#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 0.44 -2.82 4.61 0.00 -1.26 -5.12 120.51 116.36 2k46 n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2k46 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k46 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k46 n MET 3 N -3.38 -2.92 -0.81 0.00 2.00 -1.26 -4.96 117.12 105.80 2k46 n MET 3 Ca 0.00 2.43 -0.30 0.00 0.00 0.00 0.00 57.70 59.83 2k46 n MET 3 Cb 0.00 -4.89 0.18 0.00 0.00 0.00 0.00 33.22 28.51 2k46 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k46 s SER 4 N -1.75 2.65 0.00 7.83 0.01 -1.26 -4.87 113.70 116.31 2k46 s SER 4 Ca 0.06 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2k46 s SER 4 Cb -0.01 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2k46 s SER 4 CO 0.70 -3.21 0.00 0.61 0.41 0.00 0.00 173.24 171.75 2k46 n GLY 5 N -0.03 0.70 0.13 3.44 0.00 -1.26 -5.04 105.19 103.13 2k46 n GLY 5 Ca 0.08 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 0.68 -2.41 0.99 5.85 -1.90 -3.22 115.31 115.30 2k46 h LEU 6 Ca 0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.80 2k46 h LEU 6 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 2k46 h LEU 6 CO 0.00 1.59 0.19 0.00 -0.34 0.00 0.00 178.44 179.88 2k46 h ALA 7 N 0.11 1.30 0.00 1.25 0.00 -1.76 0.28 119.26 120.45 2k46 h ALA 7 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k46 h ALA 7 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2k46 h ALA 7 CO 0.22 -0.21 0.00 0.22 0.00 0.00 0.00 179.25 179.48 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.91 -3.09 116.42 115.01 2k46 h ASP 8 Ca 0.02 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 2k46 h ASP 8 Cb 0.40 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 2k46 h ASP 8 CO -0.00 0.00 -1.86 0.29 -2.88 0.00 0.00 179.24 174.79 2k46 n LYS 9 N -2.83 1.63 -1.41 0.28 5.02 0.06 -5.02 118.16 115.89 2k46 n LYS 9 Ca 0.00 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2k46 n LYS 9 Cb 0.24 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2k46 n VAL 10 N -2.41 1.51 0.00 -0.18 3.14 -1.07 -2.74 118.33 116.57 2k46 n VAL 10 Ca -0.18 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 2k46 n VAL 10 Cb 0.84 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -0.87 0.00 -3.55 1.55 -5.35 -1.16 -4.85 119.36 105.13 2k46 n ILE 11 Ca 0.12 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2k46 n ILE 11 Cb 0.39 -0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.23 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.40 -0.54 -0.05 4.28 -0.00 -1.15 -5.09 118.94 115.99 2k46 s TRP 12 Ca 0.00 1.03 -0.06 0.00 -0.00 0.00 0.00 56.10 57.07 2k46 s TRP 12 Cb 0.00 0.33 0.01 0.00 -0.00 0.00 0.00 33.47 33.81 2k46 s TRP 12 CO 0.00 -0.27 0.16 0.00 -0.00 0.00 0.00 176.95 176.84 2k46 s ALA 13 N 1.70 -0.38 -0.12 5.86 0.00 -1.26 -0.84 121.76 126.71 2k46 s ALA 13 Ca -0.07 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2k46 s ALA 13 Cb -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2k46 s ALA 13 CO -0.15 -0.09 0.27 0.08 0.00 0.00 0.00 175.76 175.87 2k46 s VAL 14 N -0.07 -0.19 -0.45 0.00 1.01 0.45 -2.24 120.40 118.91 2k46 s VAL 14 Ca -0.02 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2k46 s VAL 14 Cb -0.02 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 36.05 2k46 s VAL 14 CO 0.00 0.08 0.21 0.21 0.00 0.00 0.00 175.10 175.60 2k46 s ASN 15 N 1.72 4.88 -0.16 3.32 3.84 -1.26 0.32 114.94 127.61 2k46 s ASN 15 Ca -0.05 -2.44 -0.29 0.00 0.21 0.00 0.00 52.86 50.29 2k46 s ASN 15 Cb -0.11 -1.73 -0.05 0.00 -0.55 0.00 0.00 41.25 38.82 2k46 s ASN 15 CO -0.09 -0.39 1.83 0.00 -2.79 0.00 0.00 177.10 175.66 2k46 s ALA 16 N 0.53 3.23 0.00 1.71 0.00 0.44 -3.87 121.76 123.80 2k46 s ALA 16 Ca 0.13 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2k46 s ALA 16 Cb -0.22 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2k46 s ALA 16 CO -0.04 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.08 2k46 n GLY 17 N 4.87 0.30 0.00 0.00 0.00 -1.24 -3.02 105.19 106.10 2k46 n GLY 17 Ca 0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.48 3.39 -0.02 0.00 -1.25 -3.92 105.19 104.87 2k46 n GLY 18 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 3.09 0.41 0.00 1.61 2.12 -1.26 -4.43 118.70 120.23 2k46 s GLU 19 Ca 0.00 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.50 2k46 s GLU 19 Cb 0.00 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.89 2k46 s GLU 19 CO 0.00 -0.23 0.00 0.45 -0.54 0.00 0.00 175.26 174.94 2k46 n SER 20 N 5.38 0.00 -4.04 -1.70 2.88 -1.25 -4.87 113.62 110.02 2k46 n SER 20 Ca -0.10 0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 2k46 n SER 20 Cb 0.49 -0.31 -0.11 0.00 -0.75 0.00 0.00 64.21 63.54 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2k46 s HIS 21 N 0.00 0.52 -0.33 0.66 2.46 -0.89 -4.93 115.29 112.78 2k46 s HIS 21 Ca 0.00 -0.57 -0.02 0.00 0.47 0.00 0.00 55.06 54.94 2k46 s HIS 21 Cb 0.00 -0.33 0.07 0.00 -0.13 0.00 0.00 32.58 32.19 2k46 s HIS 21 CO 0.00 -0.15 0.07 0.08 -2.47 0.00 0.00 174.74 172.27 2k46 s VAL 22 N -1.69 3.12 0.62 0.89 1.01 -1.26 -0.42 120.40 122.66 2k46 s VAL 22 Ca -0.10 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.15 2k46 s VAL 22 Cb -0.08 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2k46 s VAL 22 CO -0.01 -0.29 1.10 1.51 0.00 0.00 0.00 175.10 177.41 2k46 s ASP 23 N 1.41 5.42 0.21 3.32 -4.77 0.49 -4.84 116.67 117.92 2k46 s ASP 23 Ca -0.01 1.98 -0.18 0.00 -3.30 0.00 0.00 52.55 51.04 2k46 s ASP 23 Cb -0.20 -2.55 0.20 0.00 -1.09 0.00 0.00 42.92 39.27 2k46 s ASP 23 CO -0.02 -1.42 1.58 -0.37 0.70 0.00 0.00 175.17 175.65 2k46 h VAL 24 N 0.37 0.15 0.00 2.11 -1.51 -1.95 0.84 116.25 116.27 2k46 h VAL 24 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k46 h VAL 24 Cb 1.24 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2k46 h VAL 24 CO 0.56 0.00 0.21 0.45 -1.23 0.00 0.00 177.57 177.55 2k46 h HIS 25 N -0.09 0.00 0.00 5.19 3.86 -1.97 -3.44 115.15 118.70 2k46 h HIS 25 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k46 h HIS 25 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2k46 h HIS 25 CO -0.68 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.52 2k46 n GLY 26 N -1.17 1.50 3.53 2.45 0.00 0.29 -3.99 105.19 107.80 2k46 n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.87 -0.19 -0.61 -1.09 -1.10 -4.34 121.20 116.74 2k46 s ILE 27 Ca 0.00 0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.36 2k46 s ILE 27 Cb 0.00 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2k46 s ILE 27 CO 0.00 0.30 0.07 -2.28 -1.23 0.00 0.00 174.94 171.80 2k46 s HIS 28 N 1.63 3.25 -0.12 3.97 5.65 -1.26 -0.38 115.29 128.03 2k46 s HIS 28 Ca 0.07 0.06 -0.07 0.00 0.25 0.00 0.00 55.06 55.37 2k46 s HIS 28 Cb -0.15 -2.10 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 2k46 s HIS 28 CO 0.07 0.13 0.12 -0.47 -0.65 0.00 0.00 174.74 173.94 2k46 s TYR 29 N 0.47 3.54 -0.21 3.88 5.04 0.44 -4.14 117.35 126.37 2k46 s TYR 29 Ca 0.04 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 55.06 2k46 s TYR 29 Cb -0.13 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 2k46 s TYR 29 CO 0.01 0.68 0.08 -0.98 -1.34 0.00 0.00 175.55 174.00 2k46 s ARG 30 N -0.94 3.89 0.00 4.97 1.70 -0.95 -2.09 118.95 125.54 2k46 s ARG 30 Ca 0.14 -0.37 -0.00 0.00 -0.47 0.00 0.00 55.73 55.02 2k46 s ARG 30 Cb -0.12 -3.30 -0.00 0.00 -0.57 0.00 0.00 34.95 30.95 2k46 s ARG 30 CO 0.03 0.09 0.01 1.17 -1.08 0.00 0.00 175.30 175.52 2k46 n LYS 31 N 4.10 0.00 -0.59 3.89 0.00 -1.26 -4.28 118.16 120.03 2k46 n LYS 31 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.05 2k46 n LYS 31 Cb 0.52 -0.02 -0.08 0.00 0.00 0.00 0.00 35.03 35.45 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k46 n ASP 32 N 0.03 -0.43 -0.93 3.14 8.00 -1.26 -4.77 116.55 120.33 2k46 n ASP 32 Ca 0.00 -0.16 0.11 0.00 0.71 0.00 0.00 54.79 55.45 2k46 n ASP 32 Cb 0.00 -0.24 0.13 0.00 -0.02 0.00 0.00 41.12 40.99 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k46 n PRO 33 N 2.41 2.13 -0.03 -0.24 -0.04 -1.26 -3.86 135.00 134.11 2k46 n PRO 33 Ca 0.27 -1.93 -0.03 0.00 -0.04 0.00 0.00 63.50 61.77 2k46 n PRO 33 Cb 0.05 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2k46 n PRO 33 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k46 n LEU 34 N 1.25 0.00 -4.01 1.53 0.00 -1.26 -4.15 117.00 110.36 2k46 n LEU 34 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.74 2k46 n LEU 34 Cb 0.55 0.14 -0.01 0.00 0.00 0.00 0.00 43.42 44.10 2k46 n LEU 34 CO 0.14 0.14 2.38 -0.62 0.00 0.00 0.00 177.39 179.43 2k46 n GLU 35 N -2.20 2.79 -0.84 1.96 4.71 -1.26 -4.04 120.64 121.76 2k46 n GLU 35 Ca -0.09 -2.74 0.00 0.00 -0.01 0.00 0.00 57.16 54.32 2k46 n GLU 35 Cb 0.67 -3.34 0.00 0.00 -1.01 0.00 0.00 31.44 27.76 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k46 n GLY 36 N 4.59 0.76 3.89 0.62 0.00 -1.26 -3.93 105.19 109.86 2k46 n GLY 36 Ca 0.51 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 -0.84 -3.82 1.61 0.00 -1.26 -4.98 116.66 105.37 2k46 n ARG 37 Ca 0.00 0.41 -0.12 0.00 -0.00 0.00 0.00 57.85 58.13 2k46 n ARG 37 Cb 0.00 -2.77 -0.10 0.00 -0.00 0.00 0.00 32.46 29.59 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k46 s VAL 38 N -3.32 0.05 -0.12 8.89 0.11 -1.25 -5.00 120.40 119.77 2k46 s VAL 38 Ca 0.31 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2k46 s VAL 38 Cb -0.16 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 2k46 s VAL 38 CO 0.93 -0.23 2.02 -0.83 -3.33 0.00 0.00 175.10 173.65 2k46 s GLY 39 N -0.89 1.00 0.00 6.54 0.00 -1.26 -4.67 107.32 108.04 2k46 s GLY 39 Ca -0.10 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2k46 s GLY 39 CO 0.02 3.54 0.00 0.54 0.00 0.00 0.00 173.10 177.20 2k46 n ARG 40 N 8.09 0.00 -2.76 2.90 1.74 -1.26 -5.13 116.66 120.24 2k46 n ARG 40 Ca 0.24 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2k46 n ARG 40 Cb 0.43 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.87 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k46 n ALA 41 N -1.60 -3.34 -3.02 7.54 0.00 -1.26 -4.89 120.51 113.94 2k46 n ALA 41 Ca 0.00 0.57 -0.45 0.00 0.00 0.00 0.00 53.44 53.56 2k46 n ALA 41 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 2k46 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k46 s SER 42 N -1.50 6.69 -0.82 0.00 0.15 -1.26 -4.97 113.70 111.99 2k46 s SER 42 Ca -0.02 -2.25 -0.25 0.00 0.70 0.00 0.00 55.95 54.13 2k46 s SER 42 Cb 0.00 -2.36 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2k46 s SER 42 CO 0.70 -0.93 1.66 1.51 1.20 0.00 0.00 173.24 177.38 2k46 s ASP 43 N 3.25 5.72 0.00 5.45 -4.77 -1.26 -4.37 116.67 120.69 2k46 s ASP 43 Ca 0.30 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 2k46 s ASP 43 Cb -0.06 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2k46 s ASP 43 CO -0.09 -2.16 0.00 0.00 0.70 0.00 0.00 175.17 173.62 2k46 n TYR 44 N 11.44 0.00 0.76 2.11 4.19 -1.26 -4.65 117.16 129.75 2k46 n TYR 44 Ca 0.25 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.46 2k46 n TYR 44 Cb 0.50 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.33 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k46 n GLY 45 N 2.34 1.27 0.06 2.98 0.00 -1.26 -3.86 105.19 106.71 2k46 n GLY 45 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k46 n MET 46 N 0.29 0.07 -0.32 1.61 1.56 -1.26 -1.59 117.12 117.48 2k46 n MET 46 Ca 0.00 0.41 0.04 0.00 -0.27 0.00 0.00 57.70 57.88 2k46 n MET 46 Cb 0.25 -1.66 0.17 0.00 2.15 0.00 0.00 33.22 34.13 2k46 n MET 46 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 2k46 n LYS 47 N -1.80 2.41 -3.21 2.12 2.85 -1.25 -4.27 118.16 115.01 2k46 n LYS 47 Ca 0.02 -1.35 -0.25 0.00 -1.05 0.00 0.00 58.31 55.68 2k46 n LYS 47 Cb 0.12 -1.63 -0.06 0.00 -0.65 0.00 0.00 35.03 32.81 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k46 n LEU 48 N 0.36 2.77 -4.66 -5.58 4.77 -0.62 -5.10 117.00 108.93 2k46 n LEU 48 Ca 0.12 -5.29 -0.45 0.00 -0.03 0.00 0.00 56.01 50.36 2k46 n LEU 48 Cb 0.53 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2k46 n LEU 48 CO 0.12 2.18 0.97 -2.65 -1.33 0.00 0.00 177.39 176.68 2k46 n PRO 49 N 0.58 1.93 -2.26 3.23 -0.02 -1.26 -4.95 135.00 132.25 2k46 n PRO 49 Ca 0.28 0.69 -0.36 0.00 -2.02 0.00 0.00 63.50 62.08 2k46 n PRO 49 Cb 0.47 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2k46 n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 50 N -0.12 3.14 -0.21 4.25 1.09 -1.26 -4.85 121.20 123.24 2k46 s ILE 50 Ca 0.68 0.78 0.04 0.00 -1.10 0.00 0.00 60.65 61.06 2k46 s ILE 50 Cb -0.67 -3.36 -0.21 0.00 -1.06 0.00 0.00 42.46 37.16 2k46 s ILE 50 CO 0.50 -0.08 -0.00 0.18 -0.10 0.00 0.00 174.94 175.44 2k46 n LEU 51 N -0.87 2.22 -1.55 2.97 4.32 -1.26 -4.44 117.00 118.39 2k46 n LEU 51 Ca 0.09 -0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 56.03 2k46 n LEU 51 Cb 0.49 -0.61 0.01 0.00 -1.62 0.00 0.00 43.42 41.69 2k46 n LEU 51 CO 0.45 0.81 1.01 0.54 -1.22 0.00 0.00 177.39 178.97 2k46 n ARG 52 N -3.19 1.19 -3.84 3.23 3.00 -1.26 -4.83 116.66 110.96 2k46 n ARG 52 Ca -0.39 -0.38 -0.09 0.00 -0.01 0.00 0.00 57.85 56.97 2k46 n ARG 52 Cb 1.04 -1.15 -0.05 0.00 0.00 0.00 0.00 32.46 32.30 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k46 s SER 53 N 1.46 -0.16 0.40 0.55 0.15 -1.26 -4.86 113.70 109.98 2k46 s SER 53 Ca 0.08 -0.65 -0.24 0.00 0.70 0.00 0.00 55.95 55.84 2k46 s SER 53 Cb 0.06 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.83 2k46 s SER 53 CO 0.00 -1.04 1.01 0.21 1.20 0.00 0.00 173.24 174.62 2k46 s ASN 54 N -2.92 6.85 0.21 5.45 2.47 -1.26 -4.77 114.94 120.96 2k46 s ASN 54 Ca 0.13 1.94 -0.21 0.00 0.42 0.00 0.00 52.86 55.14 2k46 s ASN 54 Cb -0.00 -2.58 0.15 0.00 -1.45 0.00 0.00 41.25 37.38 2k46 s ASN 54 CO 0.00 -0.43 1.55 -0.65 -3.72 0.00 0.00 177.10 173.86 2k46 h PRO 55 N 2.44 -0.02 0.53 0.43 0.11 -1.97 1.81 132.00 135.34 2k46 h PRO 55 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2k46 h PRO 55 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2k46 h PRO 55 CO 0.62 -0.01 -0.26 0.93 -0.21 0.00 0.00 178.00 179.07 2k46 h GLU 56 N -0.02 -0.69 0.00 1.05 4.39 -1.97 -2.31 114.58 115.03 2k46 h GLU 56 Ca 0.29 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2k46 h GLU 56 Cb 0.55 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2k46 h GLU 56 CO -0.96 -0.39 0.00 -3.47 -1.16 0.00 0.00 179.01 173.04 2k46 n ASP 57 N -5.32 0.00 0.08 1.42 2.03 -0.87 -2.34 116.55 111.55 2k46 n ASP 57 Ca -0.11 -0.27 -0.09 0.00 0.52 0.00 0.00 54.79 54.83 2k46 n ASP 57 Cb 0.33 -0.13 -0.06 0.00 -0.72 0.00 0.00 41.12 40.54 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 -0.27 -0.89 -0.67 4.15 0.33 0.16 115.11 117.92 2k46 h GLN 58 Ca 0.00 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.63 2k46 h GLN 58 Cb 0.07 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.75 2k46 h GLN 58 CO 0.00 0.08 0.59 -0.24 -1.93 0.00 0.00 178.83 177.32 2k46 h VAL 59 N -0.95 0.71 0.09 2.39 3.04 -1.28 0.14 116.25 120.39 2k46 h VAL 59 Ca -0.03 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2k46 h VAL 59 Cb 0.47 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 2k46 h VAL 59 CO 0.05 0.09 -0.04 0.25 -1.01 0.00 0.00 177.57 176.90 2k46 h LEU 60 N 0.47 -0.10 0.00 3.16 6.46 -1.43 -2.68 115.31 121.18 2k46 h LEU 60 Ca 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 2k46 h LEU 60 Cb 1.06 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2k46 h LEU 60 CO -0.19 -0.06 0.05 -1.22 -0.62 0.00 0.00 178.44 176.41 2k46 n TYR 61 N -2.40 0.00 0.00 1.25 4.02 0.54 -4.09 117.16 116.48 2k46 n TYR 61 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2k46 n TYR 61 Cb 0.05 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.02 0.00 -0.74 -0.72 7.27 0.44 -4.61 117.38 118.00 2k46 n GLN 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2k46 n GLN 62 Cb 0.05 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.70 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 0.00 -4.38 1.69 -2.24 -1.03 -4.52 114.28 103.80 2k46 n THR 63 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2k46 n THR 63 Cb 0.00 -0.17 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k46 s GLU 64 N -0.15 1.09 0.12 -0.78 4.04 -1.25 -3.67 118.70 118.09 2k46 s GLU 64 Ca 0.00 -0.96 0.02 0.00 0.04 0.00 0.00 54.97 54.08 2k46 s GLU 64 Cb 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 34.13 32.94 2k46 s GLU 64 CO 0.00 0.29 0.08 2.89 -1.84 0.00 0.00 175.26 176.68 2k46 n ARG 65 N 1.55 0.37 -1.48 -4.83 1.85 -1.25 -4.28 116.66 108.58 2k46 n ARG 65 Ca -0.19 -1.13 -0.39 0.00 -1.00 0.00 0.00 57.85 55.14 2k46 n ARG 65 Cb 0.54 0.82 0.03 0.00 -1.05 0.00 0.00 32.46 32.80 2k46 n ARG 65 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2k46 n TYR 66 N -0.25 -0.47 -4.40 2.89 4.02 -1.26 -4.92 117.16 112.77 2k46 n TYR 66 Ca 0.01 0.47 -0.23 0.00 -0.01 0.00 0.00 57.90 58.14 2k46 n TYR 66 Cb 0.20 -1.99 -0.08 0.00 -0.02 0.00 0.00 39.34 37.46 2k46 n TYR 66 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2k46 n ASN 67 N 0.55 0.23 0.00 7.72 4.13 -1.26 -5.01 115.26 121.63 2k46 n ASN 67 Ca 0.12 -3.23 0.00 0.00 1.68 0.00 0.00 54.58 53.15 2k46 n ASN 67 Cb 0.46 1.39 0.00 0.00 -1.54 0.00 0.00 39.78 40.09 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2k46 n GLU 68 N -0.79 0.00 -3.68 3.52 4.07 -1.26 -5.06 120.64 117.44 2k46 n GLU 68 Ca 0.01 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.02 2k46 n GLU 68 Cb 0.62 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.90 2k46 n GLU 68 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2k46 s ASP 69 N 1.83 -0.59 -0.25 4.31 1.01 -1.26 -4.15 116.67 117.57 2k46 s ASP 69 Ca 0.00 1.03 -0.01 0.00 0.71 0.00 0.00 52.55 54.28 2k46 s ASP 69 Cb 0.00 0.94 0.00 0.00 1.01 0.00 0.00 42.92 44.87 2k46 s ASP 69 CO 0.00 -0.20 0.02 -0.24 0.21 0.00 0.00 175.17 174.96 2k46 n SER 70 N 4.35 -7.13 -3.60 0.27 2.88 -1.25 -4.98 113.62 104.17 2k46 n SER 70 Ca -0.22 1.27 -0.08 0.00 -1.33 0.00 0.00 58.87 58.52 2k46 n SER 70 Cb 0.56 -4.72 -0.02 0.00 -0.75 0.00 0.00 64.21 59.28 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -1.43 -0.32 0.07 0.66 -0.71 -1.11 -5.00 117.98 110.15 2k46 s PHE 71 Ca -0.03 0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.84 2k46 s PHE 71 Cb 0.00 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.44 2k46 s PHE 71 CO 0.66 -0.79 0.46 0.41 -1.34 0.00 0.00 175.22 174.62 2k46 n GLY 72 N -0.37 0.94 3.81 1.99 0.00 -1.26 -2.63 105.19 107.67 2k46 n GLY 72 Ca -0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -4.14 2.80 -0.12 1.61 1.51 -1.01 -4.96 117.35 113.04 2k46 s TYR 73 Ca 0.10 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 2k46 s TYR 73 Cb -0.01 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2k46 s TYR 73 CO 0.02 0.20 -0.22 0.16 -1.11 0.00 0.00 175.55 174.60 2k46 s ASP 74 N -3.96 3.00 -0.59 2.29 -4.77 -1.26 -2.43 116.67 108.95 2k46 s ASP 74 Ca 0.41 -0.56 0.03 0.00 -3.30 0.00 0.00 52.55 49.12 2k46 s ASP 74 Cb -0.04 -1.38 0.15 0.00 -1.09 0.00 0.00 42.92 40.56 2k46 s ASP 74 CO 0.25 0.10 0.36 -0.63 0.70 0.00 0.00 175.17 175.95 2k46 s ILE 75 N 0.66 2.91 0.24 2.11 1.09 0.28 -4.92 121.20 123.57 2k46 s ILE 75 Ca -0.11 -3.51 -0.31 0.00 -1.10 0.00 0.00 60.65 55.62 2k46 s ILE 75 Cb -0.16 -2.96 -0.13 0.00 -1.06 0.00 0.00 42.46 38.15 2k46 s ILE 75 CO 0.02 -0.87 1.54 -2.65 -0.10 0.00 0.00 174.94 172.88 2k46 n PRO 76 N 2.88 2.37 -4.34 2.79 -0.02 -1.26 -0.36 135.00 137.06 2k46 n PRO 76 Ca 0.09 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.19 2k46 n PRO 76 Cb 0.34 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.12 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 0.25 1.90 0.00 4.25 1.01 -1.16 -4.90 121.20 122.55 2k46 s ILE 77 Ca 0.69 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 59.48 2k46 s ILE 77 Cb -0.58 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2k46 s ILE 77 CO 0.45 -0.22 0.05 0.29 0.00 0.00 0.00 174.94 175.51 2k46 n LYS 78 N 0.46 0.00 -4.43 2.79 5.02 -1.26 -4.87 118.16 115.87 2k46 n LYS 78 Ca -0.14 -0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 2k46 n LYS 78 Cb 0.56 -0.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.99 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N 0.00 1.62 0.46 1.97 0.41 -1.26 -5.17 118.70 116.73 2k46 s GLU 79 Ca 0.00 -1.90 0.03 0.00 -0.41 0.00 0.00 54.97 52.69 2k46 s GLU 79 Cb 0.00 -0.74 -0.03 0.00 -1.78 0.00 0.00 34.13 31.59 2k46 s GLU 79 CO 0.00 -0.22 0.04 -1.21 -0.49 0.00 0.00 175.26 173.37 2k46 s GLU 80 N -3.91 2.07 0.00 1.61 8.01 -1.26 -5.02 118.70 120.19 2k46 s GLU 80 Ca 0.36 -2.28 0.00 0.00 0.01 0.00 0.00 54.97 53.06 2k46 s GLU 80 Cb 0.08 -1.27 0.00 0.00 -4.31 0.00 0.00 34.13 28.64 2k46 s GLU 80 CO 0.15 -0.35 0.00 0.41 0.01 0.00 0.00 175.26 175.48 2k46 n GLY 81 N -1.11 0.61 3.39 -1.39 0.00 -0.84 -4.85 105.19 101.01 2k46 n GLY 81 Ca -0.13 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.24 2.87 -0.19 1.61 2.02 -1.13 -1.85 118.70 120.80 2k46 s GLU 82 Ca 0.00 -1.16 -0.15 0.00 0.02 0.00 0.00 54.97 53.68 2k46 s GLU 82 Cb 0.00 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2k46 s GLU 82 CO 0.00 -0.81 0.36 0.71 0.02 0.00 0.00 175.26 175.54 2k46 s TYR 83 N 1.59 3.40 -0.23 1.61 1.51 -0.52 -0.03 117.35 124.69 2k46 s TYR 83 Ca 0.03 0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 56.67 2k46 s TYR 83 Cb -0.21 -2.46 0.01 0.00 -0.11 0.00 0.00 41.96 39.19 2k46 s TYR 83 CO 0.07 0.08 -0.06 0.08 -1.11 0.00 0.00 175.55 174.61 2k46 s VAL 84 N 1.01 3.11 -0.51 0.71 1.01 -1.02 -0.23 120.40 124.48 2k46 s VAL 84 Ca 0.18 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2k46 s VAL 84 Cb -0.14 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.84 2k46 s VAL 84 CO 0.07 0.36 0.65 -0.22 0.00 0.00 0.00 175.10 175.96 2k46 s LEU 85 N 1.42 4.92 -0.19 3.92 2.96 -1.10 -2.66 118.68 127.95 2k46 s LEU 85 Ca 0.04 -0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 53.02 2k46 s LEU 85 Cb -0.15 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2k46 s LEU 85 CO -0.05 -0.92 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.36 2k46 s VAL 86 N 2.71 3.94 -0.11 1.68 1.01 -0.62 -2.37 120.40 126.65 2k46 s VAL 86 Ca 0.16 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2k46 s VAL 86 Cb -0.19 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.46 2k46 s VAL 86 CO 0.12 0.45 0.26 -1.48 0.00 0.00 0.00 175.10 174.45 2k46 s LEU 87 N 0.78 0.67 -0.27 3.92 2.34 -1.09 -0.87 118.68 124.16 2k46 s LEU 87 Ca -0.00 0.55 -0.13 0.00 0.06 0.00 0.00 54.13 54.61 2k46 s LEU 87 Cb -0.14 0.85 -0.04 0.00 -0.56 0.00 0.00 46.19 46.29 2k46 s LEU 87 CO 0.02 -0.13 0.27 -0.75 -1.06 0.00 0.00 176.35 174.70 2k46 s LYS 88 N 0.72 4.00 -0.12 1.48 2.47 -1.17 -2.50 119.74 124.61 2k46 s LYS 88 Ca -0.05 -0.15 -0.04 0.00 -1.56 0.00 0.00 55.97 54.17 2k46 s LYS 88 Cb -0.06 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 2k46 s LYS 88 CO -0.04 -0.19 0.04 -0.06 0.16 0.00 0.00 175.35 175.25 2k46 s PHE 89 N 1.79 3.25 0.25 4.03 0.08 -0.59 -0.77 117.98 126.02 2k46 s PHE 89 Ca 0.11 0.18 -0.06 0.00 0.12 0.00 0.00 56.93 57.28 2k46 s PHE 89 Cb -0.16 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 2k46 s PHE 89 CO 0.10 0.39 0.33 0.00 -0.10 0.00 0.00 175.22 175.94 2k46 s ALA 90 N -0.48 0.58 0.38 5.36 0.00 -1.15 -0.89 121.76 125.56 2k46 s ALA 90 Ca 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2k46 s ALA 90 Cb -0.12 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.23 2k46 s ALA 90 CO 0.02 -0.73 0.00 0.39 0.00 0.00 0.00 175.76 175.44 2k46 n GLU 91 N -0.38 -2.95 0.00 0.00 -0.58 -1.26 -2.23 120.64 113.23 2k46 n GLU 91 Ca 0.01 2.03 0.00 0.00 -0.42 0.00 0.00 57.16 58.78 2k46 n GLU 91 Cb 0.63 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.92 2k46 n GLU 91 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2k46 n VAL 92 N -4.23 0.00 0.00 2.62 3.14 -1.26 -4.72 118.33 113.88 2k46 n VAL 92 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2k46 n VAL 92 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 2k46 n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k46 n TYR 93 N 0.00 0.00 -3.27 1.45 4.19 -1.26 -4.83 117.16 113.43 2k46 n TYR 93 Ca 0.00 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.82 2k46 n TYR 93 Cb 0.00 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.77 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2k46 s PHE 94 N 0.00 3.77 -0.66 2.98 0.08 -1.26 -5.03 117.98 117.86 2k46 s PHE 94 Ca 0.00 1.23 -0.21 0.00 0.12 0.00 0.00 56.93 58.08 2k46 s PHE 94 Cb 0.00 -2.51 0.09 0.00 -0.57 0.00 0.00 43.02 40.03 2k46 s PHE 94 CO 0.00 0.53 0.87 0.00 -0.10 0.00 0.00 175.22 176.52 2k46 s ALA 95 N -0.87 3.26 -0.01 5.36 0.00 -1.26 -5.00 121.76 123.25 2k46 s ALA 95 Ca 0.29 -2.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 2k46 s ALA 95 Cb -0.19 -3.74 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 2k46 s ALA 95 CO 0.18 -2.62 0.06 -0.65 0.00 0.00 0.00 175.76 172.73 2k46 s GLN 96 N 3.37 0.24 -0.07 0.00 -0.21 -1.26 -5.15 119.66 116.57 2k46 s GLN 96 Ca 0.19 -0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.40 2k46 s GLN 96 Cb -0.19 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.91 2k46 s GLN 96 CO 0.07 -0.04 -0.23 -1.12 -2.12 0.00 0.00 175.29 171.84 2k46 s SER 97 N -0.71 3.22 0.00 5.90 0.01 -1.26 -4.23 113.70 116.62 2k46 s SER 97 Ca -0.08 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2k46 s SER 97 Cb -0.05 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2k46 s SER 97 CO 0.00 0.23 0.00 0.00 0.41 0.00 0.00 173.24 173.88 2k46 n GLN 98 N 3.04 0.00 -0.36 12.44 1.13 -1.26 -4.46 117.38 127.91 2k46 n GLN 98 Ca -0.18 0.00 0.26 0.00 -1.94 0.00 0.00 57.00 55.14 2k46 n GLN 98 Cb 0.52 0.00 0.51 0.00 0.11 0.00 0.00 30.24 31.38 2k46 n GLN 98 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2k46 h GLN 99 N 0.00 0.30 -3.58 -1.09 5.75 -2.03 -2.96 115.11 111.50 2k46 h GLN 99 Ca 0.00 -0.02 -0.78 0.00 -0.15 0.00 0.00 58.65 57.70 2k46 h GLN 99 Cb 0.00 -0.07 -0.29 0.00 1.07 0.00 0.00 27.48 28.19 2k46 h GLN 99 CO 0.00 0.20 0.28 0.21 -2.65 0.00 0.00 178.83 176.87 2k46 s LYS 100 N -5.55 3.90 -0.06 1.69 2.20 -1.26 -4.95 119.74 115.71 2k46 s LYS 100 Ca -0.09 -3.06 0.03 0.00 -0.36 0.00 0.00 55.97 52.49 2k46 s LYS 100 Cb 0.29 -4.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 2k46 s LYS 100 CO 0.80 -1.25 -0.12 0.54 -0.36 0.00 0.00 175.35 174.96 2k46 s VAL 101 N -0.96 3.30 0.49 4.02 0.11 -1.12 -4.22 120.40 122.02 2k46 s VAL 101 Ca 0.27 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2k46 s VAL 101 Cb -0.10 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2k46 s VAL 101 CO -0.09 0.59 0.01 -0.36 -3.33 0.00 0.00 175.10 171.92 2k46 s PHE 102 N -0.75 1.98 -0.01 1.54 0.08 -0.89 -4.10 117.98 115.84 2k46 s PHE 102 Ca 0.12 -0.90 0.05 0.00 0.12 0.00 0.00 56.93 56.32 2k46 s PHE 102 Cb -0.11 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k46 s PHE 102 CO 0.01 0.27 -0.17 0.34 -0.10 0.00 0.00 175.22 175.57 2k46 s ASP 103 N -3.85 1.97 -0.02 1.36 -1.08 -1.11 -0.45 116.67 113.48 2k46 s ASP 103 Ca 0.11 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 2k46 s ASP 103 Cb 0.03 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.28 2k46 s ASP 103 CO 0.06 0.20 -0.08 -0.69 0.52 0.00 0.00 175.17 175.17 2k46 s VAL 104 N -0.43 0.72 0.08 1.11 1.01 -0.43 -2.09 120.40 120.38 2k46 s VAL 104 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2k46 s VAL 104 Cb -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2k46 s VAL 104 CO -0.00 0.22 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 2k46 s ARG 105 N 0.15 0.75 -0.14 2.72 0.52 0.20 -1.76 118.95 121.39 2k46 s ARG 105 Ca -0.02 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.05 2k46 s ARG 105 Cb -0.08 -0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.14 2k46 s ARG 105 CO 0.00 0.01 -0.18 0.08 0.02 0.00 0.00 175.30 175.24 2k46 s VAL 106 N -2.86 1.75 -1.34 3.52 1.01 0.77 -2.06 120.40 121.19 2k46 s VAL 106 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2k46 s VAL 106 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2k46 s VAL 106 CO -0.03 0.49 0.00 -0.46 0.00 0.00 0.00 175.10 175.10 2k46 n ASN 107 N 4.35 -4.13 0.00 3.32 0.23 0.12 0.18 115.26 119.33 2k46 n ASN 107 Ca -0.19 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2k46 n ASN 107 Cb 0.51 -3.61 0.00 0.00 -2.08 0.00 0.00 39.78 34.60 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k46 n GLY 108 N -0.62 0.67 3.24 4.83 0.00 -1.22 -4.84 105.19 107.25 2k46 n GLY 108 Ca -0.16 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.17 0.13 1.61 4.02 0.13 -5.02 115.29 117.32 2k46 s HIS 109 Ca 0.00 -1.47 -0.31 0.00 1.02 0.00 0.00 55.06 54.30 2k46 s HIS 109 Cb 0.00 -2.16 -0.10 0.00 -1.02 0.00 0.00 32.58 29.30 2k46 s HIS 109 CO 0.00 -0.71 1.69 0.95 1.02 0.00 0.00 174.74 177.69 2k46 s THR 110 N 1.36 2.63 0.00 1.30 -4.23 -1.26 -0.16 115.64 115.29 2k46 s THR 110 Ca -0.01 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2k46 s THR 110 Cb -0.18 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2k46 s THR 110 CO -0.01 0.01 0.00 0.52 -0.54 0.00 0.00 174.62 174.60 2k46 n VAL 111 N 4.42 0.00 -3.62 2.29 0.31 -0.72 -4.91 118.33 116.09 2k46 n VAL 111 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 2k46 n VAL 111 Cb 0.38 -0.79 -0.12 0.00 -0.91 0.00 0.00 33.84 32.40 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -1.80 0.97 -0.97 2.52 1.01 -1.14 -5.03 120.40 115.96 2k46 s VAL 112 Ca 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 61.98 59.61 2k46 s VAL 112 Cb 0.00 -1.68 0.25 0.00 0.00 0.00 0.00 36.38 34.95 2k46 s VAL 112 CO 0.00 -0.95 0.99 2.29 0.00 0.00 0.00 175.10 177.43 2k46 n LYS 113 N 3.61 3.19 0.00 2.72 0.00 -1.26 -1.31 118.16 125.11 2k46 n LYS 113 Ca 0.11 -4.50 0.00 0.00 -0.00 0.00 0.00 58.31 53.92 2k46 n LYS 113 Cb 0.36 -2.46 0.00 0.00 -0.00 0.00 0.00 35.03 32.94 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k46 n ASP 114 N 2.14 0.00 -4.56 -5.58 5.68 0.40 -4.94 116.55 109.69 2k46 n ASP 114 Ca 0.24 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 54.13 2k46 n ASP 114 Cb 0.37 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2k46 s LEU 115 N 0.00 3.43 -0.70 -2.12 2.96 -0.09 -4.61 118.68 117.55 2k46 s LEU 115 Ca 0.00 -1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 52.59 2k46 s LEU 115 Cb 0.00 -2.57 0.18 0.00 0.50 0.00 0.00 46.19 44.31 2k46 s LEU 115 CO 0.00 -1.63 0.58 1.51 -1.32 0.00 0.00 176.35 175.48 2k46 s ASP 116 N 4.98 5.95 0.48 3.68 1.47 -1.26 -2.08 116.67 129.88 2k46 s ASP 116 Ca 0.46 -2.70 0.25 0.00 1.18 0.00 0.00 52.55 51.74 2k46 s ASP 116 Cb -0.02 -2.03 1.30 0.00 -0.34 0.00 0.00 42.92 41.84 2k46 s ASP 116 CO -0.05 -0.49 1.87 0.40 0.68 0.00 0.00 175.17 177.58 2k46 h ILE 117 N 5.13 0.60 0.05 2.11 2.04 -1.91 -1.59 117.51 123.94 2k46 h ILE 117 Ca 0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2k46 h ILE 117 Cb 1.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2k46 h ILE 117 CO 0.75 0.03 -0.02 0.15 0.00 0.00 0.00 178.15 179.06 2k46 h PHE 118 N 0.19 -0.06 -0.05 1.37 3.57 -1.80 -2.84 116.94 117.31 2k46 h PHE 118 Ca 0.46 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2k46 h PHE 118 Cb 1.48 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.24 2k46 h PHE 118 CO -0.00 0.55 0.05 0.22 -2.23 0.00 0.00 178.31 176.90 2k46 h ASP 119 N -0.76 0.00 0.10 0.41 1.82 -1.52 0.32 116.42 116.79 2k46 h ASP 119 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2k46 h ASP 119 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2k46 h ASP 119 CO 0.01 0.00 -0.05 0.03 -1.61 0.00 0.00 179.24 177.62 2k46 h ARG 120 N 0.00 -0.13 0.00 0.28 2.47 -1.34 -3.43 114.38 112.23 2k46 h ARG 120 Ca 0.02 0.01 -0.33 0.00 -1.26 0.00 0.00 59.98 58.43 2k46 h ARG 120 Cb 0.12 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 2k46 h ARG 120 CO -0.00 0.03 -2.23 1.33 0.56 0.00 0.00 179.97 179.67 2k46 n VAL 121 N -4.86 1.23 0.00 2.04 0.24 -1.07 -5.11 118.33 110.80 2k46 n VAL 121 Ca -0.03 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2k46 n VAL 121 Cb 0.11 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.38 0.34 3.60 7.63 0.00 0.11 -4.98 105.19 114.28 2k46 n GLY 122 Ca -0.39 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2k46 n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 123 N 0.00 2.19 0.00 1.61 3.76 -1.26 -4.57 115.29 117.02 2k46 s HIS 123 Ca 0.00 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 2k46 s HIS 123 Cb 0.00 -4.23 0.00 0.00 1.11 0.00 0.00 32.58 29.46 2k46 s HIS 123 CO 0.00 -2.35 0.00 0.43 -0.85 0.00 0.00 174.74 171.97 2k46 n SER 124 N 9.26 0.00 -0.65 1.40 7.64 -1.26 -4.91 113.62 125.10 2k46 n SER 124 Ca 0.19 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.13 2k46 n SER 124 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k46 n THR 125 N 0.00 0.00 -4.88 0.44 -2.24 -1.26 -4.44 114.28 101.90 2k46 n THR 125 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2k46 n THR 125 Cb 0.00 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.59 2.65 0.11 6.98 0.00 -1.26 -4.33 121.76 124.33 2k46 s ALA 126 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2k46 s ALA 126 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2k46 s ALA 126 CO 0.00 0.51 0.03 -1.58 0.00 0.00 0.00 175.76 174.72 2k46 s HIS 127 N -0.56 3.03 -0.01 0.00 2.46 -0.07 -4.93 115.29 115.21 2k46 s HIS 127 Ca 0.08 -0.02 0.01 0.00 0.47 0.00 0.00 55.06 55.60 2k46 s HIS 127 Cb -0.11 -1.53 0.01 0.00 -0.13 0.00 0.00 32.58 30.81 2k46 s HIS 127 CO 0.01 0.50 -0.03 0.16 -2.47 0.00 0.00 174.74 172.91 2k46 s ASP 128 N -2.49 0.50 -0.10 9.88 -4.77 -1.26 -1.54 116.67 116.89 2k46 s ASP 128 Ca 0.27 -0.07 0.01 0.00 -3.30 0.00 0.00 52.55 49.46 2k46 s ASP 128 Cb -0.11 -0.13 0.02 0.00 -1.09 0.00 0.00 42.92 41.60 2k46 s ASP 128 CO 0.20 0.00 -0.11 -1.61 0.70 0.00 0.00 175.17 174.35 2k46 s GLU 129 N 0.27 1.82 -0.15 2.11 8.01 -1.04 -5.02 118.70 124.70 2k46 s GLU 129 Ca -0.03 -0.40 0.02 0.00 0.01 0.00 0.00 54.97 54.57 2k46 s GLU 129 Cb -0.06 -1.67 0.01 0.00 -4.31 0.00 0.00 34.13 28.10 2k46 s GLU 129 CO -0.00 -0.14 -0.20 0.42 0.01 0.00 0.00 175.26 175.35 2k46 s ILE 130 N 1.24 2.21 -0.36 -1.63 1.01 -1.26 -2.68 121.20 119.73 2k46 s ILE 130 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2k46 s ILE 130 Cb -0.14 -1.90 0.12 0.00 0.01 0.00 0.00 42.46 40.54 2k46 s ILE 130 CO -0.04 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 174.97 2k46 s ILE 131 N 0.92 1.03 0.59 2.92 -1.09 -1.00 -5.00 121.20 119.56 2k46 s ILE 131 Ca -0.04 -1.86 -0.20 0.00 -2.23 0.00 0.00 60.65 56.32 2k46 s ILE 131 Cb -0.15 -1.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.94 2k46 s ILE 131 CO -0.04 -0.78 1.27 -2.84 -1.23 0.00 0.00 174.94 171.32 2k46 s PRO 132 N 1.10 2.95 0.04 2.79 0.02 -1.26 -2.71 135.00 137.93 2k46 s PRO 132 Ca 0.13 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.14 2k46 s PRO 132 Cb -0.20 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 2k46 s PRO 132 CO -0.13 -1.27 -0.03 0.42 -0.33 0.00 0.00 177.00 175.65 2k46 s ILE 133 N -1.46 0.22 -0.19 2.83 1.01 0.68 -4.50 121.20 119.78 2k46 s ILE 133 Ca 0.77 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2k46 s ILE 133 Cb -0.35 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.15 2k46 s ILE 133 CO 0.39 -0.79 -0.00 -0.94 0.00 0.00 0.00 174.94 173.60 2k46 s SER 134 N -2.34 3.08 -0.16 3.58 1.04 -1.10 -1.44 113.70 116.37 2k46 s SER 134 Ca -0.02 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 2k46 s SER 134 Cb 0.01 -0.78 -0.02 0.00 0.10 0.00 0.00 66.02 65.33 2k46 s SER 134 CO -0.06 -0.27 -0.08 -0.63 0.98 0.00 0.00 173.24 173.18 2k46 s ILE 135 N 1.71 3.38 -0.13 -1.02 1.01 -0.77 -1.61 121.20 123.78 2k46 s ILE 135 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 2k46 s ILE 135 Cb -0.17 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2k46 s ILE 135 CO -0.07 0.49 0.34 -0.54 0.00 0.00 0.00 174.94 175.16 2k46 s LYS 136 N 0.58 0.37 -0.66 2.79 1.02 -0.87 -1.98 119.74 120.99 2k46 s LYS 136 Ca -0.05 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2k46 s LYS 136 Cb -0.15 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2k46 s LYS 136 CO 0.03 -0.07 0.00 1.63 -0.92 0.00 0.00 175.35 176.02 2k46 n LYS 137 N 3.17 -1.59 -0.22 1.68 5.02 -1.26 -1.23 118.16 123.74 2k46 n LYS 137 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2k46 n LYS 137 Cb 0.57 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k46 n GLY 138 N 0.09 0.82 3.83 0.72 0.00 -1.26 -5.08 105.19 104.31 2k46 n GLY 138 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -0.78 2.55 0.05 1.61 1.02 -0.36 -2.72 119.74 121.10 2k46 s LYS 139 Ca 0.00 -1.47 0.06 0.00 0.02 0.00 0.00 55.97 54.58 2k46 s LYS 139 Cb 0.00 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2k46 s LYS 139 CO 0.00 -0.01 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.08 2k46 s LEU 140 N -4.00 2.19 -0.21 3.17 0.20 0.09 -2.05 118.68 118.08 2k46 s LEU 140 Ca 0.43 -0.52 -0.02 0.00 0.69 0.00 0.00 54.13 54.71 2k46 s LEU 140 Cb -0.03 -0.74 0.06 0.00 -0.43 0.00 0.00 46.19 45.05 2k46 s LEU 140 CO 0.26 0.06 0.01 -0.55 -0.29 0.00 0.00 176.35 175.85 2k46 s SER 141 N -1.29 3.19 -0.32 3.68 0.15 -0.63 -1.52 113.70 116.95 2k46 s SER 141 Ca 0.04 -0.94 -0.06 0.00 0.70 0.00 0.00 55.95 55.68 2k46 s SER 141 Cb -0.09 -0.75 0.03 0.00 -1.71 0.00 0.00 66.02 63.50 2k46 s SER 141 CO 0.02 -0.29 0.09 0.54 1.20 0.00 0.00 173.24 174.79 2k46 s VAL 142 N 1.73 3.76 0.00 4.45 0.11 -0.67 -2.69 120.40 127.09 2k46 s VAL 142 Ca -0.02 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2k46 s VAL 142 Cb -0.18 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2k46 s VAL 142 CO -0.08 -0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 2k46 n GLN 143 N 4.81 0.00 -0.21 1.54 1.13 -1.26 -1.20 117.38 122.18 2k46 n GLN 143 Ca -0.13 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.94 2k46 n GLN 143 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.82 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 -0.19 3.32 1.08 0.00 -1.26 -5.05 105.19 103.09 2k46 n GLY 144 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -0.39 3.17 -0.16 1.61 2.56 -0.34 -5.11 118.70 120.04 2k46 s GLU 145 Ca 0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 54.97 54.18 2k46 s GLU 145 Cb 0.03 -2.48 -0.04 0.00 2.00 0.00 0.00 34.13 33.64 2k46 s GLU 145 CO 0.00 0.24 0.03 0.54 -0.56 0.00 0.00 175.26 175.51 2k46 s VAL 146 N 0.25 4.54 0.31 3.70 0.11 -1.26 -1.67 120.40 126.37 2k46 s VAL 146 Ca -0.12 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 2k46 s VAL 146 Cb -0.16 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2k46 s VAL 146 CO 0.06 0.50 0.48 -0.44 -3.33 0.00 0.00 175.10 172.37 2k46 s SER 147 N 0.12 0.49 -0.12 3.54 0.01 -0.58 -5.04 113.70 112.13 2k46 s SER 147 Ca 0.03 -1.29 -0.08 0.00 1.31 0.00 0.00 55.95 55.93 2k46 s SER 147 Cb -0.13 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 2k46 s SER 147 CO 0.01 -1.25 0.16 0.42 0.41 0.00 0.00 173.24 172.99 2k46 s THR 148 N -3.36 5.47 0.23 1.44 -4.23 -1.26 -0.73 115.64 113.20 2k46 s THR 148 Ca 0.27 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 2k46 s THR 148 Cb -0.00 -3.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 2k46 s THR 148 CO 0.16 0.60 0.99 0.12 -0.54 0.00 0.00 174.62 175.95 2k46 s PHE 149 N -0.88 3.84 -0.32 3.99 5.36 -1.10 -4.76 117.98 124.12 2k46 s PHE 149 Ca 0.15 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 57.93 2k46 s PHE 149 Cb -0.12 -3.09 0.12 0.00 -0.34 0.00 0.00 43.02 39.59 2k46 s PHE 149 CO 0.04 0.10 0.16 -0.08 -1.46 0.00 0.00 175.22 173.98 2k46 s THR 150 N -0.99 0.06 0.00 0.12 -1.32 -1.26 -4.87 115.64 107.38 2k46 s THR 150 Ca 0.43 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 2k46 s THR 150 Cb -0.28 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 2k46 s THR 150 CO 0.34 -0.83 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 2k46 n GLY 151 N 4.73 1.30 3.79 6.08 0.00 -1.26 -4.85 105.19 114.98 2k46 n GLY 151 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2k46 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k46 s LYS 152 N 0.00 2.01 -0.23 1.61 0.00 -1.26 -2.96 119.74 118.91 2k46 s LYS 152 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 55.97 54.56 2k46 s LYS 152 Cb 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 37.83 38.38 2k46 s LYS 152 CO 0.00 -0.92 0.26 -1.17 0.00 0.00 0.00 175.35 173.52 2k46 s LEU 153 N -3.02 4.12 -0.24 2.77 2.96 0.51 -4.86 118.68 120.93 2k46 s LEU 153 Ca 0.15 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2k46 s LEU 153 Cb -0.05 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.38 2k46 s LEU 153 CO 0.10 -0.00 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.52 2k46 s SER 154 N 1.10 4.25 -0.64 3.68 0.15 -1.26 -0.55 113.70 120.42 2k46 s SER 154 Ca 0.12 -0.71 -0.18 0.00 0.70 0.00 0.00 55.95 55.88 2k46 s SER 154 Cb -0.14 -1.68 0.12 0.00 -1.71 0.00 0.00 66.02 62.61 2k46 s SER 154 CO 0.06 -0.09 0.72 -0.69 1.20 0.00 0.00 173.24 174.44 2k46 s VAL 155 N 1.37 4.95 -0.12 4.45 1.01 -1.02 0.12 120.40 131.17 2k46 s VAL 155 Ca 0.02 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 2k46 s VAL 155 Cb -0.16 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2k46 s VAL 155 CO -0.05 -1.11 -0.04 -0.70 0.00 0.00 0.00 175.10 173.20 2k46 s GLU 156 N 2.26 3.28 -0.05 2.72 2.12 -0.87 -2.41 118.70 125.75 2k46 s GLU 156 Ca 0.13 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.99 2k46 s GLU 156 Cb -0.22 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.37 2k46 s GLU 156 CO 0.03 0.45 -0.17 -0.59 -0.54 0.00 0.00 175.26 174.44 2k46 s PHE 157 N -0.20 1.68 -0.06 5.30 -0.12 -1.08 -0.63 117.98 122.88 2k46 s PHE 157 Ca 0.04 -0.51 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 2k46 s PHE 157 Cb -0.13 -1.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.08 2k46 s PHE 157 CO 0.02 -0.18 0.03 0.08 -0.05 0.00 0.00 175.22 175.12 2k46 s VAL 158 N 0.12 4.50 0.34 -2.49 1.01 -0.89 -2.74 120.40 120.26 2k46 s VAL 158 Ca -0.06 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 2k46 s VAL 158 Cb -0.12 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 2k46 s VAL 158 CO 0.03 0.51 1.08 -1.59 0.00 0.00 0.00 175.10 175.12 2k46 s LYS 159 N -1.21 4.39 -0.01 2.72 0.00 -1.26 -2.75 119.74 121.62 2k46 s LYS 159 Ca 0.17 1.66 0.12 0.00 0.00 0.00 0.00 55.97 57.92 2k46 s LYS 159 Cb -0.12 -2.86 -0.15 0.00 0.00 0.00 0.00 37.83 34.70 2k46 s LYS 159 CO 0.06 0.02 0.41 0.41 0.00 0.00 0.00 175.35 176.26 2k46 n GLY 160 N 0.78 -0.30 2.13 0.59 0.00 -1.26 -4.94 105.19 102.18 2k46 n GLY 160 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.55 -3.71 -3.61 1.61 9.36 -1.26 -4.95 117.16 113.05 2k46 n TYR 161 Ca 0.00 0.92 -0.03 0.00 3.32 0.00 0.00 57.90 62.12 2k46 n TYR 161 Cb 0.24 2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 41.42 2k46 n TYR 161 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2k46 s TYR 162 N -1.56 -0.08 -0.71 2.98 5.04 -1.26 -5.06 117.35 116.70 2k46 s TYR 162 Ca 0.00 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2k46 s TYR 162 Cb 0.00 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.83 2k46 s TYR 162 CO 0.00 -0.15 0.68 -0.25 -1.34 0.00 0.00 175.55 174.49 2k46 n ASP 163 N -0.14 -7.42 -4.44 4.32 8.00 -1.26 -4.92 116.55 110.69 2k46 n ASP 163 Ca 0.00 -0.12 -0.37 0.00 0.71 0.00 0.00 54.79 55.02 2k46 n ASP 163 Cb 0.59 -4.81 0.06 0.00 -0.02 0.00 0.00 41.12 36.94 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k46 n ASN 164 N -1.69 -1.47 -1.90 -2.24 4.13 -1.26 -4.49 115.26 106.33 2k46 n ASN 164 Ca -0.03 0.60 -0.22 0.00 1.68 0.00 0.00 54.58 56.60 2k46 n ASN 164 Cb 0.52 -1.18 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2k46 n PRO 165 N -0.43 0.00 0.00 3.52 -0.02 -1.26 -4.84 135.00 131.97 2k46 n PRO 165 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2k46 n PRO 165 Cb 0.50 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 2k46 n PRO 165 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k46 n LYS 166 N 3.46 0.00 -2.68 -0.52 4.81 -1.26 -4.63 118.16 117.34 2k46 n LYS 166 Ca 0.26 0.35 -0.41 0.00 -0.87 0.00 0.00 58.31 57.63 2k46 n LYS 166 Cb -0.00 -1.30 -0.04 0.00 0.02 0.00 0.00 35.03 33.71 2k46 n LYS 166 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k46 s VAL 167 N -2.20 4.50 -0.09 3.15 1.01 -0.95 -4.57 120.40 121.25 2k46 s VAL 167 Ca 0.00 1.98 0.01 0.00 0.00 0.00 0.00 61.98 63.96 2k46 s VAL 167 Cb 0.00 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.14 2k46 s VAL 167 CO 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 2k46 n ALA 169 N 4.44 4.61 -1.17 0.00 0.00 0.05 -0.42 120.51 128.02 2k46 n ALA 169 Ca -0.17 -3.53 -0.46 0.00 0.00 0.00 0.00 53.44 49.28 2k46 n ALA 169 Cb 0.51 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.91 -0.11 -3.30 0.00 -0.00 0.15 -3.05 117.00 109.77 2k46 n LEU 170 Ca 0.36 0.91 -0.09 0.00 -0.00 0.00 0.00 56.01 57.19 2k46 n LEU 170 Cb 0.88 -0.73 -0.05 0.00 -0.00 0.00 0.00 43.42 43.52 2k46 n LEU 170 CO 0.27 -1.59 -0.06 0.12 -0.00 0.00 0.00 177.39 176.12 2k46 s PHE 171 N -0.08 -0.97 -0.20 1.96 5.36 -0.05 -0.41 117.98 123.58 2k46 s PHE 171 Ca 0.69 0.09 -0.07 0.00 -0.96 0.00 0.00 56.93 56.68 2k46 s PHE 171 Cb -0.97 -0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.53 2k46 s PHE 171 CO 0.45 -1.01 0.06 -1.50 -1.46 0.00 0.00 175.22 171.76 2k46 s ILE 172 N 2.23 4.58 0.31 3.12 2.07 -0.02 -1.59 121.20 131.90 2k46 s ILE 172 Ca 0.12 -0.10 0.10 0.00 -1.41 0.00 0.00 60.65 59.36 2k46 s ILE 172 Cb -0.12 -3.08 -0.05 0.00 0.13 0.00 0.00 42.46 39.33 2k46 s ILE 172 CO -0.22 0.42 -0.10 0.00 -1.91 0.00 0.00 174.94 173.14 2k46 s MET 173 N 0.77 1.88 0.07 3.50 0.00 -1.09 -2.92 119.30 121.51 2k46 s MET 173 Ca 0.03 -1.77 0.09 0.00 0.00 0.00 0.00 55.69 54.04 2k46 s MET 173 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 34.83 32.83 2k46 s MET 173 CO 0.02 0.24 -0.25 -1.59 0.00 0.00 0.00 175.02 173.43 2k46 s LYS 174 N -3.60 1.58 0.00 3.16 -2.85 -1.11 -2.43 119.74 114.49 2k46 s LYS 174 Ca 0.32 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2k46 s LYS 174 Cb -0.02 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2k46 s LYS 174 CO 0.17 0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.49 2k46 n GLY 175 N 1.49 2.88 0.00 0.59 0.00 0.96 -4.79 105.19 106.31 2k46 n GLY 175 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.01 2.61 -2.24 0.20 -2.84 114.28 112.01 2k46 n THR 176 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2k46 n THR 176 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.61 0.00 6.98 0.00 -1.95 -3.35 119.26 121.55 2k46 h ALA 177 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 2k46 h ALA 177 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k46 h ALA 177 CO 0.00 1.45 0.17 -0.44 0.00 0.00 0.00 179.25 180.43 2k46 h ASP 178 N 0.02 0.00 0.00 0.00 5.19 -1.99 -3.14 116.42 116.49 2k46 h ASP 178 Ca -0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2k46 h ASP 178 Cb 1.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.49 2k46 h ASP 178 CO 0.10 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.69 2k46 n ASP 179 N -2.62 0.00 -2.16 6.45 9.92 -1.26 -4.85 116.55 122.04 2k46 n ASP 179 Ca -0.02 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2k46 n ASP 179 Cb 0.22 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2k46 n ASP 179 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2k46 n VAL 180 N -0.65 0.00 -1.67 2.53 0.24 -1.19 -4.69 118.33 112.90 2k46 n VAL 180 Ca 0.00 0.00 -0.48 0.00 -2.04 0.00 0.00 64.34 61.82 2k46 n VAL 180 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2k46 n PRO 181 N -0.48 2.13 -3.23 7.34 -0.02 -1.26 -4.95 135.00 134.53 2k46 n PRO 181 Ca 0.00 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 2k46 n PRO 181 Cb 0.00 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 30.82 2k46 n PRO 181 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k46 s MET 182 N 2.72 4.08 -0.12 -0.52 -1.94 -1.26 -4.71 119.30 117.55 2k46 s MET 182 Ca 0.87 0.34 -0.09 0.00 -1.71 0.00 0.00 55.69 55.10 2k46 s MET 182 Cb -0.70 -3.65 0.03 0.00 2.01 0.00 0.00 34.83 32.53 2k46 s MET 182 CO 0.46 -0.34 0.17 1.28 -0.01 0.00 0.00 175.02 176.58 2k46 n LEU 183 N 5.49 -6.30 -4.62 -0.03 4.32 -1.26 -4.89 117.00 109.71 2k46 n LEU 183 Ca -0.04 2.51 -0.40 0.00 -0.02 0.00 0.00 56.01 58.07 2k46 n LEU 183 Cb 0.50 -3.28 0.03 0.00 -1.62 0.00 0.00 43.42 39.05 2k46 n LEU 183 CO 0.41 -3.72 0.59 0.00 -1.22 0.00 0.00 177.39 173.44 2k46 n GLN 184 N 1.78 1.21 -1.41 3.23 0.00 -1.26 -4.86 117.38 116.06 2k46 n GLN 184 Ca -0.29 0.44 -0.42 0.00 0.00 0.00 0.00 57.00 56.74 2k46 n GLN 184 Cb 0.45 -2.14 0.01 0.00 0.00 0.00 0.00 30.24 28.56 2k46 n GLN 184 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2k46 n PRO 185 N -0.39 0.40 -4.19 2.61 -0.02 -1.26 -5.01 135.00 127.14 2k46 n PRO 185 Ca 0.11 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.54 2k46 n PRO 185 Cb 0.43 -1.37 -0.16 0.00 -0.02 0.00 0.00 33.50 32.39 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N -1.53 0.70 -0.04 6.00 2.46 -1.26 -5.03 115.29 116.59 2k46 s HIS 186 Ca 0.62 -0.18 0.26 0.00 0.47 0.00 0.00 55.06 56.24 2k46 s HIS 186 Cb -0.61 -0.59 0.83 0.00 -0.13 0.00 0.00 32.58 32.08 2k46 s HIS 186 CO 0.59 -0.14 1.78 -1.00 -2.47 0.00 0.00 174.74 173.51 2k46 h PRO 187 N 6.85 0.00 -6.57 2.88 0.13 -2.05 -3.46 132.00 129.78 2k46 h PRO 187 Ca -0.36 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.19 2k46 h PRO 187 Cb 1.16 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.47 2k46 h PRO 187 CO 0.48 0.13 -0.37 0.41 -0.23 0.00 0.00 178.00 178.42 2k46 n GLY 188 N 0.46 -1.46 3.67 1.56 0.00 -1.26 -4.98 105.19 103.18 2k46 n GLY 188 Ca 0.01 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.31 3.63 0.00 0.99 1.02 -1.26 -5.26 118.68 118.10 2k46 s LEU 189 Ca 0.68 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.95 2k46 s LEU 189 Cb -0.41 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 43.95 2k46 s LEU 189 CO 0.55 0.33 0.00 1.21 0.02 0.00 0.00 176.35 178.46