#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kps s THR 3 N 0.00 1.75 -0.06 3.15 -4.23 -1.26 -4.66 115.64 110.33 3kps s THR 3 Ca 0.00 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 3kps s THR 3 Cb 0.00 -1.80 0.01 0.00 1.34 0.00 0.00 72.50 72.05 3kps s THR 3 CO 0.00 -0.33 -0.14 0.42 -0.54 0.00 0.00 174.62 174.03 3kps s THR 4 N -2.07 1.20 0.06 3.99 -4.23 0.25 -4.96 115.64 109.88 3kps s THR 4 Ca 0.15 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3kps s THR 4 Cb -0.06 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 3kps s THR 4 CO 0.06 0.36 -0.05 0.00 -0.54 0.00 0.00 174.62 174.46 3kps s GLN 5 N 0.44 0.64 0.32 3.99 -2.07 -1.26 -0.36 119.66 121.36 3kps s GLN 5 Ca -0.11 -1.12 -0.26 0.00 -1.82 0.00 0.00 55.36 52.05 3kps s GLN 5 Cb -0.14 -0.01 -0.14 0.00 -1.09 0.00 0.00 33.01 31.63 3kps s GLN 5 CO 0.03 -0.05 0.88 -2.30 -1.32 0.00 0.00 175.29 172.53 3kps n PRO 7 N 0.44 1.08 0.10 9.60 -0.02 -1.26 -4.88 135.00 140.06 3kps n PRO 7 Ca -0.16 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 3kps n PRO 7 Cb 0.59 -1.73 0.27 0.00 -0.02 0.00 0.00 33.50 32.62 3kps n PRO 7 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3kps h ASN 8 N 1.62 0.23 -5.13 2.55 -0.73 -1.96 -3.35 115.58 108.80 3kps h ASN 8 Ca -0.39 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 57.67 3kps h ASN 8 Cb 1.36 -0.06 -0.09 0.00 0.27 0.00 0.00 38.32 39.79 3kps h ASN 8 CO 0.58 0.56 -0.01 -0.94 -0.37 0.00 0.00 177.43 177.25 3kps s SER 9 N -6.88 -0.20 -0.25 1.15 1.04 -1.26 -2.02 113.70 105.28 3kps s SER 9 Ca -0.05 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 3kps s SER 9 Cb 0.14 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.92 3kps s SER 9 CO 0.76 -1.10 0.65 -0.32 0.98 0.00 0.00 173.24 174.21 3kps s MET 10 N -3.92 0.75 0.16 4.02 1.75 0.19 -4.86 119.30 117.39 3kps s MET 10 Ca 0.13 0.93 0.10 0.00 -1.25 0.00 0.00 55.69 55.61 3kps s MET 10 Cb -0.01 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 37.96 3kps s MET 10 CO 0.02 -0.10 -0.21 -1.21 -0.65 0.00 0.00 175.02 172.87 3kps s GLU 11 N 0.46 1.63 0.22 4.11 0.41 -1.26 -1.50 118.70 122.77 3kps s GLU 11 Ca -0.01 -1.36 -0.19 0.00 -0.41 0.00 0.00 54.97 52.99 3kps s GLU 11 Cb -0.05 -1.97 0.03 0.00 -1.78 0.00 0.00 34.13 30.37 3kps s GLU 11 CO -0.01 0.44 0.61 -1.54 -0.49 0.00 0.00 175.26 174.26 3kps s SER 12 N -2.42 -0.31 0.44 -0.19 1.04 -0.90 -4.98 113.70 106.39 3kps s SER 12 Ca 0.19 -0.46 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 3kps s SER 12 Cb -0.09 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.57 3kps s SER 12 CO 0.10 -1.15 0.99 0.20 0.98 0.00 0.00 173.24 174.36 3kps s ASN 13 N -2.88 6.72 0.58 7.02 -0.87 -1.26 -0.52 114.94 123.73 3kps s ASN 13 Ca 0.09 1.83 -0.19 0.00 -1.57 0.00 0.00 52.86 53.02 3kps s ASN 13 Cb -0.03 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 3kps s ASN 13 CO -0.00 -0.51 1.18 -1.83 -2.57 0.00 0.00 177.10 173.37 3kps s GLU 14 N -3.05 3.09 -1.48 -0.60 -1.05 0.23 -3.33 118.70 112.51 3kps s GLU 14 Ca 0.63 1.76 -0.06 0.00 -0.15 0.00 0.00 54.97 57.15 3kps s GLU 14 Cb -0.14 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 3kps s GLU 14 CO 0.18 -1.09 0.76 0.39 0.95 0.00 0.00 175.26 176.44 3kps n GLU 15 N -1.51 -5.69 -4.22 -4.83 1.02 0.22 -4.87 120.64 100.77 3kps n GLU 15 Ca 0.13 0.88 -0.19 0.00 -0.02 0.00 0.00 57.16 57.95 3kps n GLU 15 Cb 0.50 -5.76 -0.12 0.00 -0.02 0.00 0.00 31.44 26.05 3kps n GLU 15 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kps s GLU 16 N -5.85 0.94 0.52 3.49 2.02 -1.21 -4.81 118.70 113.80 3kps s GLU 16 Ca 0.38 -1.08 -0.21 0.00 0.02 0.00 0.00 54.97 54.07 3kps s GLU 16 Cb -0.17 -0.97 -0.06 0.00 0.10 0.00 0.00 34.13 33.04 3kps s GLU 16 CO 0.47 0.21 1.20 -1.25 0.02 0.00 0.00 175.26 175.91 3kps s PRO 17 N -2.05 3.41 -0.06 0.39 0.04 -1.16 -1.43 135.00 134.14 3kps s PRO 17 Ca 0.03 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 3kps s PRO 17 Cb -0.08 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3kps s PRO 17 CO 0.03 -0.86 0.02 0.08 0.04 0.00 0.00 177.00 176.31 3kps s VAL 18 N -1.55 0.22 -0.71 -0.36 1.01 -0.16 -4.94 120.40 113.90 3kps s VAL 18 Ca 0.70 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 3kps s VAL 18 Cb -0.30 -0.41 0.19 0.00 0.00 0.00 0.00 36.38 35.86 3kps s VAL 18 CO 0.35 0.23 0.58 -1.00 0.00 0.00 0.00 175.10 175.26 3kps s HIS 19 N 2.02 3.56 -0.36 5.22 3.76 -1.26 -1.49 115.29 126.74 3kps s HIS 19 Ca 0.05 -2.39 -0.29 0.00 -0.15 0.00 0.00 55.06 52.28 3kps s HIS 19 Cb -0.12 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.10 3kps s HIS 19 CO -0.04 -0.91 1.37 -0.51 -0.85 0.00 0.00 174.74 173.79 3kps s LEU 20 N 0.06 3.73 0.25 0.89 1.43 0.95 -4.88 118.68 121.12 3kps s LEU 20 Ca 0.17 1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3kps s LEU 20 Cb -0.16 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 3kps s LEU 20 CO -0.06 -1.27 0.58 -2.16 0.23 0.00 0.00 176.35 173.68 3kps s PRO 21 N 4.57 3.80 -0.03 1.29 0.04 -1.26 -0.03 135.00 143.38 3kps s PRO 21 Ca 0.59 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 3kps s PRO 21 Cb -0.15 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.78 3kps s PRO 21 CO 0.28 0.27 0.08 0.00 0.04 0.00 0.00 177.00 177.68 3kps s ASN 23 N 0.07 3.13 -0.47 0.00 -0.87 0.51 -0.86 114.94 116.46 3kps s ASN 23 Ca -0.00 -0.60 0.05 0.00 -1.57 0.00 0.00 52.86 50.74 3kps s ASN 23 Cb -0.01 -1.45 0.20 0.00 -0.02 0.00 0.00 41.25 39.97 3kps s ASN 23 CO 0.00 0.08 0.44 0.00 -2.57 0.00 0.00 177.10 175.05 3kps n HIS 24 N 4.10 0.20 -0.35 2.20 1.44 0.57 -0.59 115.22 122.80 3kps n HIS 24 Ca -0.20 -3.59 0.12 0.00 -2.01 0.00 0.00 57.72 52.04 3kps n HIS 24 Cb 0.51 -0.09 0.31 0.00 0.12 0.00 0.00 29.99 30.85 3kps n HIS 24 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3kps h SER 25 N 5.08 0.80 -0.43 4.39 0.87 -1.81 -3.23 113.55 119.22 3kps h SER 25 Ca 0.20 0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.62 3kps h SER 25 Cb 0.86 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.63 3kps h SER 25 CO 0.48 0.31 0.01 0.35 -0.53 0.00 0.00 176.83 177.46 3kps n THR 26 N -4.73 2.64 -2.40 2.23 -2.24 -1.26 -4.88 114.28 103.64 3kps n THR 26 Ca 0.22 -2.62 -0.39 0.00 -2.27 0.00 0.00 64.05 59.00 3kps n THR 26 Cb 0.54 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3kps n THR 26 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3kps s ILE 27 N -3.24 3.36 0.58 2.28 2.07 -1.22 -4.96 121.20 120.08 3kps s ILE 27 Ca 0.46 1.20 -0.18 0.00 -1.41 0.00 0.00 60.65 60.71 3kps s ILE 27 Cb 0.41 -3.69 -0.04 0.00 0.13 0.00 0.00 42.46 39.27 3kps s ILE 27 CO 0.01 0.15 1.15 -0.44 -1.91 0.00 0.00 174.94 173.91 3kps s SER 28 N -1.13 5.40 0.46 4.50 0.01 -1.26 -4.92 113.70 116.78 3kps s SER 28 Ca 0.53 2.22 0.25 0.00 1.31 0.00 0.00 55.95 60.26 3kps s SER 28 Cb -0.29 -2.58 1.37 0.00 0.21 0.00 0.00 66.02 64.73 3kps s SER 28 CO 0.37 -1.44 1.74 1.23 0.41 0.00 0.00 173.24 175.56 3kps h GLY 29 N 0.86 0.00 -0.03 3.44 0.00 -2.00 -2.61 103.07 102.73 3kps h GLY 29 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kps h GLY 29 CO 0.56 0.00 -0.02 -1.30 0.00 0.00 0.00 176.54 175.78 3kps n THR 30 N -2.49 0.88 -2.96 4.70 -2.24 -1.26 -5.01 114.28 105.90 3kps n THR 30 Ca -0.02 -0.93 -0.40 0.00 -2.27 0.00 0.00 64.05 60.43 3kps n THR 30 Cb 0.20 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3kps n THR 30 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kps s ASP 30 N -1.03 7.05 0.38 3.42 1.01 -0.98 -4.98 116.67 121.54 3kps s ASP 30 Ca 0.04 1.27 -0.25 0.00 0.71 0.00 0.00 52.55 54.32 3kps s ASP 30 Cb 0.03 -2.45 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 3kps s ASP 30 CO 0.00 -0.19 1.05 -0.31 0.21 0.00 0.00 175.17 175.93 3kps s TYR 31 N 1.05 3.33 -0.10 4.23 1.51 -1.26 -4.84 117.35 121.26 3kps s TYR 31 Ca 0.40 1.66 -0.18 0.00 -1.01 0.00 0.00 57.07 57.94 3kps s TYR 31 Cb -0.18 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 3kps s TYR 31 CO 0.19 -0.56 0.47 0.42 -1.11 0.00 0.00 175.55 174.96 3kps s ILE 32 N -1.61 5.17 0.03 2.71 -1.09 0.37 -4.33 121.20 122.45 3kps s ILE 32 Ca 0.56 0.94 0.07 0.00 -2.23 0.00 0.00 60.65 59.98 3kps s ILE 32 Cb -0.23 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 3kps s ILE 32 CO 0.29 0.35 -0.20 -1.00 -1.23 0.00 0.00 174.94 173.15 3kps s HIS 33 N 0.44 1.75 -0.07 3.97 3.76 -0.06 -0.66 115.29 124.42 3kps s HIS 33 Ca 0.26 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 3kps s HIS 33 Cb -0.15 -1.06 0.01 0.00 1.11 0.00 0.00 32.58 32.49 3kps s HIS 33 CO 0.11 0.06 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.33 3kps s TRP 34 N -0.72 1.63 0.15 1.40 0.52 0.34 -0.85 118.94 121.41 3kps s TRP 34 Ca 0.07 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.68 3kps s TRP 34 Cb -0.08 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 3kps s TRP 34 CO 0.01 -0.27 -0.18 0.71 0.02 0.00 0.00 176.95 177.24 3kps s TYR 35 N 0.52 1.76 0.09 -1.98 1.51 -0.26 -0.91 117.35 118.07 3kps s TYR 35 Ca -0.13 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.48 3kps s TYR 35 Cb -0.15 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3kps s TYR 35 CO 0.04 0.29 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.71 3kps s ARG 36 N -2.69 0.79 -0.15 -0.62 1.70 -0.31 0.57 118.95 118.23 3kps s ARG 36 Ca 0.14 -1.17 -0.02 0.00 -0.47 0.00 0.00 55.73 54.20 3kps s ARG 36 Cb -0.06 -0.34 0.05 0.00 -0.57 0.00 0.00 34.95 34.03 3kps s ARG 36 CO 0.06 0.03 0.02 -1.14 -1.08 0.00 0.00 175.30 173.19 3kps s GLN 37 N -3.06 0.68 0.48 3.89 0.74 -0.34 0.23 119.66 122.28 3kps s GLN 37 Ca 0.06 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 55.03 3kps s GLN 37 Cb -0.00 -1.76 -0.09 0.00 1.10 0.00 0.00 33.01 32.26 3kps s GLN 37 CO -0.02 -0.53 0.96 -0.51 -0.55 0.00 0.00 175.29 174.64 3kps s LEU 38 N 1.89 3.73 0.02 3.68 1.02 -1.26 -1.53 118.68 126.23 3kps s LEU 38 Ca 0.01 1.58 -0.36 0.00 0.02 0.00 0.00 54.13 55.38 3kps s LEU 38 Cb -0.15 -4.49 -0.14 0.00 0.02 0.00 0.00 46.19 41.42 3kps s LEU 38 CO -0.07 -0.51 1.60 -2.65 0.02 0.00 0.00 176.35 174.75 3kps n PRO 39 N -1.28 1.74 -3.03 1.29 -0.02 -1.26 -2.13 135.00 130.31 3kps n PRO 39 Ca 0.06 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 62.02 3kps n PRO 39 Cb 0.54 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3kps n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kps n SER 40 N 4.16 -4.88 -3.95 2.55 2.88 -1.26 -5.00 113.62 108.11 3kps n SER 40 Ca 0.20 -0.29 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 3kps n SER 40 Cb 0.24 -3.60 -0.08 0.00 -0.75 0.00 0.00 64.21 60.02 3kps n SER 40 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3kps s GLN 41 N -5.63 0.96 0.76 -1.46 -0.21 -0.91 -5.16 119.66 108.01 3kps s GLN 41 Ca 0.31 -1.13 -0.11 0.00 0.02 0.00 0.00 55.36 54.46 3kps s GLN 41 Cb -0.14 0.33 0.05 0.00 1.00 0.00 0.00 33.01 34.25 3kps s GLN 41 CO 0.39 -0.32 1.08 0.20 -2.12 0.00 0.00 175.29 174.52 3kps s GLY 42 N -2.93 1.65 0.64 3.09 0.00 -1.26 -4.58 107.32 103.93 3kps s GLY 42 Ca 0.12 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.72 3kps s GLY 42 CO -0.05 0.40 1.14 -4.14 0.00 0.00 0.00 173.10 170.45 3kps s PRO 43 N -5.03 2.84 0.05 2.90 0.02 -1.26 -4.53 135.00 129.99 3kps s PRO 43 Ca 0.60 1.54 0.05 0.00 0.02 0.00 0.00 61.00 63.20 3kps s PRO 43 Cb -0.15 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 3kps s PRO 43 CO 0.55 -1.24 -0.13 -1.83 -0.33 0.00 0.00 177.00 174.02 3kps s GLU 44 N -3.81 0.83 0.24 5.54 -1.05 0.14 -4.98 118.70 115.60 3kps s GLU 44 Ca 0.70 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 54.41 3kps s GLU 44 Cb -0.23 -0.81 -0.09 0.00 -0.44 0.00 0.00 34.13 32.55 3kps s GLU 44 CO 0.38 0.19 1.28 -0.47 0.95 0.00 0.00 175.26 177.59 3kps s TYR 45 N -1.05 3.24 -0.16 4.83 5.04 -1.26 -1.16 117.35 126.83 3kps s TYR 45 Ca -0.01 1.33 -0.14 0.00 -2.44 0.00 0.00 57.07 55.81 3kps s TYR 45 Cb -0.09 -3.58 -0.06 0.00 0.35 0.00 0.00 41.96 38.58 3kps s TYR 45 CO 0.02 -1.70 -0.29 0.28 -1.34 0.00 0.00 175.55 172.51 3kps n VAL 46 N 1.96 1.41 -3.57 3.14 0.31 -0.09 -4.88 118.33 116.61 3kps n VAL 46 Ca 0.04 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.36 3kps n VAL 46 Cb 0.43 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 3kps n VAL 46 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3kps s ILE 47 N -2.68 0.00 0.22 2.52 2.07 -1.12 -4.96 121.20 117.25 3kps s ILE 47 Ca -0.26 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 58.94 3kps s ILE 47 Cb 0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 3kps s ILE 47 CO 0.37 0.00 0.22 -1.38 -1.91 0.00 0.00 174.94 172.24 3kps s HIS 48 N -1.96 0.97 0.22 3.50 -3.43 -1.26 -0.50 115.29 112.82 3kps s HIS 48 Ca 0.05 -1.22 -0.19 0.00 -0.80 0.00 0.00 55.06 52.90 3kps s HIS 48 Cb -0.01 -0.37 0.07 0.00 -1.43 0.00 0.00 32.58 30.84 3kps s HIS 48 CO -0.04 -0.74 0.93 0.41 -2.00 0.00 0.00 174.74 173.30 3kps n GLY 49 N -0.31 0.72 0.92 -1.38 0.00 0.17 -4.86 105.19 100.45 3kps n GLY 49 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3kps n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kps n LEU 50 N 0.00 0.00 -0.01 0.99 7.94 -1.26 -0.48 117.00 124.18 3kps n LEU 50 Ca -0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.84 3kps n LEU 50 Cb 0.56 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 3kps n LEU 50 CO 0.22 -0.34 -0.59 0.35 -1.11 0.00 0.00 177.39 175.92 3kps n THR 51 N -2.01 0.15 -2.99 1.96 -2.24 -1.26 -4.76 114.28 103.14 3kps n THR 51 Ca 0.00 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 3kps n THR 51 Cb 0.00 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.36 3kps n THR 51 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kps s SER 52 N -4.50 6.68 0.16 3.42 1.04 -1.26 -4.72 113.70 114.52 3kps s SER 52 Ca -0.04 1.25 -0.31 0.00 0.48 0.00 0.00 55.95 57.34 3kps s SER 52 Cb 0.01 -2.37 -0.09 0.00 0.10 0.00 0.00 66.02 63.68 3kps s SER 52 CO 0.06 -0.30 1.38 0.20 0.98 0.00 0.00 173.24 175.55 3kps s ASN 54 N -2.64 6.82 0.18 7.02 0.01 -1.26 -4.88 114.94 120.18 3kps s ASN 54 Ca 0.54 2.40 0.06 0.00 -0.71 0.00 0.00 52.86 55.14 3kps s ASN 54 Cb -0.10 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 3kps s ASN 54 CO 0.23 -0.63 0.14 -0.69 -1.51 0.00 0.00 177.10 174.64 3kps s VAL 55 N 0.66 4.43 -0.01 1.60 1.01 -0.94 -4.96 120.40 122.19 3kps s VAL 55 Ca 0.62 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3kps s VAL 55 Cb -0.38 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3kps s VAL 55 CO 0.34 -0.16 -0.04 0.20 0.00 0.00 0.00 175.10 175.44 3kps s ASN 56 N -3.23 0.57 0.25 3.32 -0.87 -1.26 -1.36 114.94 112.35 3kps s ASN 56 Ca 0.31 -0.08 0.01 0.00 -1.57 0.00 0.00 52.86 51.52 3kps s ASN 56 Cb -0.10 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.04 3kps s ASN 56 CO 0.23 0.04 0.06 0.59 -2.57 0.00 0.00 177.10 175.45 3kps n ASN 57 N 3.13 2.42 -2.96 -1.22 3.02 0.31 -4.98 115.26 114.98 3kps n ASN 57 Ca -0.15 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.34 3kps n ASN 57 Cb 0.57 0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.86 3kps n ASN 57 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kps n ARG 58 N -0.75 -1.96 0.00 3.52 3.00 -1.26 -4.31 116.66 114.91 3kps n ARG 58 Ca -0.07 1.85 0.00 0.00 -0.01 0.00 0.00 57.85 59.62 3kps n ARG 58 Cb 0.30 -5.60 0.00 0.00 0.00 0.00 0.00 32.46 27.16 3kps n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kps n MET 61 N -0.89 0.00 -4.20 5.56 0.00 -1.26 -4.97 117.12 111.35 3kps n MET 61 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.59 3kps n MET 61 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.59 3kps n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kps s ALA 62 N 0.00 1.31 0.12 3.17 0.00 -1.26 -3.48 121.76 121.62 3kps s ALA 62 Ca 0.00 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 50.89 3kps s ALA 62 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3kps s ALA 62 CO 0.00 0.09 -0.26 -1.12 0.00 0.00 0.00 175.76 174.47 3kps s SER 63 N -2.21 3.37 -0.17 0.00 0.01 -0.18 0.11 113.70 114.62 3kps s SER 63 Ca 0.05 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.59 3kps s SER 63 Cb -0.06 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.91 3kps s SER 63 CO 0.02 0.19 -0.16 -0.22 0.41 0.00 0.00 173.24 173.48 3kps s LEU 64 N -1.98 2.40 -0.30 2.44 2.96 -0.46 -0.53 118.68 123.20 3kps s LEU 64 Ca 0.14 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3kps s LEU 64 Cb -0.10 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.08 3kps s LEU 64 CO 0.06 0.04 0.01 0.00 -1.32 0.00 0.00 176.35 175.14 3kps s ALA 65 N 1.06 2.84 -0.23 5.97 0.00 -0.33 -2.21 121.76 128.85 3kps s ALA 65 Ca -0.01 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.11 3kps s ALA 65 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 3kps s ALA 65 CO -0.04 -1.24 0.17 0.42 0.00 0.00 0.00 175.76 175.06 3kps s ILE 66 N 1.28 5.35 0.89 0.00 1.01 -1.26 -1.02 121.20 127.45 3kps s ILE 66 Ca -0.04 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 3kps s ILE 66 Cb -0.19 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.80 3kps s ILE 66 CO -0.01 0.35 0.57 0.00 0.00 0.00 0.00 174.94 175.85 3kps n ALA 67 N 4.22 -1.98 -0.15 9.38 0.00 -0.80 -4.86 120.51 126.31 3kps n ALA 67 Ca -0.15 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 52.80 3kps n ALA 67 Cb 0.52 -1.89 0.29 0.00 0.00 0.00 0.00 19.45 18.37 3kps n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kps h GLU 68 N -1.30 0.85 -0.01 0.00 4.57 -1.95 -1.37 114.58 115.37 3kps h GLU 68 Ca -0.44 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3kps h GLU 68 Cb 1.30 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3kps h GLU 68 CO 0.38 0.59 -0.15 -0.40 -1.18 0.00 0.00 179.01 178.24 3kps n ASP 69 N -4.41 1.17 -1.01 1.04 5.68 -1.26 -4.95 116.55 112.80 3kps n ASP 69 Ca 0.06 -1.10 -0.13 0.00 -0.50 0.00 0.00 54.79 53.12 3kps n ASP 69 Cb 0.07 0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.06 3kps n ASP 69 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kps n ARG 70 N -0.36 -1.34 0.00 0.11 1.74 -0.52 -4.89 116.66 111.40 3kps n ARG 70 Ca 0.15 0.95 0.15 0.00 -0.77 0.00 0.00 57.85 58.32 3kps n ARG 70 Cb 0.35 -5.20 0.76 0.00 -1.02 0.00 0.00 32.46 27.35 3kps n ARG 70 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kps n LYS 71 N -1.77 0.48 -3.56 5.56 5.02 -1.26 -4.82 118.16 117.81 3kps n LYS 71 Ca -0.13 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.03 3kps n LYS 71 Cb 0.54 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 3kps n LYS 71 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kps s SER 72 N -2.53 -0.44 0.06 4.39 1.04 -1.26 -0.31 113.70 114.64 3kps s SER 72 Ca 0.30 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.38 3kps s SER 72 Cb 0.20 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.95 3kps s SER 72 CO 0.46 -1.03 0.34 -0.94 0.98 0.00 0.00 173.24 173.05 3kps s SER 73 N -2.80 -0.17 -0.08 7.02 1.04 -0.04 -1.91 113.70 116.76 3kps s SER 73 Ca 0.04 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.34 3kps s SER 73 Cb -0.02 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3kps s SER 73 CO -0.08 -0.67 -0.22 -0.89 0.98 0.00 0.00 173.24 172.36 3kps s THR 74 N -2.75 1.90 -0.01 2.02 2.01 -0.19 -0.23 115.64 118.40 3kps s THR 74 Ca -0.04 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 3kps s THR 74 Cb -0.00 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 3kps s THR 74 CO -0.05 0.53 0.50 -0.22 -0.69 0.00 0.00 174.62 174.70 3kps s LEU 75 N 0.24 4.44 -0.17 4.42 2.96 0.96 -1.19 118.68 130.34 3kps s LEU 75 Ca -0.14 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 3kps s LEU 75 Cb -0.16 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.80 3kps s LEU 75 CO 0.07 0.20 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.56 3kps s ILE 76 N -0.55 1.48 -0.25 6.68 1.01 0.31 -0.03 121.20 129.85 3kps s ILE 76 Ca 0.27 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3kps s ILE 76 Cb -0.17 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3kps s ILE 76 CO 0.15 0.26 0.17 -0.76 0.00 0.00 0.00 174.94 174.76 3kps s LEU 77 N 1.49 4.10 0.13 2.97 1.43 -0.55 -1.01 118.68 127.23 3kps s LEU 77 Ca 0.01 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3kps s LEU 77 Cb -0.15 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 3kps s LEU 77 CO -0.09 0.04 1.40 0.45 0.23 0.00 0.00 176.35 178.38 3kps h HIS 78 N 7.64 1.07 -1.93 0.29 3.86 -1.86 -0.40 115.15 123.82 3kps h HIS 78 Ca -0.37 -0.40 -0.41 0.00 -1.16 0.00 0.00 60.37 58.02 3kps h HIS 78 Cb 1.17 -0.20 -0.31 0.00 1.06 0.00 0.00 27.41 29.14 3kps h HIS 78 CO 0.68 1.23 -0.76 0.50 0.86 0.00 0.00 177.93 180.44 3kps s ARG 79 N -4.06 0.81 0.15 2.45 3.52 -1.26 -2.97 118.95 117.59 3kps s ARG 79 Ca -0.10 -1.36 -0.31 0.00 -0.13 0.00 0.00 55.73 53.82 3kps s ARG 79 Cb 0.10 -0.86 -0.09 0.00 -1.56 0.00 0.00 34.95 32.54 3kps s ARG 79 CO 0.89 -1.29 1.54 0.00 -0.81 0.00 0.00 175.30 175.63 3kps s ALA 80 N 0.82 3.73 0.45 6.12 0.00 -0.51 -4.79 121.76 127.58 3kps s ALA 80 Ca 0.25 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.57 3kps s ALA 80 Cb -0.06 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3kps s ALA 80 CO -0.09 -0.77 0.22 0.95 0.00 0.00 0.00 175.76 176.08 3kps s THR 81 N 1.27 2.06 0.20 0.00 -4.23 -1.26 0.70 115.64 114.38 3kps s THR 81 Ca 0.69 -1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 3kps s THR 81 Cb -0.42 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 70.83 3kps s THR 81 CO 0.31 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 176.06 3kps h LEU 82 N 1.24 0.17 -0.97 4.79 3.38 -1.95 -0.68 115.31 121.29 3kps h LEU 82 Ca -0.41 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3kps h LEU 82 Cb 1.27 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kps h LEU 82 CO 0.67 0.11 0.14 -1.14 0.09 0.00 0.00 178.44 178.31 3kps n ARG 83 N -5.02 0.10 0.00 1.13 0.63 -1.26 -0.89 116.66 111.34 3kps n ARG 83 Ca 0.08 0.57 0.13 0.00 -0.92 0.00 0.00 57.85 57.71 3kps n ARG 83 Cb 0.26 -1.96 0.48 0.00 0.45 0.00 0.00 32.46 31.70 3kps n ARG 83 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3kps n ASP 84 N -2.03 0.22 -4.58 6.15 10.43 -0.26 -4.81 116.55 121.66 3kps n ASP 84 Ca -0.01 0.14 -0.40 0.00 2.57 0.00 0.00 54.79 57.10 3kps n ASP 84 Cb 0.16 -0.19 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 3kps n ASP 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kps s ALA 85 N -2.96 2.23 0.36 2.24 0.00 -0.07 -4.88 121.76 118.68 3kps s ALA 85 Ca 0.14 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 3kps s ALA 85 Cb 0.19 -4.20 0.01 0.00 0.00 0.00 0.00 23.12 19.12 3kps s ALA 85 CO 0.59 -3.56 0.55 0.00 0.00 0.00 0.00 175.76 173.33 3kps s ALA 86 N 9.93 0.55 -0.09 0.00 0.00 -1.08 -4.43 121.76 126.64 3kps s ALA 86 Ca 0.96 -1.42 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 3kps s ALA 86 Cb -0.24 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3kps s ALA 86 CO 0.30 -0.83 0.58 0.08 0.00 0.00 0.00 175.76 175.90 3kps s VAL 87 N -2.79 5.12 -0.29 0.00 1.01 -0.58 -0.24 120.40 122.63 3kps s VAL 87 Ca 0.28 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 3kps s VAL 87 Cb -0.01 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3kps s VAL 87 CO 0.20 0.29 0.04 -0.31 0.00 0.00 0.00 175.10 175.31 3kps s TYR 88 N 0.71 3.15 -0.22 5.22 2.02 0.30 -1.20 117.35 127.32 3kps s TYR 88 Ca 0.31 -1.28 -0.10 0.00 -0.37 0.00 0.00 57.07 55.63 3kps s TYR 88 Cb -0.16 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 3kps s TYR 88 CO 0.14 -0.66 0.14 0.71 -1.57 0.00 0.00 175.55 174.31 3kps s TYR 89 N 1.41 3.34 -0.35 2.71 1.51 0.19 -0.24 117.35 125.93 3kps s TYR 89 Ca 0.01 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 3kps s TYR 89 Cb -0.18 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3kps s TYR 89 CO 0.00 0.14 0.19 0.00 -1.11 0.00 0.00 175.55 174.77 3kps s ILE 91 N 1.60 1.75 -0.87 0.00 1.01 -0.03 -4.58 121.20 120.07 3kps s ILE 91 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3kps s ILE 91 Cb -0.18 -1.50 0.21 0.00 0.01 0.00 0.00 42.46 41.00 3kps s ILE 91 CO 0.07 0.31 0.74 -0.76 0.00 0.00 0.00 174.94 175.30 3kps s LEU 92 N -0.99 5.44 0.47 2.97 1.02 -1.26 -0.88 118.68 125.45 3kps s LEU 92 Ca 0.08 -3.76 0.12 0.00 0.02 0.00 0.00 54.13 50.60 3kps s LEU 92 Cb -0.09 -1.87 1.09 0.00 0.02 0.00 0.00 46.19 45.34 3kps s LEU 92 CO 0.01 -0.16 2.09 -0.65 0.02 0.00 0.00 176.35 177.66 3kps h PRO 93 N 5.89 0.25 0.00 1.29 0.11 -1.89 -1.44 132.00 136.22 3kps h PRO 93 Ca 0.16 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kps h PRO 93 Cb 0.80 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kps h PRO 93 CO 0.84 0.17 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.71 3kps h LEU 94 N 0.26 0.00 -3.55 2.35 3.38 -1.85 -3.33 115.31 112.57 3kps h LEU 94 Ca 0.09 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.56 3kps h LEU 94 Cb 0.05 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.84 3kps h LEU 94 CO -0.02 0.02 -0.96 0.00 0.09 0.00 0.00 178.44 177.57 3kps n ALA 95 N -2.10 -2.60 -3.03 1.53 0.00 -0.54 -1.66 120.51 112.10 3kps n ALA 95 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 3kps n ALA 95 Cb 0.49 -3.21 0.03 0.00 0.00 0.00 0.00 19.45 16.76 3kps n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kps n GLY 96 N -1.86 -0.52 2.12 0.00 0.00 -1.26 -2.09 105.19 101.58 3kps n GLY 96 Ca -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3kps n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kps n GLY 97 N -1.45 0.65 0.02 -0.02 0.00 -0.76 -4.92 105.19 98.71 3kps n GLY 97 Ca -0.11 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.12 3kps n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kps n THR 98 N -3.01 0.00 -4.21 2.61 -2.24 -0.74 -5.03 114.28 101.66 3kps n THR 98 Ca -0.04 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3kps n THR 98 Cb 0.19 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3kps n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kps s SER 99 N -2.38 0.55 0.00 3.42 0.15 -0.66 -5.02 113.70 109.75 3kps s SER 99 Ca 0.06 -1.29 0.01 0.00 0.70 0.00 0.00 55.95 55.43 3kps s SER 99 Cb 0.11 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3kps s SER 99 CO 0.60 -0.74 0.53 0.00 1.20 0.00 0.00 173.24 174.83 3kps n TYR 100 N -0.23 0.00 0.00 3.44 0.18 -1.26 -4.56 117.16 114.73 3kps n TYR 100 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 3kps n TYR 100 Cb 0.65 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 3kps n TYR 100 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kps n GLY 102 N 0.08 1.01 3.68 -7.48 0.00 -1.25 -5.01 105.19 96.22 3kps n GLY 102 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kps n GLY 102 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kps n LYS 103 N 0.00 1.88 -3.55 1.61 2.85 -1.26 -4.91 118.16 114.78 3kps n LYS 103 Ca 0.00 0.67 -0.37 0.00 -1.05 0.00 0.00 58.31 57.55 3kps n LYS 103 Cb 0.00 -2.30 -0.09 0.00 -0.65 0.00 0.00 35.03 31.99 3kps n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kps s LEU 104 N -1.28 4.12 -1.00 -5.58 1.43 -1.26 -4.85 118.68 110.25 3kps s LEU 104 Ca 0.60 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.82 3kps s LEU 104 Cb -0.54 -2.26 0.21 0.00 0.03 0.00 0.00 46.19 43.62 3kps s LEU 104 CO 0.59 0.00 1.07 -0.89 0.23 0.00 0.00 176.35 177.35 3kps s THR 105 N 1.20 5.41 0.45 5.49 2.01 -1.26 -5.03 115.64 123.91 3kps s THR 105 Ca 0.12 -2.56 -0.25 0.00 0.31 0.00 0.00 61.69 59.30 3kps s THR 105 Cb -0.14 -4.66 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 3kps s THR 105 CO 0.06 -1.29 1.41 -0.36 -0.69 0.00 0.00 174.62 173.75 3kps s PHE 106 N 0.62 2.50 0.00 4.92 0.40 -1.26 -4.78 117.98 120.38 3kps s PHE 106 Ca 0.30 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 3kps s PHE 106 Cb -0.07 -3.89 0.00 0.00 0.51 0.00 0.00 43.02 39.57 3kps s PHE 106 CO -0.07 -2.84 0.00 0.41 0.70 0.00 0.00 175.22 173.42 3kps n GLY 107 N 0.59 -0.25 0.07 4.36 0.00 -1.26 -4.92 105.19 103.77 3kps n GLY 107 Ca 0.05 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 3kps n GLY 107 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kps h GLN 108 N 0.00 0.00 0.00 1.61 5.75 -1.94 -3.51 115.11 117.01 3kps h GLN 108 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kps h GLN 108 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3kps h GLN 108 CO 0.00 0.92 0.00 0.41 -2.65 0.00 0.00 178.83 177.51 3kps n GLY 109 N 1.35 -1.36 3.42 2.39 0.00 -1.26 -4.90 105.19 104.84 3kps n GLY 109 Ca -0.01 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 3kps n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kps s THR 110 N -1.42 3.61 -0.28 2.61 2.01 0.67 -4.56 115.64 118.28 3kps s THR 110 Ca 0.00 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 3kps s THR 110 Cb 0.00 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.92 3kps s THR 110 CO 0.00 0.47 0.92 -0.63 -0.69 0.00 0.00 174.62 174.69 3kps s ILE 111 N 0.74 4.71 -0.27 1.82 1.01 -0.86 0.11 121.20 128.47 3kps s ILE 111 Ca -0.02 1.59 -0.07 0.00 0.00 0.00 0.00 60.65 62.15 3kps s ILE 111 Cb -0.15 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 3kps s ILE 111 CO 0.02 -0.25 0.06 -0.22 0.00 0.00 0.00 174.94 174.55 3kps s LEU 112 N 3.15 3.54 -0.18 2.97 2.96 0.67 -0.64 118.68 131.16 3kps s LEU 112 Ca 0.39 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3kps s LEU 112 Cb -0.14 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3kps s LEU 112 CO 0.11 -0.10 0.10 -0.89 -1.32 0.00 0.00 176.35 174.24 3kps s THR 113 N 1.55 5.15 -0.25 3.68 2.01 -0.56 -2.63 115.64 124.58 3kps s THR 113 Ca 0.05 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3kps s THR 113 Cb -0.16 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 3kps s THR 113 CO 0.02 0.48 0.14 -0.69 -0.69 0.00 0.00 174.62 173.88 3kps s VAL 114 N 0.12 5.12 -0.01 3.82 1.01 -1.26 -2.11 120.40 127.08 3kps s VAL 114 Ca 0.07 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3kps s VAL 114 Cb -0.12 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3kps s VAL 114 CO -0.00 0.33 0.39 -1.00 0.00 0.00 0.00 175.10 174.81 3kps s HIS 115 N 1.28 3.71 0.48 5.22 3.76 0.32 -4.91 115.29 125.15 3kps s HIS 115 Ca 0.07 0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 55.70 3kps s HIS 115 Cb -0.14 -2.27 -0.07 0.00 1.11 0.00 0.00 32.58 31.21 3kps s HIS 115 CO 0.06 0.64 1.19 -1.25 -0.85 0.00 0.00 174.74 174.53 3kps s PRO 116 N -1.02 3.64 -1.23 8.40 0.04 -1.26 -0.60 135.00 142.96 3kps s PRO 116 Ca 0.23 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 3kps s PRO 116 Cb -0.16 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3kps s PRO 116 CO 0.12 -0.67 1.78 1.21 0.04 0.00 0.00 177.00 179.48 3kps s ASN 117 N -1.32 6.21 -0.85 6.66 3.84 -1.26 -4.68 114.94 123.54 3kps s ASN 117 Ca 0.65 -2.06 -0.25 0.00 0.21 0.00 0.00 52.86 51.41 3kps s ASN 117 Cb -0.30 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 37.81 3kps s ASN 117 CO 0.36 -1.82 1.74 -0.63 -2.79 0.00 0.00 177.10 173.96 3kps s ILE 118 N 6.51 3.57 -0.04 -5.21 -1.09 -1.26 -4.77 121.20 118.91 3kps s ILE 118 Ca 0.58 -0.25 -0.22 0.00 -2.23 0.00 0.00 60.65 58.53 3kps s ILE 118 Cb 0.02 -4.34 -0.29 0.00 -1.58 0.00 0.00 42.46 36.27 3kps s ILE 118 CO 0.08 -1.27 0.94 -0.61 -1.23 0.00 0.00 174.94 172.84 3kps h GLN 119 N 11.58 0.29 -3.32 2.79 4.15 -1.94 -3.40 115.11 125.26 3kps h GLN 119 Ca 0.00 -0.44 -0.64 0.00 0.77 0.00 0.00 58.65 58.34 3kps h GLN 119 Cb 1.04 0.16 -0.40 0.00 0.21 0.00 0.00 27.48 28.48 3kps h GLN 119 CO 1.27 1.18 -0.57 -0.80 -1.93 0.00 0.00 178.83 177.98 3kps s ASN 120 N -6.83 4.61 0.47 -0.69 0.01 -1.26 -5.10 114.94 106.15 3kps s ASN 120 Ca -0.14 -3.26 -0.19 0.00 -0.71 0.00 0.00 52.86 48.56 3kps s ASN 120 Cb 0.01 -1.67 -0.09 0.00 0.41 0.00 0.00 41.25 39.91 3kps s ASN 120 CO 0.81 -0.20 0.97 -2.16 -1.51 0.00 0.00 177.10 175.01 3kps s PRO 121 N -0.64 4.08 -0.40 -0.60 0.04 -1.26 -5.03 135.00 131.19 3kps s PRO 121 Ca 0.20 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.35 3kps s PRO 121 Cb -0.19 -2.15 0.22 0.00 0.04 0.00 0.00 34.50 32.41 3kps s PRO 121 CO -0.05 -0.16 0.46 -3.47 0.04 0.00 0.00 177.00 173.82 3kps n ASP 122 N -1.09 -0.27 -4.75 6.66 -0.08 0.17 -5.03 116.55 112.16 3kps n ASP 122 Ca 0.07 -2.59 -0.41 0.00 -1.51 0.00 0.00 54.79 50.35 3kps n ASP 122 Cb 0.54 -0.47 -0.02 0.00 2.34 0.00 0.00 41.12 43.51 3kps n ASP 122 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3kps s PRO 123 N -0.58 4.17 -0.02 -0.67 0.04 -1.22 -4.57 135.00 132.16 3kps s PRO 123 Ca 0.34 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.56 3kps s PRO 123 Cb 0.12 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.67 3kps s PRO 123 CO -0.15 -0.55 0.67 0.00 0.04 0.00 0.00 177.00 177.01 3kps s ALA 124 N -0.04 -1.74 -0.18 8.56 0.00 -0.96 0.13 121.76 127.53 3kps s ALA 124 Ca 0.61 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.75 3kps s ALA 124 Cb -0.46 0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3kps s ALA 124 CO 0.47 -0.44 -0.15 0.08 0.00 0.00 0.00 175.76 175.72 3kps s VAL 125 N -1.62 2.57 0.07 0.00 1.01 -0.86 -1.32 120.40 120.25 3kps s VAL 125 Ca -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3kps s VAL 125 Cb -0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3kps s VAL 125 CO 0.06 0.50 -0.20 -0.31 0.00 0.00 0.00 175.10 175.16 3kps s TYR 126 N 1.17 2.50 -0.15 5.22 2.02 0.47 -4.44 117.35 124.13 3kps s TYR 126 Ca 0.01 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 3kps s TYR 126 Cb -0.14 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 3kps s TYR 126 CO -0.06 0.29 0.08 -1.14 -1.57 0.00 0.00 175.55 173.14 3kps s GLN 127 N -1.69 3.67 -0.26 -0.62 0.74 -1.26 -0.59 119.66 119.65 3kps s GLN 127 Ca 0.15 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.29 3kps s GLN 127 Cb -0.10 -3.14 0.07 0.00 1.10 0.00 0.00 33.01 30.93 3kps s GLN 127 CO 0.06 0.49 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.75 3kps s LEU 128 N -0.24 2.93 0.59 3.68 1.02 -0.26 -4.99 118.68 121.40 3kps s LEU 128 Ca 0.09 -1.36 -0.17 0.00 0.02 0.00 0.00 54.13 52.70 3kps s LEU 128 Cb -0.12 -1.26 -0.04 0.00 0.02 0.00 0.00 46.19 44.80 3kps s LEU 128 CO 0.01 -0.26 1.11 0.00 0.02 0.00 0.00 176.35 177.24 3kps s ARG 129 N 1.31 3.15 0.26 1.70 1.70 -1.26 -2.96 118.95 122.85 3kps s ARG 129 Ca -0.03 1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 56.42 3kps s ARG 129 Cb -0.19 -1.99 -0.09 0.00 -0.57 0.00 0.00 34.95 32.11 3kps s ARG 129 CO -0.08 -0.99 1.09 0.34 -1.08 0.00 0.00 175.30 174.58 3kps s ASP 130 N -2.16 7.30 0.28 -2.89 2.15 -0.77 -4.95 116.67 115.62 3kps s ASP 130 Ca 0.70 2.22 0.07 0.00 0.43 0.00 0.00 52.55 55.97 3kps s ASP 130 Cb -0.22 -2.62 0.38 0.00 -0.30 0.00 0.00 42.92 40.16 3kps s ASP 130 CO 0.33 -0.13 1.64 0.77 -0.17 0.00 0.00 175.17 177.61 3kps h SER 131 N 4.04 0.17 0.00 -0.34 4.64 -1.94 -3.37 113.55 116.75 3kps h SER 131 Ca -0.46 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3kps h SER 131 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kps h SER 131 CO 0.68 0.67 -0.18 0.50 -0.87 0.00 0.00 176.83 177.63 3kps h LYS 132 N 0.12 0.00 -5.62 4.77 1.63 -1.99 -3.46 116.57 112.02 3kps h LYS 132 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 3kps h LYS 132 Cb 0.98 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.52 3kps h LYS 132 CO 0.08 0.00 -0.32 0.45 -3.45 0.00 0.00 179.45 176.21 3kps s SER 133 N -4.67 6.51 0.13 4.20 0.15 -1.26 -5.01 113.70 113.74 3kps s SER 133 Ca -0.05 0.60 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 3kps s SER 133 Cb 0.01 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 3kps s SER 133 CO 0.08 0.19 1.57 -1.28 1.20 0.00 0.00 173.24 174.99 3kps h SER 134 N 6.05 0.71 -0.08 5.45 0.87 -1.90 -3.31 113.55 121.34 3kps h SER 134 Ca -0.45 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 59.79 3kps h SER 134 Cb 1.18 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3kps h SER 134 CO 0.70 0.85 0.04 0.44 -0.53 0.00 0.00 176.83 178.33 3kps h ASP 135 N 0.55 0.10 -3.07 6.23 3.32 -1.95 -3.40 116.42 118.21 3kps h ASP 135 Ca 0.11 -0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kps h ASP 135 Cb 0.49 -0.03 0.08 0.00 0.22 0.00 0.00 39.33 40.09 3kps h ASP 135 CO 0.02 0.19 0.89 0.29 -1.72 0.00 0.00 179.24 178.91 3kps n LYS 136 N -4.97 2.66 -4.30 3.56 5.02 -1.26 -4.92 118.16 113.95 3kps n LYS 136 Ca -0.06 0.95 -0.16 0.00 -2.02 0.00 0.00 58.31 57.02 3kps n LYS 136 Cb 0.09 -2.74 -0.10 0.00 -0.02 0.00 0.00 35.03 32.25 3kps n LYS 136 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kps s SER 137 N 0.65 1.61 -0.12 4.39 0.15 -1.26 -1.85 113.70 117.27 3kps s SER 137 Ca 0.67 -1.22 -0.20 0.00 0.70 0.00 0.00 55.95 55.91 3kps s SER 137 Cb -0.51 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 3kps s SER 137 CO 0.44 -0.54 0.50 -0.69 1.20 0.00 0.00 173.24 174.15 3kps s VAL 138 N -3.51 0.01 -0.11 4.45 1.01 -1.16 -4.80 120.40 116.30 3kps s VAL 138 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 3kps s VAL 138 Cb 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3kps s VAL 138 CO 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 175.10 175.11 3kps s LEU 140 N -0.47 1.84 -0.27 0.00 2.96 0.24 -0.75 118.68 122.23 3kps s LEU 140 Ca 0.08 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 3kps s LEU 140 Cb -0.12 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 3kps s LEU 140 CO 0.02 -0.03 0.19 0.12 -1.32 0.00 0.00 176.35 175.34 3kps s PHE 141 N 1.35 3.24 0.14 5.38 5.36 -0.54 -0.40 117.98 132.51 3kps s PHE 141 Ca 0.03 0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.13 3kps s PHE 141 Cb -0.13 -2.36 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 3kps s PHE 141 CO -0.10 -0.11 0.12 -0.08 -1.46 0.00 0.00 175.22 173.59 3kps s THR 142 N 1.61 0.10 -0.92 0.12 -1.32 -0.44 -1.26 115.64 113.53 3kps s THR 142 Ca 0.07 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 3kps s THR 142 Cb -0.15 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 3kps s THR 142 CO 0.09 -0.44 0.00 0.47 -2.21 0.00 0.00 174.62 172.53 3kps n ASP 143 N -0.12 -4.49 -4.88 8.08 9.92 -0.81 -2.27 116.55 121.99 3kps n ASP 143 Ca -0.07 0.21 -0.30 0.00 -0.53 0.00 0.00 54.79 54.11 3kps n ASP 143 Cb 0.63 -2.75 -0.01 0.00 -0.64 0.00 0.00 41.12 38.34 3kps n ASP 143 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3kps s PHE 144 N -2.17 3.53 0.79 1.24 -0.12 -1.26 -0.66 117.98 119.33 3kps s PHE 144 Ca 0.00 1.13 -0.08 0.00 -0.05 0.00 0.00 56.93 57.93 3kps s PHE 144 Cb 0.00 -2.54 0.17 0.00 -0.63 0.00 0.00 43.02 40.02 3kps s PHE 144 CO 0.00 -0.34 1.08 -0.40 -0.05 0.00 0.00 175.22 175.51 3kps n ASP 145 N -1.93 0.68 0.15 1.98 5.68 -1.26 -4.29 116.55 117.56 3kps n ASP 145 Ca 0.04 -1.75 0.13 0.00 -0.50 0.00 0.00 54.79 52.70 3kps n ASP 145 Cb 0.54 -0.77 0.49 0.00 -1.14 0.00 0.00 41.12 40.24 3kps n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3kps h SER 146 N -1.08 0.00 0.47 -1.12 0.02 -1.89 -2.94 113.55 107.01 3kps h SER 146 Ca -0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3kps h SER 146 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3kps h SER 146 CO 0.30 0.00 -0.00 1.56 -1.14 0.00 0.00 176.83 177.55 3kps h GLN 147 N 0.00 0.00 -5.82 3.45 1.08 -1.98 -3.43 115.11 108.42 3kps h GLN 147 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 3kps h GLN 147 Cb 0.50 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 3kps h GLN 147 CO 0.00 0.00 -0.03 0.99 -0.95 0.00 0.00 178.83 178.84 3kps s THR 148 N -3.93 5.12 -0.13 -0.54 2.01 -1.11 -5.07 115.64 111.98 3kps s THR 148 Ca -0.02 1.14 -0.07 0.00 0.31 0.00 0.00 61.69 63.06 3kps s THR 148 Cb 0.11 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3kps s THR 148 CO 0.47 0.27 0.11 0.20 -0.69 0.00 0.00 174.62 174.98 3kps s ASN 149 N 0.78 6.09 -0.18 3.53 0.01 -1.26 -5.01 114.94 118.89 3kps s ASN 149 Ca 0.30 0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 52.68 3kps s ASN 149 Cb -0.16 -1.96 -0.05 0.00 0.41 0.00 0.00 41.25 39.49 3kps s ASN 149 CO 0.13 0.34 0.17 -0.69 -1.51 0.00 0.00 177.10 175.55 3kps s VAL 150 N -0.64 5.38 0.17 1.60 1.01 -1.26 -4.52 120.40 122.14 3kps s VAL 150 Ca 0.12 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3kps s VAL 150 Cb -0.12 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3kps s VAL 150 CO 0.02 0.44 0.24 -0.44 0.00 0.00 0.00 175.10 175.36 3kps s SER 151 N 0.31 6.03 0.14 3.32 0.01 -1.26 -4.94 113.70 117.31 3kps s SER 151 Ca 0.11 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.10 3kps s SER 151 Cb -0.12 -1.73 -0.07 0.00 0.21 0.00 0.00 66.02 64.32 3kps s SER 151 CO -0.00 0.04 1.15 -1.10 0.41 0.00 0.00 173.24 173.74 3kps s GLN 152 N -3.33 4.52 0.52 12.44 -1.52 -1.26 -4.89 119.66 126.14 3kps s GLN 152 Ca 0.33 1.76 -0.19 0.00 -1.95 0.00 0.00 55.36 55.32 3kps s GLN 152 Cb -0.10 -3.29 -0.07 0.00 -0.22 0.00 0.00 33.01 29.32 3kps s GLN 152 CO 0.27 -0.07 1.05 -1.54 -0.25 0.00 0.00 175.29 174.74 3kps s SER 153 N 0.34 6.16 0.00 5.90 1.04 -1.26 -4.90 113.70 120.98 3kps s SER 153 Ca 0.53 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.89 3kps s SER 153 Cb -0.30 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.41 3kps s SER 153 CO 0.33 -0.91 0.58 2.29 0.98 0.00 0.00 173.24 176.52 3kps n LYS 154 N -1.27 0.45 -4.70 4.02 2.85 -1.26 -4.73 118.16 113.52 3kps n LYS 154 Ca 0.09 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.02 3kps n LYS 154 Cb 0.52 -1.08 -0.14 0.00 -0.65 0.00 0.00 35.03 33.69 3kps n LYS 154 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3kps s ASP 155 N -1.62 4.18 0.39 -5.58 3.68 -1.26 -5.03 116.67 111.43 3kps s ASP 155 Ca 0.03 -0.28 0.08 0.00 2.13 0.00 0.00 52.55 54.51 3kps s ASP 155 Cb 0.02 -1.64 0.83 0.00 -1.45 0.00 0.00 42.92 40.67 3kps s ASP 155 CO 0.03 0.17 1.98 0.28 0.13 0.00 0.00 175.17 177.76 3kps h SER 156 N 6.69 0.56 -0.65 -0.34 0.02 -2.04 -2.88 113.55 114.91 3kps h SER 156 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3kps h SER 156 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3kps h SER 156 CO 0.57 0.37 0.00 0.47 -1.14 0.00 0.00 176.83 177.10 3kps n ASP 157 N -4.47 3.55 -4.08 3.07 9.92 -1.26 -4.81 116.55 118.47 3kps n ASP 157 Ca 0.09 -2.03 -0.32 0.00 -0.53 0.00 0.00 54.79 52.00 3kps n ASP 157 Cb 0.22 -0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 40.10 3kps n ASP 157 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kps s VAL 158 N -1.17 2.14 -0.21 2.53 1.01 -1.09 -1.69 120.40 121.91 3kps s VAL 158 Ca 0.44 -1.46 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 3kps s VAL 158 Cb 0.23 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3kps s VAL 158 CO 0.29 0.11 0.31 -0.31 0.00 0.00 0.00 175.10 175.50 3kps s TYR 159 N 1.15 3.36 -0.11 5.22 2.02 0.54 -4.67 117.35 124.86 3kps s TYR 159 Ca -0.05 0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 57.12 3kps s TYR 159 Cb -0.18 -2.42 0.03 0.00 -0.40 0.00 0.00 41.96 38.98 3kps s TYR 159 CO -0.07 0.04 -0.06 0.42 -1.57 0.00 0.00 175.55 174.31 3kps s ILE 160 N 1.15 0.90 0.52 2.71 1.01 -1.26 -1.58 121.20 124.64 3kps s ILE 160 Ca 0.15 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3kps s ILE 160 Cb -0.14 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 3kps s ILE 160 CO 0.06 0.33 1.01 0.42 0.00 0.00 0.00 174.94 176.76 3kps s THR 161 N 1.76 4.21 0.85 2.92 -4.23 -0.10 -4.81 115.64 116.24 3kps s THR 161 Ca 0.05 1.15 -0.12 0.00 -1.18 0.00 0.00 61.69 61.59 3kps s THR 161 Cb -0.13 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.24 3kps s THR 161 CO -0.08 -0.52 1.15 0.47 -0.54 0.00 0.00 174.62 175.10 3kps n ASP 162 N -1.46 0.67 -4.77 3.99 8.00 -1.26 -4.39 116.55 117.33 3kps n ASP 162 Ca 0.08 0.53 -0.40 0.00 0.71 0.00 0.00 54.79 55.70 3kps n ASP 162 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.14 3kps n ASP 162 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3kps s LYS 163 N -4.24 4.19 0.05 -1.24 -2.85 -1.25 -4.66 119.74 109.75 3kps s LYS 163 Ca 0.71 2.22 0.09 0.00 -1.00 0.00 0.00 55.97 57.98 3kps s LYS 163 Cb -0.27 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.53 3kps s LYS 163 CO 0.54 -0.33 -0.25 0.95 0.10 0.00 0.00 175.35 176.36 3kps s THR 164 N -1.19 1.99 0.04 3.79 -4.23 0.42 -4.92 115.64 111.55 3kps s THR 164 Ca 0.52 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3kps s THR 164 Cb -0.40 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.67 3kps s THR 164 CO 0.52 0.28 0.63 -0.69 -0.54 0.00 0.00 174.62 174.82 3kps s VAL 165 N -0.83 4.77 -0.16 2.29 1.01 -1.26 -1.15 120.40 125.07 3kps s VAL 165 Ca 0.10 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.41 3kps s VAL 165 Cb -0.10 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 3kps s VAL 165 CO 0.02 0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 175.23 3kps s LEU 166 N -0.58 2.52 -0.38 3.92 1.98 0.29 -4.97 118.68 121.46 3kps s LEU 166 Ca 0.32 -0.46 0.01 0.00 -2.89 0.00 0.00 54.13 51.10 3kps s LEU 166 Cb -0.19 -1.58 0.11 0.00 0.66 0.00 0.00 46.19 45.18 3kps s LEU 166 CO 0.19 0.08 0.14 -0.62 -1.89 0.00 0.00 176.35 174.25 3kps s ASP 167 N 0.87 5.01 -1.01 3.68 -1.08 -1.26 -1.96 116.67 120.92 3kps s ASP 167 Ca -0.04 -2.13 -0.17 0.00 -0.52 0.00 0.00 52.55 49.69 3kps s ASP 167 Cb -0.15 -1.73 0.14 0.00 -1.46 0.00 0.00 42.92 39.72 3kps s ASP 167 CO -0.01 -0.46 1.22 -0.04 0.52 0.00 0.00 175.17 176.40 3kps s MET 168 N 0.98 3.73 0.41 4.34 -1.94 0.12 -4.91 119.30 122.04 3kps s MET 168 Ca 0.10 -1.98 0.09 0.00 -1.71 0.00 0.00 55.69 52.19 3kps s MET 168 Cb -0.21 -4.97 0.86 0.00 2.01 0.00 0.00 34.83 32.53 3kps s MET 168 CO -0.06 -1.78 1.99 0.00 -0.01 0.00 0.00 175.02 175.16 3kps h ARG 169 N 8.38 0.33 0.00 2.03 3.08 -1.96 -2.14 114.38 124.09 3kps h ARG 169 Ca 0.20 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3kps h ARG 169 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3kps h ARG 169 CO 1.15 0.33 -0.19 0.66 -1.07 0.00 0.00 179.97 180.86 3kps h SER 170 N 0.32 0.00 -0.41 7.04 4.64 -1.96 -3.18 113.55 120.00 3kps h SER 170 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3kps h SER 170 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3kps h SER 170 CO 0.00 0.19 0.00 0.23 -0.87 0.00 0.00 176.83 176.38 3kps n MET 171 N -3.26 2.92 -4.07 4.77 2.81 -0.85 -5.00 117.12 114.44 3kps n MET 171 Ca 0.01 -2.27 -0.42 0.00 -1.81 0.00 0.00 57.70 53.21 3kps n MET 171 Cb 0.47 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 3kps n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kps n ASP 172 N 0.60 -3.35 -3.81 7.83 2.03 -0.91 -4.94 116.55 114.00 3kps n ASP 172 Ca 0.15 -1.26 -0.17 0.00 0.52 0.00 0.00 54.79 54.03 3kps n ASP 172 Cb 0.53 -1.88 -0.16 0.00 -0.72 0.00 0.00 41.12 38.88 3kps n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kps s PHE 173 N -3.67 0.31 0.09 -0.67 5.36 -1.02 -5.03 117.98 113.35 3kps s PHE 173 Ca 0.40 0.01 0.08 0.00 -0.96 0.00 0.00 56.93 56.46 3kps s PHE 173 Cb -0.21 -0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 42.00 3kps s PHE 173 CO 0.96 -0.14 -0.21 0.15 -1.46 0.00 0.00 175.22 174.52 3kps s LYS 174 N 1.15 1.18 -0.01 10.12 1.02 -1.26 0.16 119.74 132.10 3kps s LYS 174 Ca -0.08 -1.10 -0.14 0.00 0.02 0.00 0.00 55.97 54.68 3kps s LYS 174 Cb -0.13 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3kps s LYS 174 CO -0.02 0.34 0.28 -1.54 -0.92 0.00 0.00 175.35 173.49 3kps s SER 175 N -1.71 -0.15 0.03 2.83 1.04 -0.83 -4.94 113.70 109.98 3kps s SER 175 Ca 0.06 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 3kps s SER 175 Cb -0.10 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3kps s SER 175 CO 0.04 -0.44 0.29 0.20 0.98 0.00 0.00 173.24 174.30 3kps s ASN 176 N -1.36 6.49 0.04 7.02 0.01 -1.26 -0.55 114.94 125.33 3kps s ASN 176 Ca -0.14 0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 52.50 3kps s ASN 176 Cb -0.05 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 3kps s ASN 176 CO 0.04 0.21 0.12 -0.94 -1.51 0.00 0.00 177.10 175.02 3kps s SER 177 N -1.87 0.15 0.03 -1.22 1.04 -0.30 -1.93 113.70 109.59 3kps s SER 177 Ca 0.30 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.28 3kps s SER 177 Cb -0.13 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3kps s SER 177 CO 0.18 -0.54 -0.16 0.00 0.98 0.00 0.00 173.24 173.71 3kps s ALA 178 N -2.71 1.33 -0.14 5.32 0.00 -0.39 -0.43 121.76 124.74 3kps s ALA 178 Ca -0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 3kps s ALA 178 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3kps s ALA 178 CO -0.05 0.28 -0.09 0.08 0.00 0.00 0.00 175.76 175.98 3kps s VAL 179 N -0.71 3.40 -0.08 0.00 1.01 -1.26 -1.47 120.40 121.28 3kps s VAL 179 Ca 0.04 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kps s VAL 179 Cb -0.08 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3kps s VAL 179 CO 0.01 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 3kps s ALA 180 N 0.29 1.45 0.04 5.51 0.00 0.07 -0.92 121.76 128.21 3kps s ALA 180 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 3kps s ALA 180 Cb -0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 3kps s ALA 180 CO 0.04 0.08 0.15 1.67 0.00 0.00 0.00 175.76 177.71 3kps s TRP 181 N 0.73 0.13 0.02 0.00 -2.14 -0.62 0.15 118.94 117.21 3kps s TRP 181 Ca -0.13 -0.41 0.01 0.00 2.66 0.00 0.00 56.10 58.24 3kps s TRP 181 Cb -0.16 -0.08 -0.02 0.00 -3.10 0.00 0.00 33.47 30.11 3kps s TRP 181 CO 0.03 -0.42 -0.06 0.45 -2.66 0.00 0.00 176.95 174.29 3kps s SER 182 N -2.20 0.62 0.19 -2.66 0.15 -1.26 -0.34 113.70 108.20 3kps s SER 182 Ca -0.04 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 3kps s SER 182 Cb -0.00 0.02 0.21 0.00 -1.71 0.00 0.00 66.02 64.54 3kps s SER 182 CO -0.05 -0.14 1.73 0.78 1.20 0.00 0.00 173.24 176.76 3kps h ASN 183 N 5.01 0.13 -2.15 5.45 4.21 -1.74 -3.44 115.58 123.05 3kps h ASN 183 Ca -0.32 0.08 -0.60 0.00 1.21 0.00 0.00 56.30 56.66 3kps h ASN 183 Cb 1.20 0.08 0.04 0.00 -1.12 0.00 0.00 38.32 38.52 3kps h ASN 183 CO 0.44 0.09 0.93 0.29 -1.29 0.00 0.00 177.43 177.89 3kps n LYS 184 N -5.04 2.14 0.05 0.81 4.76 -1.26 -4.87 118.16 114.75 3kps n LYS 184 Ca 0.06 0.78 0.06 0.00 -2.87 0.00 0.00 58.31 56.34 3kps n LYS 184 Cb 0.24 -2.58 0.29 0.00 -1.84 0.00 0.00 35.03 31.13 3kps n LYS 184 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3kps n SER 185 N 4.90 0.21 -3.61 4.39 7.64 -1.26 -3.70 113.62 122.18 3kps n SER 185 Ca 0.20 0.57 -0.27 0.00 1.01 0.00 0.00 58.87 60.38 3kps n SER 185 Cb 0.29 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.78 3kps n SER 185 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kps n ASP 186 N -1.75 2.39 -4.10 6.43 2.03 -1.26 -5.06 116.55 115.22 3kps n ASP 186 Ca 0.01 -3.09 -0.20 0.00 0.52 0.00 0.00 54.79 52.03 3kps n ASP 186 Cb 0.10 -0.69 -0.14 0.00 -0.72 0.00 0.00 41.12 39.68 3kps n ASP 186 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3kps s PHE 187 N -1.49 1.10 0.05 -0.67 -0.12 -1.24 -5.16 117.98 110.45 3kps s PHE 187 Ca 0.32 -0.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.97 3kps s PHE 187 Cb 0.05 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 3kps s PHE 187 CO -0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 175.22 174.96 3kps s ALA 188 N -0.59 2.97 0.40 1.99 0.00 -1.26 -5.00 121.76 120.26 3kps s ALA 188 Ca 0.02 -1.14 0.13 0.00 0.00 0.00 0.00 51.96 50.97 3kps s ALA 188 Cb -0.06 -1.00 0.82 0.00 0.00 0.00 0.00 23.12 22.88 3kps s ALA 188 CO 0.00 0.63 1.89 0.00 0.00 0.00 0.00 175.76 178.28 3kps h ALA 190 N 1.69 1.74 -0.00 0.00 0.00 -1.96 -2.85 119.26 117.88 3kps h ALA 190 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kps h ALA 190 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kps h ALA 190 CO 0.04 -0.10 -0.00 0.27 0.00 0.00 0.00 179.25 179.45 3kps n ASN 191 N -4.01 0.34 -0.34 0.00 2.04 -1.14 -4.79 115.26 107.37 3kps n ASN 191 Ca -0.01 -0.67 0.19 0.00 -0.44 0.00 0.00 54.58 53.65 3kps n ASN 191 Cb 0.17 0.66 0.43 0.00 -2.53 0.00 0.00 39.78 38.51 3kps n ASN 191 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kps h ALA 192 N 0.01 1.97 -0.55 -2.53 0.00 -1.06 -0.56 119.26 116.54 3kps h ALA 192 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 3kps h ALA 192 Cb 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 3kps h ALA 192 CO 0.00 -0.40 0.09 1.19 0.00 0.00 0.00 179.25 180.13 3kps n PHE 193 N -4.76 1.73 -0.15 0.00 3.01 -1.26 -4.62 117.46 111.41 3kps n PHE 193 Ca 0.26 -1.79 0.07 0.00 1.01 0.00 0.00 57.45 57.00 3kps n PHE 193 Cb 0.78 -0.64 0.39 0.00 -0.01 0.00 0.00 39.48 39.99 3kps n PHE 193 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3kps h ASN 194 N 1.12 0.59 0.00 4.37 4.21 -1.43 -1.78 115.58 122.67 3kps h ASN 194 Ca 0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 3kps h ASN 194 Cb 1.87 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.95 3kps h ASN 194 CO 0.64 0.38 0.00 -3.20 -1.29 0.00 0.00 177.43 173.96 3kps n ASN 195 N -4.48 0.00 -4.44 5.81 5.15 -1.26 -4.75 115.26 111.28 3kps n ASN 195 Ca 0.10 -1.29 -0.29 0.00 -0.60 0.00 0.00 54.58 52.50 3kps n ASN 195 Cb 0.25 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.38 3kps n ASN 195 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3kps s SER 196 N -1.39 3.64 -0.69 1.20 0.01 -0.67 -4.56 113.70 111.24 3kps s SER 196 Ca 0.04 -0.62 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 3kps s SER 196 Cb 0.02 -0.42 0.06 0.00 0.21 0.00 0.00 66.02 65.89 3kps s SER 196 CO 0.03 0.19 1.04 -0.63 0.41 0.00 0.00 173.24 174.28 3kps s ILE 197 N -1.08 4.20 0.15 1.44 1.01 -1.26 -5.04 121.20 120.62 3kps s ILE 197 Ca 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3kps s ILE 197 Cb -0.10 -4.74 -0.03 0.00 0.01 0.00 0.00 42.46 37.59 3kps s ILE 197 CO 0.08 -1.55 0.29 0.27 0.00 0.00 0.00 174.94 174.02 3kps s ILE 198 N 4.41 5.32 0.46 2.92 -4.36 -1.26 -4.67 121.20 124.01 3kps s ILE 198 Ca 0.25 -0.71 -0.23 0.00 -0.26 0.00 0.00 60.65 59.71 3kps s ILE 198 Cb -0.14 -3.75 -0.09 0.00 1.25 0.00 0.00 42.46 39.73 3kps s ILE 198 CO 0.10 -0.11 1.08 -2.65 0.24 0.00 0.00 174.94 173.60 3kps n PRO 199 N -0.60 1.41 0.00 0.37 -0.02 -1.26 -4.84 135.00 130.07 3kps n PRO 199 Ca -0.07 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 3kps n PRO 199 Cb 0.54 -2.17 0.21 0.00 -0.02 0.00 0.00 33.50 32.06 3kps n PRO 199 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kps n GLU 200 N -0.16 0.00 -0.73 -0.52 -0.58 -1.26 -2.03 120.64 115.36 3kps n GLU 200 Ca 0.10 0.34 0.06 0.00 -0.42 0.00 0.00 57.16 57.23 3kps n GLU 200 Cb 0.41 -1.51 0.16 0.00 -0.57 0.00 0.00 31.44 29.94 3kps n GLU 200 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3kps n ASP 201 N -1.51 1.58 -4.67 1.62 5.75 -1.26 -5.03 116.55 113.02 3kps n ASP 201 Ca 0.02 -3.42 -0.42 0.00 -0.01 0.00 0.00 54.79 50.97 3kps n ASP 201 Cb 0.11 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 3kps n ASP 201 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3kps s THR 202 N -2.49 2.84 -0.03 2.12 2.01 -0.86 -4.67 115.64 114.56 3kps s THR 202 Ca 0.36 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3kps s THR 202 Cb 0.36 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3kps s THR 202 CO -0.08 -0.00 1.20 0.12 -0.69 0.00 0.00 174.62 175.17 3kps s PHE 203 N 3.82 3.24 -0.35 4.92 5.36 0.12 -4.88 117.98 130.21 3kps s PHE 203 Ca 0.85 1.23 0.03 0.00 -0.96 0.00 0.00 56.93 58.09 3kps s PHE 203 Cb -0.44 -3.42 0.10 0.00 -0.34 0.00 0.00 43.02 38.92 3kps s PHE 203 CO 0.39 -1.32 0.07 -0.06 -1.46 0.00 0.00 175.22 172.85 3kps s PHE 204 N 1.93 3.37 0.21 10.12 0.40 -1.26 -2.03 117.98 130.72 3kps s PHE 204 Ca 0.57 -2.79 -0.20 0.00 -0.60 0.00 0.00 56.93 53.90 3kps s PHE 204 Cb -0.26 -2.71 -0.08 0.00 0.51 0.00 0.00 43.02 40.48 3kps s PHE 204 CO 0.24 -0.93 0.73 -1.25 0.70 0.00 0.00 175.22 174.71 3kps s PRO 205 N 0.96 4.29 0.00 0.24 0.04 -1.26 -5.10 135.00 134.17 3kps s PRO 205 Ca 0.11 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3kps s PRO 205 Cb -0.19 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3kps s PRO 205 CO -0.10 0.43 0.00 -1.13 0.04 0.00 0.00 177.00 176.23