.68 -0.32 113.70 124.22 1kel s SER 81 Ca -0.01 1.07 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 1kel s SER 81 Cb -0.18 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1kel s SER 81 CO -0.10 -0.25 0.71 0.54 0.98 0.00 0.00 173.24 175.13 1kel n ARG 82 N -0.75 -1.13 -1.64 4.02 1.74 -1.18 -4.83 116.66 112.89 1kel n ARG 82 Ca 0.02 0.33 -0.47 0.00 -0.77 0.00 0.00 57.85 56.96 1kel n ARG 82 Cb 0.53 -3.69 -0.04 0.00 -1.02 0.00 0.00 32.46 28.25 1kel n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kel n VAL 83 N -4.47 0.64 -4.46 1.55 0.31 0.41 -4.49 118.33 107.83 1kel n VAL 83 Ca -0.12 -0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 63.83 1kel n VAL 83 Cb 0.59 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 32.15 1kel n VAL 83 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1kel s GLU 84 N -0.04 1.63 0.32 5.55 -1.05 -1.26 -0.02 118.70 123.83 1kel s GLU 84 Ca 0.73 -1.87 0.10 0.00 -0.15 0.00 0.00 54.97 53.78 1kel s GLU 84 Cb -0.73 -1.10 0.93 0.00 -0.44 0.00 0.00 34.13 32.79 1kel s GLU 84 CO 0.48 -0.06 1.67 0.00 0.95 0.00 0.00 175.26 178.30 1kel h ALA 85 N 2.16 1.72 -0.00 -0.84 0.00 -2.00 0.29 119.26 120.59 1kel h ALA 85 Ca -0.41 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kel h ALA 85 Cb 1.24 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1kel h ALA 85 CO 0.70 -0.47 0.01 0.93 0.00 0.00 0.00 179.25 180.41 1kel h GLU 86 N 0.35 0.00 0.00 0.00 4.39 -2.01 -1.89 114.58 115.42 1kel h GLU 86 Ca 0.66 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1kel h GLU 86 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1kel h GLU 86 CO -0.59 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.01 1kel n ASP 87 N -3.79 0.13 -4.72 1.42 8.00 0.09 -4.86 116.55 112.81 1kel n ASP 87 Ca -0.03 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 1kel n ASP 87 Cb 0.09 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1kel n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kel s LEU 88 N -3.24 4.39 0.00 0.64 1.43 -0.71 -4.86 118.68 116.32 1kel s LEU 88 Ca 0.12 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1kel s LEU 88 Cb 0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1kel s LEU 88 CO 0.49 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1kel n GLY 89 N 3.06 -0.68 3.44 -3.19 0.00 -1.24 -4.76 105.19 101.82 1kel n GLY 89 Ca 0.09 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1kel n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kel s VAL 90 N -2.99 3.93 -0.10 1.61 1.01 -0.10 -0.68 120.40 123.07 1kel s VAL 90 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1kel s VAL 90 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1kel s VAL 90 CO 0.00 0.43 0.19 -0.31 0.00 0.00 0.00 175.10 175.41 1kel s TYR 91 N 1.01 3.61 -0.02 5.22 1.51 0.03 -0.55 117.35 128.17 1kel s TYR 91 Ca 0.02 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.71 1kel s TYR 91 Cb -0.14 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 1kel s TYR 91 CO 0.02 0.69 -0.09 0.71 -1.11 0.00 0.00 175.55 175.77 1kel s TYR 92 N -0.94 0.88 0.26 2.71 2.02 -0.23 -0.45 117.35 121.60 1kel s TYR 92 Ca 0.16 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1kel s TYR 92 Cb -0.13 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 1kel s TYR 92 CO 0.05 -0.06 0.50 0.00 -1.57 0.00 0.00 175.55 174.47 1kel s PHE 94 N -2.03 -0.26 -0.14 0.00 5.36 0.53 -0.68 117.98 120.76 1kel s PHE 94 Ca 0.42 0.49 -0.09 0.00 -0.96 0.00 0.00 56.93 56.79 1kel s PHE 94 Cb -0.11 0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.74 1kel s PHE 94 CO 0.30 -0.35 0.35 1.14 -1.46 0.00 0.00 175.22 175.20 1kel s GLN 95 N -0.91 0.35 -0.16 10.12 1.03 -1.09 -0.27 119.66 128.73 1kel s GLN 95 Ca -0.10 0.60 0.14 0.00 0.04 0.00 0.00 55.36 56.05 1kel s GLN 95 Cb -0.04 0.04 0.36 0.00 0.03 0.00 0.00 33.01 33.40 1kel s GLN 95 CO 0.03 -0.12 1.18 0.41 -2.54 0.00 0.00 175.29 174.26 1kel n GLY 96 N 3.71 4.47 0.02 2.60 0.00 -1.26 -1.82 105.19 112.91 1kel n GLY 96 Ca -0.20 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.76 1kel n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kel n SER 97 N -1.02 0.10 -4.18 1.61 3.41 -1.26 -4.92 113.62 107.35 1kel n SER 97 Ca 0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 1kel n SER 97 Cb 0.72 1.86 -0.13 0.00 -0.26 0.00 0.00 64.21 66.40 1kel n SER 97 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1kel s HIS 98 N -3.37 1.39 -0.01 7.33 3.76 -1.26 -5.06 115.29 118.07 1kel s HIS 98 Ca -0.08 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.16 1kel s HIS 98 Cb 0.13 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 1kel s HIS 98 CO 0.88 0.07 0.94 0.08 -0.85 0.00 0.00 174.74 175.86 1kel s VAL 99 N -0.95 4.89 -0.07 -0.90 1.01 -1.26 -1.70 120.40 121.42 1kel s VAL 99 Ca 0.02 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 1kel s VAL 99 Cb -0.09 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1kel s VAL 99 CO 0.02 0.17 1.05 -2.84 0.00 0.00 0.00 175.10 173.50 1kel s PRO 100 N 0.97 4.43 0.19 2.72 0.02 -1.26 -1.82 135.00 140.26 1kel s PRO 100 Ca 0.50 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.69 1kel s PRO 100 Cb -0.21 -3.52 -0.09 0.00 0.02 0.00 0.00 34.50 30.71 1kel s PRO 100 CO 0.27 -0.30 1.28 1.03 -0.33 0.00 0.00 177.00 178.96 1kel s ARG 101 N 1.84 4.41 -0.14 5.54 0.52 -0.69 -4.96 118.95 125.47 1kel s ARG 101 Ca 0.51 2.01 -0.34 0.00 -0.52 0.00 0.00 55.73 57.39 1kel s ARG 101 Cb -0.21 -3.21 0.13 0.00 0.52 0.00 0.00 34.95 32.19 1kel s ARG 101 CO 0.21 -0.22 1.26 -0.08 0.02 0.00 0.00 175.30 176.49 1kel s THR 102 N 0.10 0.00 0.38 0.02 -1.32 -0.75 -4.99 115.64 109.07 1kel s THR 102 Ca 0.56 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.94 1kel s THR 102 Cb -0.36 -1.36 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 1kel s THR 102 CO 0.38 0.00 0.63 -0.36 -2.21 0.00 0.00 174.62 173.06 1kel s PHE 103 N -2.38 3.52 1.03 9.09 0.08 -1.26 -2.66 117.98 125.39 1kel s PHE 103 Ca 0.11 0.56 -0.17 0.00 0.12 0.00 0.00 56.93 57.55 1kel s PHE 103 Cb 0.01 -2.07 0.24 0.00 -0.57 0.00 0.00 43.02 40.63 1kel s PHE 103 CO -0.04 -0.00 1.33 0.20 -0.10 0.00 0.00 175.22 176.60 1kel s GLY 104 N -3.89 1.80 0.14 4.36 0.00 0.14 -4.92 107.32 104.94 1kel s GLY 104 Ca 0.43 -1.30 0.16 0.00 0.00 0.00 0.00 44.72 44.02 1kel s GLY 104 CO 0.38 -0.45 1.50 0.61 0.00 0.00 0.00 173.10 175.14 1kel n GLY 105 N -3.50 -0.99 0.00 0.20 0.00 -1.26 -4.83 105.19 94.81 1kel n GLY 105 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1kel n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kel n GLY 106 N -0.44 -0.32 2.76 -0.02 0.00 -1.26 -5.01 105.19 100.90 1kel n GLY 106 Ca 0.02 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1kel n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kel s THR 107 N -3.02 0.74 -0.44 2.61 2.01 0.41 -4.21 115.64 113.75 1kel s THR 107 Ca 0.00 -0.88 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1kel s THR 107 Cb 0.00 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1kel s THR 107 CO 0.00 -0.33 0.96 -0.75 -0.69 0.00 0.00 174.62 173.81 1kel s LYS 108 N 1.74 3.65 -0.14 4.92 2.20 -0.02 -0.79 119.74 131.30 1kel s LYS 108 Ca 0.01 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 1kel s LYS 108 Cb -0.17 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1kel s LYS 108 CO -0.13 -1.17 1.31 -1.17 -0.36 0.00 0.00 175.35 173.83 1kel s LEU 109 N 3.79 4.21 0.30 5.43 2.96 0.15 -1.55 118.68 133.96 1kel s LEU 109 Ca 0.39 1.77 0.04 0.00 -0.22 0.00 0.00 54.13 56.12 1kel s LEU 109 Cb -0.10 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 1kel s LEU 109 CO 0.25 -0.77 0.03 -1.61 -1.32 0.00 0.00 176.35 172.93 1kel s GLU 110 N 3.48 1.58 -0.10 1.98 2.02 -0.44 -3.72 118.70 123.51 1kel s GLU 110 Ca 0.57 -1.86 -0.17 0.00 0.02 0.00 0.00 54.97 53.54 1kel s GLU 110 Cb -0.23 -0.85 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 1kel s GLU 110 CO 0.17 -0.14 0.45 0.42 0.02 0.00 0.00 175.26 176.17 1kel s ILE 111 N -3.29 5.16 0.12 -1.63 -1.09 -1.26 -0.71 121.20 118.50 1kel s ILE 111 Ca 0.34 0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 59.36 1kel s ILE 111 Cb 0.08 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 1kel s ILE 111 CO 0.14 0.38 1.06 -0.75 -1.23 0.00 0.00 174.94 174.54 1kel s LYS 112 N 0.29 4.60 0.30 2.79 2.20 0.79 -4.76 119.74 125.95 1kel s LYS 112 Ca 0.24 1.61 -0.10 0.00 -0.36 0.00 0.00 55.97 57.36 1kel s LYS 112 Cb -0.15 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1kel s LYS 112 CO 0.10 0.05 0.53 -0.98 -0.36 0.00 0.00 175.35 174.69 1kel s ARG 113 N 0.15 1.78 0.45 4.03 1.70 -1.26 -4.89 118.95 120.90 1kel s ARG 113 Ca 0.50 -1.43 -0.24 0.00 -0.47 0.00 0.00 55.73 54.09 1kel s ARG 113 Cb -0.26 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1kel s ARG 113 CO 0.32 -0.76 1.23 0.00 -1.08 0.00 0.00 175.30 175.00 1kel s ALA 114 N -3.45 3.06 0.35 7.88 0.00 -1.26 -4.95 121.76 123.39 1kel s ALA 114 Ca 0.24 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 1kel s ALA 114 Cb -0.01 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1kel s ALA 114 CO 0.13 -0.77 1.48 -0.25 0.00 0.00 0.00 175.76 176.34 1kel n ASP 115 N -0.30 3.62 -3.72 0.00 8.00 -1.26 -4.76 116.55 118.12 1kel n ASP 115 Ca 0.06 1.21 -0.16 0.00 0.71 0.00 0.00 54.79 56.61 1kel n ASP 115 Cb 0.46 -1.59 -0.16 0.00 -0.02 0.00 0.00 41.12 39.82 1kel n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kel s ALA 116 N -0.87 -0.11 0.57 2.24 0.00 0.75 -4.91 121.76 119.44 1kel s ALA 116 Ca 0.56 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 1kel s ALA 116 Cb -0.50 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1kel s ALA 116 CO 0.60 -0.31 1.08 0.00 0.00 0.00 0.00 175.76 177.13 1kel s ALA 117 N 1.61 2.71 0.55 0.00 0.00 -1.26 -0.34 121.76 125.02 1kel s ALA 117 Ca -0.04 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1kel s ALA 117 Cb -0.12 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1kel s ALA 117 CO -0.05 -0.78 1.00 -1.25 0.00 0.00 0.00 175.76 174.68 1kel s PRO 118 N -3.73 3.79 -0.37 0.00 0.04 -1.26 -4.48 135.00 128.99 1kel s PRO 118 Ca 0.67 0.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 1kel s PRO 118 Cb -0.19 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1kel s PRO 118 CO 0.32 -0.41 0.24 0.99 0.04 0.00 0.00 177.00 178.18 1kel s THR 119 N -2.74 5.00 -0.15 1.26 2.01 -0.22 -4.87 115.64 115.94 1kel s THR 119 Ca 0.58 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 1kel s THR 119 Cb -0.11 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1kel s THR 119 CO 0.37 -0.15 0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 1kel s VAL 120 N 1.65 5.11 -0.03 3.82 1.01 -1.26 -0.21 120.40 130.49 1kel s VAL 120 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1kel s VAL 120 Cb -0.18 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1kel s VAL 120 CO 0.09 0.54 0.05 -0.44 0.00 0.00 0.00 175.10 175.33 1kel s SER 121 N -0.37 0.06 0.09 3.32 0.01 0.23 -4.97 113.70 112.06 1kel s SER 121 Ca 0.10 0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.48 1kel s SER 121 Cb -0.12 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1kel s SER 121 CO 0.02 -0.13 -0.00 -0.51 0.41 0.00 0.00 173.24 173.02 1kel s ILE 122 N 1.10 4.01 -0.04 1.44 2.07 -1.26 -0.44 121.20 128.09 1kel s ILE 122 Ca -0.09 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 1kel s ILE 122 Cb -0.13 -2.90 0.03 0.00 0.13 0.00 0.00 42.46 39.58 1kel s ILE 122 CO -0.03 0.13 -0.01 -0.36 -1.91 0.00 0.00 174.94 172.76 1kel s PHE 123 N -1.30 0.41 0.91 3.50 0.40 0.26 -4.97 117.98 117.19 1kel s PHE 123 Ca 0.25 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.42 1kel s PHE 123 Cb -0.12 -0.49 0.14 0.00 0.51 0.00 0.00 43.02 43.06 1kel s PHE 123 CO 0.18 -0.16 1.12 -1.25 0.70 0.00 0.00 175.22 175.81 1kel s PRO 124 N 1.11 1.18 0.41 0.24 0.04 -1.26 -1.87 135.00 134.85 1kel s PRO 124 Ca -0.08 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.09 1kel s PRO 124 Cb -0.14 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1kel s PRO 124 CO -0.02 -2.19 1.30 -2.14 0.04 0.00 0.00 177.00 173.99 1kel s PRO 125 N -5.20 3.94 0.58 0.56 0.02 -1.21 -4.83 135.00 128.86 1kel s PRO 125 Ca 0.64 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 1kel s PRO 125 Cb -0.15 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.59 1kel s PRO 125 CO 0.54 -0.52 0.99 -1.54 -0.33 0.00 0.00 177.00 176.15 1kel s SER 126 N -0.77 6.33 0.37 2.53 1.04 -1.26 -4.92 113.70 117.02 1kel s SER 126 Ca 0.58 1.41 0.10 0.00 0.48 0.00 0.00 55.95 58.51 1kel s SER 126 Cb -0.38 -2.46 0.73 0.00 0.10 0.00 0.00 66.02 64.02 1kel s SER 126 CO 0.48 -0.77 1.86 0.77 0.98 0.00 0.00 173.24 176.56 1kel h SER 127 N 0.04 0.14 -0.31 7.02 4.64 -1.99 -1.70 113.55 121.40 1kel h SER 127 Ca -0.45 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1kel h SER 127 Cb 1.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1kel h SER 127 CO 0.62 0.40 0.19 1.05 -0.87 0.00 0.00 176.83 178.22 1kel h GLU 128 N 0.14 0.41 -0.39 4.77 9.09 -1.99 -0.51 114.58 126.11 1kel h GLU 128 Ca 0.02 -0.03 -0.09 0.00 0.05 0.00 0.00 59.36 59.31 1kel h GLU 128 Cb 0.52 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 1kel h GLU 128 CO 0.04 0.31 -0.10 0.37 0.05 0.00 0.00 179.01 179.67 1kel h GLN 129 N 0.40 0.75 -0.48 1.06 4.15 -1.79 -2.76 115.11 116.45 1kel h GLN 129 Ca 0.11 -0.29 0.05 0.00 0.77 0.00 0.00 58.65 59.29 1kel h GLN 129 Cb -0.01 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 1kel h GLN 129 CO -0.02 0.90 0.20 -0.07 -1.93 0.00 0.00 178.83 177.91 1kel h LEU 130 N 0.56 0.25 -1.81 -2.39 3.38 -1.09 0.13 115.31 114.34 1kel h LEU 130 Ca 0.10 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1kel h LEU 130 Cb 0.63 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1kel h LEU 130 CO 0.04 0.18 0.30 0.74 0.09 0.00 0.00 178.44 179.78 1kel h THR 131 N 0.40 0.90 -0.06 0.22 2.02 -0.96 0.31 112.91 115.72 1kel h THR 131 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1kel h THR 131 Cb 0.19 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1kel h THR 131 CO -0.20 0.04 0.00 -1.54 0.37 0.00 0.00 175.52 174.20 1kel n SER 132 N -4.46 0.58 0.00 4.18 3.41 0.42 -4.90 113.62 112.85 1kel n SER 132 Ca 0.06 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1kel n SER 132 Cb 0.34 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1kel n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kel n GLY 133 N 0.88 0.70 3.40 5.00 0.00 0.11 -5.06 105.19 110.23 1kel n GLY 133 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1kel n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kel s GLY 134 N -1.99 1.72 -0.24 -0.02 0.00 -1.05 -1.88 107.32 103.86 1kel s GLY 134 Ca 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.85 1kel s GLY 134 CO 0.00 -1.81 0.24 0.00 0.00 0.00 0.00 173.10 171.52 1kel s ALA 135 N -3.02 -0.24 -0.12 3.20 0.00 0.12 -3.08 121.76 118.62 1kel s ALA 135 Ca 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 1kel s ALA 135 Cb 0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1kel s ALA 135 CO 0.11 -1.43 -0.02 -1.12 0.00 0.00 0.00 175.76 173.29 1kel s SER 136 N 2.31 4.98 -0.16 0.00 0.01 -1.26 0.16 113.70 119.74 1kel s SER 136 Ca 0.08 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 1kel s SER 136 Cb -0.15 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1kel s SER 136 CO -0.22 0.27 -0.07 -0.69 0.41 0.00 0.00 173.24 172.93 1kel s VAL 137 N -0.21 3.46 -0.01 3.43 1.01 0.54 -3.28 120.40 125.33 1kel s VAL 137 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1kel s VAL 137 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1kel s VAL 137 CO 0.02 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1kel s VAL 138 N 0.63 3.23 -0.07 2.92 1.01 -0.78 -0.88 120.40 126.46 1kel s VAL 138 Ca -0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1kel s VAL 138 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1kel s VAL 138 CO 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 1kel s PHE 140 N 1.84 3.40 -0.40 0.00 0.08 0.42 -0.92 117.98 122.40 1kel s PHE 140 Ca 0.03 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.43 1kel s PHE 140 Cb -0.12 -1.83 0.14 0.00 -0.57 0.00 0.00 43.02 40.63 1kel s PHE 140 CO -0.05 0.61 0.22 -0.51 -0.10 0.00 0.00 175.22 175.40 1kel s LEU 141 N -1.30 1.90 0.05 -0.37 1.02 0.06 -0.60 118.68 119.44 1kel s LEU 141 Ca 0.18 -2.41 -0.05 0.00 0.02 0.00 0.00 54.13 51.88 1kel s LEU 141 Cb -0.12 -0.74 -0.05 0.00 0.02 0.00 0.00 46.19 45.30 1kel s LEU 141 CO 0.08 -0.29 0.28 0.20 0.02 0.00 0.00 176.35 176.65 1kel s ASN 142 N 0.70 6.47 -1.18 2.29 0.02 0.70 0.22 114.94 124.16 1kel s ASN 142 Ca 0.18 0.51 -0.18 0.00 -1.02 0.00 0.00 52.86 52.35 1kel s ASN 142 Cb -0.24 -2.06 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 1kel s ASN 142 CO 0.00 0.18 0.74 0.59 0.02 0.00 0.00 177.10 178.63 1kel n ASN 143 N 0.68 -4.42 -4.70 -1.22 4.13 -0.53 -1.05 115.26 108.15 1kel n ASN 143 Ca -0.08 -1.02 -0.23 0.00 1.68 0.00 0.00 54.58 54.94 1kel n ASN 143 Cb 0.52 -3.31 -0.07 0.00 -1.54 0.00 0.00 39.78 35.38 1kel n ASN 143 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1kel s PHE 144 N -3.54 2.74 -0.23 3.10 -0.12 0.47 -4.63 117.98 115.77 1kel s PHE 144 Ca 0.39 -0.28 -0.16 0.00 -0.05 0.00 0.00 56.93 56.84 1kel s PHE 144 Cb -0.14 -1.40 0.07 0.00 -0.63 0.00 0.00 43.02 40.91 1kel s PHE 144 CO 0.87 0.49 0.58 -0.47 -0.05 0.00 0.00 175.22 176.64 1kel s TYR 145 N -2.35 -0.81 1.13 3.49 6.14 0.53 -0.80 117.35 124.68 1kel s TYR 145 Ca 0.34 1.74 -0.18 0.00 0.64 0.00 0.00 57.07 59.61 1kel s TYR 145 Cb -0.05 0.41 0.26 0.00 0.42 0.00 0.00 41.96 43.00 1kel s TYR 145 CO 0.22 -0.41 1.18 -1.25 0.64 0.00 0.00 175.55 175.92 1kel s PRO 146 N 1.17 -0.68 0.52 4.97 0.04 -1.26 -0.18 135.00 139.58 1kel s PRO 146 Ca -0.07 -0.20 0.26 0.00 0.04 0.00 0.00 61.00 61.02 1kel s PRO 146 Cb -0.06 -1.67 1.44 0.00 0.04 0.00 0.00 34.50 34.25 1kel s PRO 146 CO -0.12 -3.33 2.09 1.57 0.04 0.00 0.00 177.00 177.26 1kel h LYS 147 N -2.30 0.00 -6.56 4.56 2.10 -1.97 -3.44 116.57 108.95 1kel h LYS 147 Ca -0.44 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.68 1kel h LYS 147 Cb 1.27 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.62 1kel h LYS 147 CO 0.34 0.11 0.66 -0.51 -2.00 0.00 0.00 179.45 178.05 1kel s ASP 148 N -6.29 6.92 -0.00 7.07 1.01 -1.26 -5.01 116.67 119.11 1kel s ASP 148 Ca -0.03 2.26 -0.25 0.00 0.71 0.00 0.00 52.55 55.24 1kel s ASP 148 Cb 0.14 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.53 1kel s ASP 148 CO 0.60 -0.57 0.55 -0.51 0.21 0.00 0.00 175.17 175.45 1kel s ILE 149 N 0.82 0.02 -0.05 0.77 2.07 -1.26 -4.58 121.20 118.98 1kel s ILE 149 Ca 0.61 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.71 1kel s ILE 149 Cb -0.35 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.32 1kel s ILE 149 CO 0.32 -0.10 -0.16 0.20 -1.91 0.00 0.00 174.94 173.30 1kel s ASN 150 N -1.55 2.05 -0.05 4.50 0.01 -0.71 -4.99 114.94 114.19 1kel s ASN 150 Ca -0.09 -0.34 0.06 0.00 -0.71 0.00 0.00 52.86 51.78 1kel s ASN 150 Cb -0.01 -0.73 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1kel s ASN 150 CO 0.04 0.11 -0.25 0.54 -1.51 0.00 0.00 177.10 176.03 1kel s VAL 151 N 0.29 2.11 -0.03 1.60 0.11 -1.26 -0.62 120.40 122.60 1kel s VAL 151 Ca -0.09 -1.06 0.06 0.00 -2.93 0.00 0.00 61.98 57.96 1kel s VAL 151 Cb -0.13 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 32.95 1kel s VAL 151 CO 0.03 0.57 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.64 1kel s LYS 152 N -0.28 1.79 -0.10 1.54 1.02 0.79 -4.96 119.74 119.54 1kel s LYS 152 Ca -0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1kel s LYS 152 Cb -0.13 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1kel s LYS 152 CO 0.03 0.36 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.20 1kel s TRP 153 N -0.27 3.02 -0.02 3.18 0.52 -1.26 -0.21 118.94 123.90 1kel s TRP 153 Ca 0.03 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.15 1kel s TRP 153 Cb -0.10 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 1kel s TRP 153 CO 0.01 0.27 -0.07 0.15 0.02 0.00 0.00 176.95 177.33 1kel s LYS 154 N -0.53 0.71 -0.15 4.98 1.02 -0.58 0.35 119.74 125.55 1kel s LYS 154 Ca 0.08 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1kel s LYS 154 Cb -0.12 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 1kel s LYS 154 CO 0.02 0.08 -0.21 0.42 -0.92 0.00 0.00 175.35 174.74 1kel s ILE 155 N 0.20 2.04 -1.50 2.17 1.01 0.21 -0.94 121.20 124.39 1kel s ILE 155 Ca -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1kel s ILE 155 Cb -0.07 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1kel s ILE 155 CO 0.00 0.54 0.25 0.47 0.00 0.00 0.00 174.94 176.20 1kel n ASP 156 N 4.23 -5.30 0.00 3.58 8.00 0.71 -1.98 116.55 125.79 1kel n ASP 156 Ca -0.20 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1kel n ASP 156 Cb 0.51 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1kel n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kel n GLY 157 N -1.15 2.81 3.83 0.44 0.00 -1.26 -5.01 105.19 104.85 1kel n GLY 157 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1kel n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kel s SER 158 N -1.58 6.89 0.37 1.61 0.01 -0.84 -4.97 113.70 115.19 1kel s SER 158 Ca 0.00 1.11 -0.27 0.00 1.31 0.00 0.00 55.95 58.09 1kel s SER 158 Cb 0.00 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 63.84 1kel s SER 158 CO 0.00 0.20 1.28 -1.61 0.41 0.00 0.00 173.24 173.53 1kel s GLU 159 N -1.52 4.17 -0.12 12.44 2.02 -1.26 -0.62 118.70 133.82 1kel s GLU 159 Ca 0.32 2.13 0.02 0.00 0.02 0.00 0.00 54.97 57.47 1kel s GLU 159 Cb -0.17 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.17 1kel s GLU 159 CO 0.18 -0.31 -0.20 0.50 0.02 0.00 0.00 175.26 175.45 1kel s ARG 160 N -2.03 2.71 -0.16 1.61 6.06 0.16 -4.83 118.95 122.47 1kel s ARG 160 Ca 0.53 -0.75 -0.05 0.00 -2.50 0.00 0.00 55.73 52.96 1kel s ARG 160 Cb -0.38 -2.19 -0.08 0.00 0.06 0.00 0.00 34.95 32.36 1kel s ARG 160 CO 0.49 0.00 -0.18 1.04 -2.50 0.00 0.00 175.30 174.15 1kel n GLN 161 N 4.01 0.35 -1.98 5.12 3.00 -1.26 -4.28 117.38 122.35 1kel n GLN 161 Ca -0.20 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 1kel n GLN 161 Cb 0.52 -1.15 -0.03 0.00 0.00 0.00 0.00 30.24 29.58 1kel n GLN 161 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1kel s ASN 162 N -6.12 6.62 0.00 1.08 -0.87 -1.26 -3.31 114.94 111.08 1kel s ASN 162 Ca -0.22 2.63 0.00 0.00 -1.57 0.00 0.00 52.86 53.70 1kel s ASN 162 Cb 0.08 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 1kel s ASN 162 CO 0.31 -0.76 0.00 0.61 -2.57 0.00 0.00 177.10 174.68 1kel n GLY 163 N 3.01 0.75 3.70 0.66 0.00 -1.26 -4.84 105.19 107.20 1kel n GLY 163 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1kel n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kel s VAL 164 N -2.53 5.24 -0.04 1.61 1.01 -1.21 -1.16 120.40 123.32 1kel s VAL 164 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1kel s VAL 164 Cb 0.00 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1kel s VAL 164 CO 0.00 0.32 -0.20 -0.76 0.00 0.00 0.00 175.10 174.46 1kel s LEU 165 N 0.85 1.98 0.15 3.92 1.43 0.13 -4.97 118.68 122.17 1kel s LEU 165 Ca 0.19 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1kel s LEU 165 Cb -0.14 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1kel s LEU 165 CO 0.07 0.20 -0.22 0.20 0.23 0.00 0.00 176.35 176.82 1kel s ASN 166 N -0.10 2.92 0.02 2.29 0.01 -1.26 -0.53 114.94 118.29 1kel s ASN 166 Ca -0.02 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.34 1kel s ASN 166 Cb -0.12 -0.19 -0.01 0.00 0.41 0.00 0.00 41.25 41.34 1kel s ASN 166 CO 0.02 0.06 -0.03 -0.55 -1.51 0.00 0.00 177.10 175.10 1kel s SER 167 N -2.34 0.27 0.00 -1.22 0.15 0.09 -5.01 113.70 105.64 1kel s SER 167 Ca 0.14 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1kel s SER 167 Cb -0.08 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1kel s SER 167 CO 0.07 -0.19 -0.11 0.26 1.20 0.00 0.00 173.24 174.47 1kel s TRP 168 N -1.00 0.94 0.49 3.44 0.51 -1.26 -1.56 118.94 120.51 1kel s TRP 168 Ca -0.10 -0.22 -0.05 0.00 -2.12 0.00 0.00 56.10 53.62 1kel s TRP 168 Cb -0.07 -0.59 -0.02 0.00 -0.81 0.00 0.00 33.47 31.97 1kel s TRP 168 CO -0.01 -0.01 0.79 0.95 -0.51 0.00 0.00 176.95 178.16 1kel s THR 169 N -0.40 4.61 0.71 2.01 -4.23 -0.71 -5.03 115.64 112.60 1kel s THR 169 Ca 0.03 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 1kel s THR 169 Cb -0.05 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.05 1kel s THR 169 CO -0.00 -0.72 1.08 -1.81 -0.54 0.00 0.00 174.62 172.63 1kel s ASP 170 N -4.15 5.37 0.26 3.99 1.01 -1.26 -4.57 116.67 117.32 1kel s ASP 170 Ca 0.48 1.29 -0.31 0.00 0.71 0.00 0.00 52.55 54.72 1kel s ASP 170 Cb -0.10 -2.13 -0.13 0.00 1.01 0.00 0.00 42.92 41.57 1kel s ASP 170 CO 0.44 -1.41 1.51 1.67 0.21 0.00 0.00 175.17 177.59 1kel n GLN 171 N -3.07 2.36 -1.80 8.23 7.27 -1.26 -4.78 117.38 124.33 1kel n GLN 171 Ca 0.07 0.84 -0.42 0.00 0.07 0.00 0.00 57.00 57.56 1kel n GLN 171 Cb 0.56 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.61 1kel n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1kel s ASP 172 N 0.43 6.50 0.46 1.69 2.15 0.11 -4.87 116.67 123.15 1kel s ASP 172 Ca 0.67 2.63 0.13 0.00 0.43 0.00 0.00 52.55 56.41 1kel s ASP 172 Cb -0.58 -2.56 1.08 0.00 -0.30 0.00 0.00 42.92 40.56 1kel s ASP 172 CO 0.48 -0.96 2.06 0.77 -0.17 0.00 0.00 175.17 177.36 1kel h SER 173 N 8.65 0.26 0.00 -0.34 4.64 -1.90 0.19 113.55 125.04 1kel h SER 173 Ca -0.45 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1kel h SER 173 Cb 1.21 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1kel h SER 173 CO 0.94 0.18 -0.69 0.50 -0.87 0.00 0.00 176.83 176.89 1kel h LYS 174 N 0.30 0.00 -0.31 4.77 3.11 -1.98 -3.41 116.57 119.04 1kel h LYS 174 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1kel h LYS 174 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1kel h LYS 174 CO -0.03 0.54 0.00 -0.40 -2.81 0.00 0.00 179.45 176.75 1kel n ASP 175 N -4.56 2.87 -0.99 4.20 5.75 -1.22 -4.98 116.55 117.61 1kel n ASP 175 Ca -0.17 -1.88 -0.13 0.00 -0.01 0.00 0.00 54.79 52.60 1kel n ASP 175 Cb 0.43 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 1kel n ASP 175 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1kel n SER 176 N 0.76 -5.63 -4.06 -1.12 7.64 0.67 -4.93 113.62 106.95 1kel n SER 176 Ca 0.13 0.32 -0.19 0.00 1.01 0.00 0.00 58.87 60.14 1kel n SER 176 Cb 0.43 -4.27 0.10 0.00 -1.01 0.00 0.00 64.21 59.46 1kel n SER 176 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kel n THR 177 N -2.27 0.00 -4.25 0.44 -2.24 -1.26 -4.54 114.28 100.16 1kel n THR 177 Ca -0.13 -1.27 -0.17 0.00 -2.27 0.00 0.00 64.05 60.21 1kel n THR 177 Cb 0.60 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1kel n THR 177 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1kel s TYR 178 N -2.48 1.38 0.06 4.78 1.51 0.02 0.04 117.35 122.65 1kel s TYR 178 Ca 0.54 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1kel s TYR 178 Cb -0.03 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1kel s TYR 178 CO 0.36 0.14 -0.07 -1.12 -1.11 0.00 0.00 175.55 173.75 1kel s SER 179 N -2.65 0.87 0.03 2.29 0.01 -1.26 -0.40 113.70 112.60 1kel s SER 179 Ca 0.11 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1kel s SER 179 Cb -0.03 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1kel s SER 179 CO 0.03 -0.30 -0.04 -0.32 0.41 0.00 0.00 173.24 173.01 1kel s MET 180 N -2.33 0.42 -0.03 12.44 0.00 0.13 -1.74 119.30 128.18 1kel s MET 180 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 55.69 54.91 1kel s MET 180 Cb -0.05 0.03 0.03 0.00 0.00 0.00 0.00 34.83 34.84 1kel s MET 180 CO -0.02 -0.04 -0.01 0.45 0.00 0.00 0.00 175.02 175.40 1kel s SER 181 N -1.75 0.59 -0.04 1.11 0.15 -0.60 -0.76 113.70 112.39 1kel s SER 181 Ca -0.11 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.52 1kel s SER 181 Cb -0.07 -0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1kel s SER 181 CO -0.02 -0.08 -0.15 -0.55 1.20 0.00 0.00 173.24 173.63 1kel s SER 182 N 0.98 1.97 -0.06 5.45 0.15 -0.10 -0.73 113.70 121.36 1kel s SER 182 Ca -0.10 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.24 1kel s SER 182 Cb -0.14 -0.57 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1kel s SER 182 CO -0.01 0.13 -0.08 -0.89 1.20 0.00 0.00 173.24 173.59 1kel s THR 183 N 0.11 0.86 -0.33 6.45 2.01 0.31 -0.99 115.64 124.06 1kel s THR 183 Ca -0.04 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1kel s THR 183 Cb -0.11 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1kel s THR 183 CO 0.02 0.30 0.24 -0.22 -0.69 0.00 0.00 174.62 174.27 1kel s LEU 184 N 0.94 4.45 -0.27 4.42 2.96 -0.06 -0.69 118.68 130.44 1kel s LEU 184 Ca -0.10 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1kel s LEU 184 Cb -0.15 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1kel s LEU 184 CO 0.01 -0.21 0.10 -0.89 -1.32 0.00 0.00 176.35 174.03 1kel s THR 185 N 1.74 4.45 0.39 3.68 2.01 -0.31 -0.34 115.64 127.26 1kel s THR 185 Ca 0.06 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 61.92 1kel s THR 185 Cb -0.17 -3.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 1kel s THR 185 CO 0.11 0.26 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.54 1kel s LEU 186 N 1.62 2.77 0.66 4.42 1.43 0.12 -4.69 118.68 125.02 1kel s LEU 186 Ca 0.06 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.73 1kel s LEU 186 Cb -0.16 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.23 1kel s LEU 186 CO 0.05 -0.43 1.02 0.42 0.23 0.00 0.00 176.35 177.64 1kel s THR 187 N -2.77 3.52 0.19 5.49 -4.23 -1.26 0.12 115.64 116.71 1kel s THR 187 Ca 0.35 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.03 1kel s THR 187 Cb 0.09 -3.46 0.11 0.00 1.34 0.00 0.00 72.50 70.58 1kel s THR 187 CO 0.17 -0.55 1.74 0.50 -0.54 0.00 0.00 174.62 175.94 1kel h LYS 188 N -0.46 1.04 -0.25 3.99 3.64 -1.60 -1.82 116.57 121.11 1kel h LYS 188 Ca -0.45 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 58.77 1kel h LYS 188 Cb 1.26 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1kel h LYS 188 CO 0.63 0.88 -0.03 0.22 -2.27 0.00 0.00 179.45 178.88 1kel h ASP 189 N 0.99 -0.17 -0.38 4.20 3.58 -1.93 0.09 116.42 122.80 1kel h ASP 189 Ca 0.23 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.62 1kel h ASP 189 Cb 0.25 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1kel h ASP 189 CO -0.01 -0.05 -0.23 -0.08 -2.88 0.00 0.00 179.24 175.99 1kel h GLU 190 N 0.04 0.88 -0.87 0.28 4.81 -1.91 -3.07 114.58 114.74 1kel h GLU 190 Ca 0.12 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1kel h GLU 190 Cb 0.17 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1kel h GLU 190 CO -0.23 1.02 0.48 -0.92 -0.73 0.00 0.00 179.01 178.63 1kel h TYR 191 N 0.76 1.19 0.00 0.92 3.20 -0.78 -2.04 116.97 120.22 1kel h TYR 191 Ca 0.10 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1kel h TYR 191 Cb 0.77 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1kel h TYR 191 CO 0.05 0.82 0.00 0.39 -1.64 0.00 0.00 178.16 177.78 1kel n GLU 192 N -4.37 1.00 0.00 1.82 1.02 -0.03 -2.61 120.64 117.47 1kel n GLU 192 Ca 0.09 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.33 1kel n GLU 192 Cb 0.09 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1kel n GLU 192 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1kel n ARG 193 N -0.76 0.73 -4.24 3.49 0.63 -0.77 -4.99 116.66 110.76 1kel n ARG 193 Ca 0.12 -0.39 -0.13 0.00 -0.92 0.00 0.00 57.85 56.53 1kel n ARG 193 Cb 0.06 -1.45 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 1kel n ARG 193 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1kel s HIS 194 N -2.69 1.19 -0.00 -0.14 3.76 -1.07 -5.09 115.29 111.24 1kel s HIS 194 Ca 0.12 -1.00 -0.00 0.00 -0.15 0.00 0.00 55.06 54.03 1kel s HIS 194 Cb 0.16 -0.68 -0.00 0.00 1.11 0.00 0.00 32.58 33.17 1kel s HIS 194 CO 0.71 -0.19 -0.00 -1.71 -0.85 0.00 0.00 174.74 172.70 1kel n ASN 195 N -0.22 2.46 -4.68 1.40 5.15 -1.26 -4.78 115.26 113.32 1kel n ASN 195 Ca -0.07 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.52 1kel n ASN 195 Cb 0.63 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.81 1kel n ASN 195 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1kel s SER 196 N -4.40 6.65 -0.15 1.20 0.15 -1.26 -1.06 113.70 114.83 1kel s SER 196 Ca -0.00 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.43 1kel s SER 196 Cb 0.00 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1kel s SER 196 CO 0.00 -0.13 -0.15 -0.31 1.20 0.00 0.00 173.24 173.85 1kel s TYR 197 N 1.29 2.21 -0.02 3.44 2.02 -0.46 -0.21 117.35 125.63 1kel s TYR 197 Ca 0.26 -1.24 0.05 0.00 -0.37 0.00 0.00 57.07 55.77 1kel s TYR 197 Cb -0.15 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1kel s TYR 197 CO 0.10 -0.67 -0.16 0.99 -1.57 0.00 0.00 175.55 174.25 1kel s THR 198 N 1.42 1.29 -0.18 -0.71 2.01 -0.11 -1.03 115.64 118.32 1kel s THR 198 Ca 0.04 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1kel s THR 198 Cb -0.13 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.29 1kel s THR 198 CO -0.10 0.37 -0.14 0.00 -0.69 0.00 0.00 174.62 174.06 1kel s GLU 200 N 1.18 2.00 -0.05 0.00 2.12 0.71 -0.99 118.70 123.66 1kel s GLU 200 Ca 0.02 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.85 1kel s GLU 200 Cb -0.14 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.61 1kel s GLU 200 CO -0.06 0.11 -0.24 0.00 -0.54 0.00 0.00 175.26 174.53 1kel s ALA 201 N 0.46 2.07 -0.12 6.30 0.00 0.14 -0.15 121.76 130.46 1kel s ALA 201 Ca -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1kel s ALA 201 Cb -0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1kel s ALA 201 CO 0.05 0.40 -0.20 0.95 0.00 0.00 0.00 175.76 176.96 1kel s THR 202 N -0.15 2.43 0.04 0.00 -4.23 0.20 0.37 115.64 114.30 1kel s THR 202 Ca -0.03 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1kel s THR 202 Cb -0.13 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 1kel s THR 202 CO 0.03 0.54 -0.05 -2.28 -0.54 0.00 0.00 174.62 172.32 1kel s HIS 203 N 0.41 0.52 0.06 3.99 2.46 -1.26 -1.74 115.29 119.73 1kel s HIS 203 Ca -0.15 -0.59 0.20 0.00 0.47 0.00 0.00 55.06 54.99 1kel s HIS 203 Cb -0.17 -0.33 1.10 0.00 -0.13 0.00 0.00 32.58 33.06 1kel s HIS 203 CO 0.07 -0.15 1.58 1.57 -2.47 0.00 0.00 174.74 175.33 1kel h LYS 204 N 4.31 0.00 0.00 2.88 2.10 -1.94 -1.65 116.57 122.27 1kel h LYS 204 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1kel h LYS 204 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1kel h LYS 204 CO 0.45 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.15 1kel n THR 205 N -2.29 0.75 -3.60 0.07 -2.24 -1.26 -4.81 114.28 100.89 1kel n THR 205 Ca -0.01 0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1kel n THR 205 Cb 0.21 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.44 1kel n THR 205 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kel s SER 206 N -3.57 -0.65 0.32 3.42 0.15 -0.62 -5.00 113.70 107.76 1kel s SER 206 Ca 0.08 1.01 0.17 0.00 0.70 0.00 0.00 55.95 57.91 1kel s SER 206 Cb 0.11 0.96 0.34 0.00 -1.71 0.00 0.00 66.02 65.72 1kel s SER 206 CO 0.38 -0.40 1.57 0.71 1.20 0.00 0.00 173.24 176.70 1kel h THR 207 N 3.63 0.83 -3.35 6.45 1.35 -1.87 -3.39 112.91 116.55 1kel h THR 207 Ca -0.28 -1.90 -0.56 0.00 -0.55 0.00 0.00 66.41 63.12 1kel h THR 207 Cb 1.15 2.21 -0.05 0.00 -1.73 0.00 0.00 68.15 69.74 1kel h THR 207 CO 0.23 0.43 0.04 -0.44 -0.25 0.00 0.00 175.52 175.53 1kel s SER 208 N -6.42 7.02 0.54 5.36 0.01 -1.26 -5.05 113.70 113.90 1kel s SER 208 Ca 0.03 1.22 -0.17 0.00 1.31 0.00 0.00 55.95 58.33 1kel s SER 208 Cb 0.09 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1kel s SER 208 CO 0.72 0.02 1.03 -2.84 0.41 0.00 0.00 173.24 172.58 1kel s PRO 209 N 0.13 3.64 -0.24 12.44 0.02 -1.26 -4.82 135.00 144.90 1kel s PRO 209 Ca 0.34 1.18 -0.18 0.00 0.02 0.00 0.00 61.00 62.36 1kel s PRO 209 Cb -0.18 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 1kel s PRO 209 CO 0.18 -0.55 0.53 0.42 -0.33 0.00 0.00 177.00 177.25 1kel s ILE 210 N -2.36 5.07 -0.16 2.83 1.01 0.16 -4.88 121.20 122.88 1kel s ILE 210 Ca 0.63 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 1kel s ILE 210 Cb -0.14 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1kel s ILE 210 CO 0.30 0.10 -0.11 -0.69 0.00 0.00 0.00 174.94 174.54 1kel s VAL 211 N 2.15 3.12 -0.07 2.92 1.01 -1.26 0.27 120.40 128.53 1kel s VAL 211 Ca 0.22 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1kel s VAL 211 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1kel s VAL 211 CO 0.09 0.50 -0.12 -0.54 0.00 0.00 0.00 175.10 175.04 1kel s LYS 212 N 0.67 1.67 0.15 2.72 -0.14 -0.17 -5.01 119.74 119.63 1kel s LYS 212 Ca -0.06 -0.39 -0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1kel s LYS 212 Cb -0.15 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 1kel s LYS 212 CO 0.02 -0.02 0.06 -1.12 -0.76 0.00 0.00 175.35 173.54 1kel s SER 213 N 0.81 0.35 0.02 2.83 0.01 -1.26 -0.31 113.70 116.15 1kel s SER 213 Ca -0.12 -1.24 -0.09 0.00 1.31 0.00 0.00 55.95 55.82 1kel s SER 213 Cb -0.15 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1kel s SER 213 CO 0.02 -0.74 0.18 0.72 0.41 0.00 0.00 173.24 173.83 1kel s PHE 214 N -4.04 0.04 -0.12 2.43 -0.12 -0.20 -5.00 117.98 110.98 1kel s PHE 214 Ca 0.27 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 1kel s PHE 214 Cb 0.07 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1kel s PHE 214 CO 0.04 -0.37 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.87 1kel s ASN 215 N -1.78 3.74 0.32 1.98 0.01 -1.26 -1.35 114.94 116.60 1kel s ASN 215 Ca -0.09 -0.39 0.07 0.00 -0.71 0.00 0.00 52.86 51.74 1kel s ASN 215 Cb -0.04 -1.54 0.78 0.00 0.41 0.00 0.00 41.25 40.86 1kel s ASN 215 CO -0.01 0.17 1.79 -0.09 -1.51 0.00 0.00 177.10 177.44 1kel h ARG 216 N 6.69 0.71 -0.03 -0.60 2.43 -1.40 -3.50 114.38 118.68 1kel h ARG 216 Ca -0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1kel h ARG 216 Cb 1.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1kel h ARG 216 CO 0.53 0.47 0.00 0.09 -1.51 0.00 0.00 179.97 179.55