#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 0.82 -3.21 4.61 0.00 -1.26 -4.82 120.51 116.65 2k46 n ALA 2 Ca 0.00 -0.75 -0.46 0.00 0.00 0.00 0.00 53.44 52.24 2k46 n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 2k46 n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2k46 s MET 3 N -2.65 3.21 -0.29 0.00 -2.45 -1.26 -4.98 119.30 110.87 2k46 s MET 3 Ca -0.27 -1.76 -0.02 0.00 -1.25 0.00 0.00 55.69 52.39 2k46 s MET 3 Cb 0.05 -4.37 0.10 0.00 1.25 0.00 0.00 34.83 31.86 2k46 s MET 3 CO 0.40 -1.43 0.10 0.45 1.05 0.00 0.00 175.02 175.59 2k46 s SER 4 N 3.27 3.76 -0.36 1.11 0.15 -1.26 -4.97 113.70 115.40 2k46 s SER 4 Ca 0.12 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.38 2k46 s SER 4 Cb -0.21 -0.68 0.24 0.00 -1.71 0.00 0.00 66.02 63.66 2k46 s SER 4 CO 0.00 -0.41 1.22 0.61 1.20 0.00 0.00 173.24 175.86 2k46 n GLY 5 N 4.99 0.13 0.06 9.45 0.00 -1.26 -5.01 105.19 113.55 2k46 n GLY 5 Ca -0.04 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 1.75 -0.00 -2.17 0.99 5.85 -1.89 -3.03 115.31 116.80 2k46 h LEU 6 Ca -0.39 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 57.70 2k46 h LEU 6 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2k46 h LEU 6 CO -0.11 0.62 0.24 0.00 -0.34 0.00 0.00 178.44 178.86 2k46 h ALA 7 N 0.37 1.24 0.00 1.25 0.00 -1.79 -1.09 119.26 119.24 2k46 h ALA 7 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2k46 h ALA 7 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2k46 h ALA 7 CO 0.00 -0.24 -0.85 0.22 0.00 0.00 0.00 179.25 178.38 2k46 h ASP 8 N 0.00 0.00 0.10 0.00 3.58 -1.88 -3.32 116.42 114.90 2k46 h ASP 8 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k46 h ASP 8 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k46 h ASP 8 CO 0.00 0.85 -1.71 0.29 -2.88 0.00 0.00 179.24 175.80 2k46 n LYS 9 N -3.33 0.53 -1.39 0.28 5.02 -0.46 -4.98 118.16 113.82 2k46 n LYS 9 Ca 0.00 -0.13 -0.44 0.00 -2.02 0.00 0.00 58.31 55.73 2k46 n LYS 9 Cb 0.87 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.15 1.45 0.00 -0.18 3.14 -0.93 -2.71 118.33 116.95 2k46 n VAL 10 Ca -0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2k46 n VAL 10 Cb 0.52 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 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 -0.60 0.00 -3.65 1.55 -5.35 -1.17 -4.85 119.36 105.29 2k46 n ILE 11 Ca 0.13 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.62 2k46 n ILE 11 Cb 0.35 0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.21 -0.21 -0.04 4.28 -0.00 -1.12 -5.07 118.94 116.56 2k46 s TRP 12 Ca 0.00 0.43 -0.12 0.00 -0.00 0.00 0.00 56.10 56.40 2k46 s TRP 12 Cb 0.00 0.15 0.02 0.00 -0.00 0.00 0.00 33.47 33.65 2k46 s TRP 12 CO 0.00 -0.10 0.28 0.00 -0.00 0.00 0.00 176.95 177.13 2k46 s ALA 13 N 1.05 -0.70 -0.12 5.86 0.00 -1.25 -1.04 121.76 125.55 2k46 s ALA 13 Ca -0.07 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2k46 s ALA 13 Cb -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.03 2k46 s ALA 13 CO -0.11 -0.21 0.28 0.08 0.00 0.00 0.00 175.76 175.79 2k46 s VAL 14 N -0.83 -0.17 -0.31 0.00 1.01 0.11 -1.68 120.40 118.53 2k46 s VAL 14 Ca -0.09 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2k46 s VAL 14 Cb -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 35.97 2k46 s VAL 14 CO 0.03 0.07 0.00 0.21 0.00 0.00 0.00 175.10 175.41 2k46 s ASN 15 N 1.66 4.77 -0.36 3.32 3.84 -1.26 -0.22 114.94 126.70 2k46 s ASN 15 Ca -0.06 -1.62 -0.29 0.00 0.21 0.00 0.00 52.86 51.10 2k46 s ASN 15 Cb -0.11 -1.66 0.01 0.00 -0.55 0.00 0.00 41.25 38.95 2k46 s ASN 15 CO -0.09 -0.30 1.25 0.00 -2.79 0.00 0.00 177.10 175.16 2k46 s ALA 16 N 1.11 3.30 0.00 1.71 0.00 0.13 -3.43 121.76 124.58 2k46 s ALA 16 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2k46 s ALA 16 Cb -0.20 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2k46 s ALA 16 CO -0.04 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.22 2k46 n GLY 17 N 4.46 1.35 0.00 0.00 0.00 -1.26 -2.99 105.19 106.74 2k46 n GLY 17 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 3.49 3.47 -0.02 0.00 -1.22 -3.51 105.19 107.40 2k46 n GLY 18 Ca 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 2k46 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 19 N 4.06 0.48 0.00 1.61 2.02 -1.26 -4.56 118.70 121.04 2k46 s GLU 19 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.25 2k46 s GLU 19 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 34.13 34.86 2k46 s GLU 19 CO 0.00 -0.24 0.00 0.43 0.02 0.00 0.00 175.26 175.47 2k46 n SER 20 N 5.43 -2.73 -4.27 -0.19 7.64 -1.24 -4.90 113.62 113.35 2k46 n SER 20 Ca -0.10 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.81 2k46 n SER 20 Cb 0.49 -0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 62.97 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N -0.20 1.67 -0.33 1.43 2.46 -1.02 -4.92 115.29 114.40 2k46 s HIS 21 Ca 0.00 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.09 2k46 s HIS 21 Cb 0.00 -0.91 0.08 0.00 -0.13 0.00 0.00 32.58 31.62 2k46 s HIS 21 CO 0.00 0.19 0.04 0.08 -2.47 0.00 0.00 174.74 172.58 2k46 s VAL 22 N -1.34 2.74 0.62 0.89 1.01 -1.26 -0.34 120.40 122.71 2k46 s VAL 22 Ca 0.06 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.07 2k46 s VAL 22 Cb -0.09 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2k46 s VAL 22 CO 0.04 -0.34 1.10 -0.62 0.00 0.00 0.00 175.10 175.28 2k46 s ASP 23 N 1.28 5.40 0.25 3.32 2.15 0.45 -4.84 116.67 124.67 2k46 s ASP 23 Ca 0.01 2.00 -0.09 0.00 0.43 0.00 0.00 52.55 54.90 2k46 s ASP 23 Cb -0.20 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.25 2k46 s ASP 23 CO -0.04 -1.43 1.60 -0.37 -0.17 0.00 0.00 175.17 174.76 2k46 h VAL 24 N 0.39 0.23 0.00 1.11 -1.51 -1.94 0.93 116.25 115.46 2k46 h VAL 24 Ca -0.48 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k46 h VAL 24 Cb 1.24 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2k46 h VAL 24 CO 0.55 0.00 0.07 0.45 -1.23 0.00 0.00 177.57 177.42 2k46 h HIS 25 N 0.02 0.00 0.00 5.19 3.86 -2.03 -3.44 115.15 118.75 2k46 h HIS 25 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2k46 h HIS 25 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2k46 h HIS 25 CO -0.57 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.63 2k46 n GLY 26 N -1.19 1.63 3.52 2.45 0.00 0.32 -3.70 105.19 108.22 2k46 n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 4.79 -0.16 -0.61 -1.09 -1.10 -4.51 121.20 116.52 2k46 s ILE 27 Ca 0.00 -0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.34 2k46 s ILE 27 Cb 0.00 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 2k46 s ILE 27 CO 0.00 0.31 0.08 -2.28 -1.23 0.00 0.00 174.94 171.82 2k46 s HIS 28 N 1.59 3.32 -0.16 3.97 5.65 -1.26 -0.41 115.29 127.99 2k46 s HIS 28 Ca 0.06 0.20 -0.08 0.00 0.25 0.00 0.00 55.06 55.49 2k46 s HIS 28 Cb -0.15 -2.03 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 2k46 s HIS 28 CO 0.07 0.31 0.12 -0.47 -0.65 0.00 0.00 174.74 174.12 2k46 s TYR 29 N -0.03 3.46 -0.39 3.88 5.04 0.54 -3.97 117.35 125.89 2k46 s TYR 29 Ca 0.07 0.38 -0.18 0.00 -2.44 0.00 0.00 57.07 54.90 2k46 s TYR 29 Cb -0.12 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.14 2k46 s TYR 29 CO 0.01 0.46 0.50 -0.98 -1.34 0.00 0.00 175.55 174.20 2k46 s ARG 30 N -0.22 3.39 0.00 4.97 1.70 -0.68 -2.43 118.95 125.68 2k46 s ARG 30 Ca 0.10 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 2k46 s ARG 30 Cb -0.11 -3.88 0.00 0.00 -0.57 0.00 0.00 34.95 30.38 2k46 s ARG 30 CO 0.01 -0.77 0.00 1.17 -1.08 0.00 0.00 175.30 174.63 2k46 n LYS 31 N 5.76 0.00 -0.19 3.89 4.81 -1.26 -4.17 118.16 127.00 2k46 n LYS 31 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.36 2k46 n LYS 31 Cb 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.50 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.00 -0.19 0.00 3.14 8.00 -1.26 -4.91 116.55 121.33 2k46 n ASP 32 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2k46 n ASP 32 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2k46 n ASP 32 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k46 n PRO 33 N 0.69 0.00 -0.59 -0.24 -0.02 -1.26 -3.71 135.00 129.88 2k46 n PRO 33 Ca 0.08 0.00 0.47 0.00 -2.02 0.00 0.00 63.50 62.03 2k46 n PRO 33 Cb 0.02 0.00 0.75 0.00 -0.02 0.00 0.00 33.50 34.24 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2k46 n LEU 34 N 0.00 0.10 -4.57 2.45 -0.00 -1.26 -0.58 117.00 113.14 2k46 n LEU 34 Ca 0.00 1.17 -0.17 0.00 -0.00 0.00 0.00 56.01 57.01 2k46 n LEU 34 Cb 0.00 -0.58 -0.08 0.00 -0.00 0.00 0.00 43.42 42.75 2k46 n LEU 34 CO 0.00 -1.23 1.21 -1.61 -0.00 0.00 0.00 177.39 175.76 2k46 s GLU 35 N -5.02 1.65 0.00 1.47 0.41 -1.26 -3.41 118.70 112.53 2k46 s GLU 35 Ca -0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 2k46 s GLU 35 Cb 0.29 -4.95 0.00 0.00 -1.78 0.00 0.00 34.13 27.69 2k46 s GLU 35 CO 0.85 -4.68 0.00 0.41 -0.49 0.00 0.00 175.26 171.34 2k46 n GLY 36 N 6.46 1.95 3.00 -1.39 0.00 -1.25 -4.24 105.19 109.71 2k46 n GLY 36 Ca 0.44 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -0.52 -2.92 -4.17 1.61 1.74 0.25 -4.90 116.66 107.74 2k46 n ARG 37 Ca 0.00 0.45 -0.16 0.00 -0.77 0.00 0.00 57.85 57.38 2k46 n ARG 37 Cb 0.00 -5.10 -0.07 0.00 -1.02 0.00 0.00 32.46 26.27 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k46 s VAL 38 N -2.73 0.00 -0.52 1.55 -7.23 -1.26 -5.03 120.40 105.17 2k46 s VAL 38 Ca 0.24 -1.80 -0.27 0.00 -1.81 0.00 0.00 61.98 58.33 2k46 s VAL 38 Cb -0.13 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2k46 s VAL 38 CO 0.29 0.00 1.95 -0.83 -0.31 0.00 0.00 175.10 176.20 2k46 s GLY 39 N -3.26 0.22 -0.30 2.32 0.00 -1.26 -4.88 107.32 100.16 2k46 s GLY 39 Ca 0.35 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 2k46 s GLY 39 CO 0.21 3.52 0.67 -1.60 0.00 0.00 0.00 173.10 175.90 2k46 s ARG 40 N 6.96 0.54 -0.57 2.90 6.06 -1.26 -5.10 118.95 128.48 2k46 s ARG 40 Ca 0.76 1.17 0.04 0.00 -2.50 0.00 0.00 55.73 55.20 2k46 s ARG 40 Cb -0.16 0.68 0.16 0.00 0.06 0.00 0.00 34.95 35.70 2k46 s ARG 40 CO 0.25 -0.38 0.39 0.00 -2.50 0.00 0.00 175.30 173.06 2k46 s ALA 41 N 2.86 2.84 -1.09 6.12 0.00 -1.26 -4.92 121.76 126.30 2k46 s ALA 41 Ca 0.06 -3.21 -0.25 0.00 0.00 0.00 0.00 51.96 48.56 2k46 s ALA 41 Cb -0.13 -1.96 -0.17 0.00 0.00 0.00 0.00 23.12 20.86 2k46 s ALA 41 CO -0.19 -2.05 2.07 -1.12 0.00 0.00 0.00 175.76 174.46 2k46 s SER 42 N -0.66 4.07 -0.12 0.00 0.01 -1.26 -4.69 113.70 111.04 2k46 s SER 42 Ca 0.25 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.42 2k46 s SER 42 Cb -0.07 -2.59 0.25 0.00 0.21 0.00 0.00 66.02 63.82 2k46 s SER 42 CO -0.14 -4.06 1.16 -0.90 0.41 0.00 0.00 173.24 169.71 2k46 n ASP 43 N 17.62 3.01 -0.02 2.44 5.68 -1.26 -4.28 116.55 139.73 2k46 n ASP 43 Ca 0.43 -2.46 -0.12 0.00 -0.50 0.00 0.00 54.79 52.14 2k46 n ASP 43 Cb 0.46 -0.60 -0.07 0.00 -1.14 0.00 0.00 41.12 39.78 2k46 n ASP 43 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2k46 h TYR 44 N 0.74 0.16 -0.45 2.11 3.20 -1.89 -2.88 116.97 117.95 2k46 h TYR 44 Ca 0.13 -0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.73 2k46 h TYR 44 Cb 1.39 -0.04 -0.14 0.00 1.54 0.00 0.00 36.73 39.48 2k46 h TYR 44 CO 0.48 0.36 0.32 0.41 -1.64 0.00 0.00 178.16 178.08 2k46 n GLY 45 N -0.42 3.27 0.22 1.82 0.00 -1.26 -4.30 105.19 104.52 2k46 n GLY 45 Ca -0.06 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.53 2k46 n GLY 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2k46 h MET 46 N 0.61 0.00 0.00 1.61 -1.53 -1.81 -3.44 114.93 110.36 2k46 h MET 46 Ca 0.29 0.00 -0.37 0.00 -3.44 0.00 0.00 59.70 56.18 2k46 h MET 46 Cb 1.71 0.00 0.20 0.00 -0.55 0.00 0.00 31.60 32.96 2k46 h MET 46 CO 0.54 0.00 -0.05 1.17 0.14 0.00 0.00 176.91 178.71 2k46 n LYS 47 N -2.68 -4.06 -3.25 0.39 4.81 -1.26 -4.44 118.16 107.67 2k46 n LYS 47 Ca 0.00 -1.53 -0.14 0.00 -0.87 0.00 0.00 58.31 55.78 2k46 n LYS 47 Cb 0.20 -1.72 0.06 0.00 0.02 0.00 0.00 35.03 33.59 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k46 n LEU 48 N 0.00 -5.64 -4.67 3.14 4.32 -1.26 -4.87 117.00 108.02 2k46 n LEU 48 Ca 0.14 -0.63 -0.48 0.00 -0.02 0.00 0.00 56.01 55.02 2k46 n LEU 48 Cb 0.57 -3.17 -0.05 0.00 -1.62 0.00 0.00 43.42 39.16 2k46 n LEU 48 CO 0.39 -0.08 1.35 -2.65 -1.22 0.00 0.00 177.39 175.18 2k46 n PRO 49 N -3.05 2.10 -1.67 3.23 -0.02 -1.26 -4.85 135.00 129.48 2k46 n PRO 49 Ca -0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2k46 n PRO 49 Cb 0.60 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k46 n ILE 50 N 4.38 0.68 -0.15 4.25 5.41 -1.26 -4.79 119.36 127.88 2k46 n ILE 50 Ca 0.20 -0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 2k46 n ILE 50 Cb 0.28 -2.28 -0.01 0.00 -0.71 0.00 0.00 39.64 36.92 2k46 n ILE 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k46 h LEU 51 N 10.16 0.77 -1.54 1.39 4.07 -1.89 -3.07 115.31 125.20 2k46 h LEU 51 Ca -0.49 -0.33 -0.00 0.00 0.08 0.00 0.00 57.88 57.14 2k46 h LEU 51 Cb 1.24 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 2k46 h LEU 51 CO 0.94 0.91 0.00 0.54 -1.08 0.00 0.00 178.44 179.76 2k46 n ARG 52 N -4.37 1.03 -3.79 1.13 5.12 -1.26 -4.71 116.66 109.80 2k46 n ARG 52 Ca -0.01 -0.04 -0.15 0.00 -1.93 0.00 0.00 57.85 55.73 2k46 n ARG 52 Cb 0.32 -1.26 -0.16 0.00 -1.16 0.00 0.00 32.46 30.21 2k46 n ARG 52 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2k46 s SER 53 N 0.49 0.10 0.72 0.55 1.04 -1.16 -4.94 113.70 110.51 2k46 s SER 53 Ca 0.01 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 2k46 s SER 53 Cb 0.01 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.08 2k46 s SER 53 CO 0.00 -0.12 1.24 -0.46 0.98 0.00 0.00 173.24 174.88 2k46 n ASN 54 N 4.13 1.54 -0.34 7.02 6.94 -1.26 -4.44 115.26 128.86 2k46 n ASN 54 Ca -0.27 0.72 0.33 0.00 -0.02 0.00 0.00 54.58 55.33 2k46 n ASN 54 Cb 0.50 -1.53 0.60 0.00 -2.36 0.00 0.00 39.78 37.00 2k46 n ASN 54 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2k46 n PRO 55 N -2.50 -0.06 0.03 -0.53 -0.02 -1.26 0.95 135.00 131.62 2k46 n PRO 55 Ca 0.15 1.36 -0.08 0.00 -2.02 0.00 0.00 63.50 62.91 2k46 n PRO 55 Cb 0.49 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 2k46 n PRO 55 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k46 h GLU 56 N 0.00 -0.18 0.00 -0.52 4.39 -1.98 -2.95 114.58 113.33 2k46 h GLU 56 Ca 0.85 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.56 2k46 h GLU 56 Cb 2.32 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 31.01 2k46 h GLU 56 CO -0.73 0.18 0.00 -0.40 -1.16 0.00 0.00 179.01 176.90 2k46 n ASP 57 N -4.88 0.00 0.12 1.42 5.75 -0.72 -2.78 116.55 115.45 2k46 n ASP 57 Ca -0.06 0.14 -0.05 0.00 -0.01 0.00 0.00 54.79 54.81 2k46 n ASP 57 Cb 0.22 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 39.96 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2k46 h GLN 58 N 0.00 -0.32 -1.04 0.11 4.15 0.68 0.71 115.11 119.40 2k46 h GLN 58 Ca 0.00 0.02 0.27 0.00 0.77 0.00 0.00 58.65 59.71 2k46 h GLN 58 Cb 0.18 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 27.83 2k46 h GLN 58 CO 0.00 -0.21 0.64 -0.24 -1.93 0.00 0.00 178.83 177.09 2k46 h VAL 59 N -0.60 0.51 0.11 2.39 3.04 -1.35 0.31 116.25 120.66 2k46 h VAL 59 Ca -0.03 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2k46 h VAL 59 Cb 0.25 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 2k46 h VAL 59 CO 0.06 0.08 -0.05 0.25 -1.01 0.00 0.00 177.57 176.90 2k46 h LEU 60 N 0.46 -0.13 0.00 3.16 5.85 -1.55 -3.03 115.31 120.07 2k46 h LEU 60 Ca 0.63 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2k46 h LEU 60 Cb 1.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2k46 h LEU 60 CO -0.38 -0.05 0.00 -1.22 -0.34 0.00 0.00 178.44 176.44 2k46 n TYR 61 N -2.60 0.00 0.00 1.25 4.02 0.24 -4.38 117.16 115.69 2k46 n TYR 61 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2k46 n TYR 61 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.81 0.00 0.00 -0.72 7.27 0.11 -4.70 117.38 118.53 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 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 -3.65 1.69 -2.24 -1.17 -4.64 114.28 104.27 2k46 n THR 63 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2k46 n THR 63 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.00 0.03 0.47 -0.78 -1.05 -1.23 -4.72 118.70 111.41 2k46 s GLU 64 Ca 0.00 0.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.88 2k46 s GLU 64 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 2k46 s GLU 64 CO 0.00 -0.00 0.04 0.50 0.95 0.00 0.00 175.26 176.75 2k46 s ARG 65 N -0.06 2.08 1.18 -4.83 3.52 -1.23 -4.20 118.95 115.41 2k46 s ARG 65 Ca 0.08 -2.29 -0.15 0.00 -0.13 0.00 0.00 55.73 53.24 2k46 s ARG 65 Cb -0.05 -1.26 0.25 0.00 -1.56 0.00 0.00 34.95 32.33 2k46 s ARG 65 CO -0.16 -0.36 0.71 0.98 -0.81 0.00 0.00 175.30 175.66 2k46 n TYR 66 N -1.11 -1.43 -4.15 5.12 9.36 -1.26 -4.86 117.16 118.82 2k46 n TYR 66 Ca -0.13 -0.10 -0.11 0.00 3.32 0.00 0.00 57.90 60.87 2k46 n TYR 66 Cb 0.66 -1.64 -0.09 0.00 -0.63 0.00 0.00 39.34 37.64 2k46 n TYR 66 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2k46 s ASN 67 N -2.22 0.12 0.00 2.98 0.01 -1.26 -5.00 114.94 109.57 2k46 s ASN 67 Ca 0.65 -1.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.52 2k46 s ASN 67 Cb -0.22 0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.85 2k46 s ASN 67 CO 0.66 -0.88 0.00 1.21 -1.51 0.00 0.00 177.10 176.58 2k46 n GLU 68 N -0.27 0.00 -3.56 -0.60 4.07 -1.26 -4.99 120.64 114.02 2k46 n GLU 68 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 2k46 n GLU 68 Cb 0.65 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.97 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2k46 s ASP 69 N 1.73 -0.64 -0.31 4.31 1.47 -1.26 -4.41 116.67 117.56 2k46 s ASP 69 Ca 0.00 0.95 -0.14 0.00 1.18 0.00 0.00 52.55 54.54 2k46 s ASP 69 Cb 0.00 1.48 0.02 0.00 -0.34 0.00 0.00 42.92 44.08 2k46 s ASP 69 CO 0.00 -0.14 0.34 -0.24 0.68 0.00 0.00 175.17 175.81 2k46 n SER 70 N 4.36 -7.08 -3.65 2.11 2.88 -1.19 -5.02 113.62 106.02 2k46 n SER 70 Ca -0.15 0.57 -0.10 0.00 -1.33 0.00 0.00 58.87 57.86 2k46 n SER 70 Cb 0.55 -3.66 -0.02 0.00 -0.75 0.00 0.00 64.21 60.33 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 -1.74 -0.32 -0.60 0.66 -0.71 -1.12 -4.98 117.98 109.16 2k46 s PHE 71 Ca 0.17 -0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 2k46 s PHE 71 Cb -0.03 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 2k46 s PHE 71 CO 0.64 -1.01 0.00 0.41 -1.34 0.00 0.00 175.22 173.92 2k46 n GLY 72 N -0.40 -1.10 3.96 1.99 0.00 -1.26 -2.61 105.19 105.77 2k46 n GLY 72 Ca -0.11 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 2.13 0.06 1.61 1.51 -0.64 -4.78 117.35 114.24 2k46 s TYR 73 Ca 0.00 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 2k46 s TYR 73 Cb 0.00 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2k46 s TYR 73 CO 0.00 -0.56 -0.16 0.16 -1.11 0.00 0.00 175.55 173.88 2k46 s ASP 74 N -4.36 1.88 -0.14 2.29 -4.77 -1.26 -2.55 116.67 107.76 2k46 s ASP 74 Ca 0.51 -0.54 -0.04 0.00 -3.30 0.00 0.00 52.55 49.18 2k46 s ASP 74 Cb -0.05 -0.11 0.06 0.00 -1.09 0.00 0.00 42.92 41.73 2k46 s ASP 74 CO 0.31 0.02 0.11 -0.63 0.70 0.00 0.00 175.17 175.69 2k46 s ILE 75 N -1.00 -0.16 0.23 2.11 1.09 -0.20 -5.01 121.20 118.27 2k46 s ILE 75 Ca 0.02 0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.33 2k46 s ILE 75 Cb -0.09 -0.46 -0.09 0.00 -1.06 0.00 0.00 42.46 40.76 2k46 s ILE 75 CO 0.02 -0.11 0.92 -2.16 -0.10 0.00 0.00 174.94 173.51 2k46 s PRO 76 N 2.20 4.80 0.07 2.79 0.04 -1.26 -0.27 135.00 143.37 2k46 s PRO 76 Ca 0.04 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.56 2k46 s PRO 76 Cb -0.15 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2k46 s PRO 76 CO -0.08 0.51 -0.15 0.42 0.04 0.00 0.00 177.00 177.74 2k46 s ILE 77 N -1.20 1.23 0.00 0.56 1.01 -1.25 -4.92 121.20 116.62 2k46 s ILE 77 Ca 0.41 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2k46 s ILE 77 Cb -0.25 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2k46 s ILE 77 CO 0.31 -0.15 0.26 2.29 0.00 0.00 0.00 174.94 177.64 2k46 n LYS 78 N 1.35 0.00 -4.39 2.79 -0.00 -1.26 -4.87 118.16 111.78 2k46 n LYS 78 Ca -0.20 -0.26 -0.20 0.00 -0.00 0.00 0.00 58.31 57.65 2k46 n LYS 78 Cb 0.54 -0.30 -0.10 0.00 -0.00 0.00 0.00 35.03 35.16 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k46 s GLU 79 N 0.00 1.45 0.20 -1.58 2.02 -1.26 -5.16 118.70 114.36 2k46 s GLU 79 Ca 0.00 -1.71 0.08 0.00 0.02 0.00 0.00 54.97 53.36 2k46 s GLU 79 Cb 0.00 -1.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.16 2k46 s GLU 79 CO 0.00 0.04 -0.16 -1.21 0.02 0.00 0.00 175.26 173.96 2k46 s GLU 80 N -3.74 1.32 0.00 1.61 8.01 -1.26 -5.01 118.70 119.64 2k46 s GLU 80 Ca 0.27 -1.55 0.00 0.00 0.01 0.00 0.00 54.97 53.71 2k46 s GLU 80 Cb 0.03 -1.19 0.00 0.00 -4.31 0.00 0.00 34.13 28.66 2k46 s GLU 80 CO 0.10 0.21 0.00 0.41 0.01 0.00 0.00 175.26 175.99 2k46 n GLY 81 N -0.21 0.00 3.32 -1.39 0.00 -0.72 -4.94 105.19 101.25 2k46 n GLY 81 Ca -0.09 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.00 2.71 -0.20 1.61 2.02 -1.12 -1.45 118.70 120.27 2k46 s GLU 82 Ca 0.00 -1.26 -0.15 0.00 0.02 0.00 0.00 54.97 53.58 2k46 s GLU 82 Cb 0.00 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 2k46 s GLU 82 CO 0.00 -0.81 0.35 0.71 0.02 0.00 0.00 175.26 175.53 2k46 s TYR 83 N 1.48 3.39 -0.20 1.61 1.51 -0.46 -0.11 117.35 124.57 2k46 s TYR 83 Ca 0.02 0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 56.63 2k46 s TYR 83 Cb -0.21 -2.46 -0.00 0.00 -0.11 0.00 0.00 41.96 39.18 2k46 s TYR 83 CO 0.04 0.05 -0.09 0.08 -1.11 0.00 0.00 175.55 174.52 2k46 s VAL 84 N 1.12 2.98 -0.46 0.71 1.01 -1.01 -0.13 120.40 124.62 2k46 s VAL 84 Ca 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2k46 s VAL 84 Cb -0.14 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 33.99 2k46 s VAL 84 CO 0.07 0.46 0.37 -0.22 0.00 0.00 0.00 175.10 175.78 2k46 s LEU 85 N 1.34 5.54 -0.11 3.92 0.20 -1.09 -2.62 118.68 125.86 2k46 s LEU 85 Ca 0.04 -1.38 -0.02 0.00 0.69 0.00 0.00 54.13 53.47 2k46 s LEU 85 Cb -0.14 -2.14 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 2k46 s LEU 85 CO -0.05 -0.63 -0.04 -0.69 -0.29 0.00 0.00 176.35 174.65 2k46 s VAL 86 N 1.59 3.94 -0.01 1.68 1.01 -0.67 -2.32 120.40 125.62 2k46 s VAL 86 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2k46 s VAL 86 Cb -0.24 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2k46 s VAL 86 CO 0.06 0.56 0.25 -1.48 0.00 0.00 0.00 175.10 174.49 2k46 s LEU 87 N -0.36 1.09 -0.24 3.92 0.05 -1.10 -1.71 118.68 120.33 2k46 s LEU 87 Ca 0.06 -0.02 -0.06 0.00 0.05 0.00 0.00 54.13 54.16 2k46 s LEU 87 Cb -0.12 1.07 -0.02 0.00 -2.05 0.00 0.00 46.19 45.07 2k46 s LEU 87 CO 0.02 -0.43 0.04 -0.75 -0.55 0.00 0.00 176.35 174.68 2k46 s LYS 88 N -1.37 3.59 0.01 1.48 2.47 -1.16 -2.43 119.74 122.33 2k46 s LYS 88 Ca -0.14 -0.52 0.01 0.00 -1.56 0.00 0.00 55.97 53.77 2k46 s LYS 88 Cb -0.06 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 33.05 2k46 s LYS 88 CO 0.03 -0.17 0.03 -0.06 0.16 0.00 0.00 175.35 175.34 2k46 s PHE 89 N 1.52 3.13 0.02 4.03 0.08 -0.19 -0.74 117.98 125.84 2k46 s PHE 89 Ca 0.06 0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.17 2k46 s PHE 89 Cb -0.15 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2k46 s PHE 89 CO 0.02 0.49 0.08 0.00 -0.10 0.00 0.00 175.22 175.71 2k46 s ALA 90 N -1.16 -0.10 -0.01 5.36 0.00 -1.15 -2.16 121.76 122.54 2k46 s ALA 90 Ca 0.22 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2k46 s ALA 90 Cb -0.12 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2k46 s ALA 90 CO 0.13 -0.24 0.02 -2.00 0.00 0.00 0.00 175.76 173.67 2k46 s GLU 91 N -1.95 0.01 0.26 0.00 2.56 -1.26 -2.38 118.70 115.93 2k46 s GLU 91 Ca -0.11 0.07 -0.03 0.00 0.00 0.00 0.00 54.97 54.90 2k46 s GLU 91 Cb -0.05 -0.05 -0.02 0.00 2.00 0.00 0.00 34.13 36.00 2k46 s GLU 91 CO -0.02 -0.04 0.30 0.14 -0.56 0.00 0.00 175.26 175.08 2k46 s VAL 92 N 0.28 0.00 -0.53 3.70 -7.23 -1.26 -4.62 120.40 110.73 2k46 s VAL 92 Ca -0.02 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2k46 s VAL 92 Cb -0.03 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2k46 s VAL 92 CO -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 2k46 n TYR 93 N -0.40 0.00 -3.76 2.82 9.36 -1.26 -4.93 117.16 118.99 2k46 n TYR 93 Ca 0.02 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.11 2k46 n TYR 93 Cb 0.64 -2.04 -0.11 0.00 -0.63 0.00 0.00 39.34 37.19 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2k46 s PHE 94 N -1.59 -0.37 -0.42 2.98 0.08 -1.26 -5.12 117.98 112.28 2k46 s PHE 94 Ca 0.00 0.89 0.02 0.00 0.12 0.00 0.00 56.93 57.95 2k46 s PHE 94 Cb 0.00 0.13 0.14 0.00 -0.57 0.00 0.00 43.02 42.71 2k46 s PHE 94 CO 0.00 -0.18 0.23 0.00 -0.10 0.00 0.00 175.22 175.17 2k46 s ALA 95 N 0.31 1.81 -0.10 5.36 0.00 -1.26 -5.03 121.76 122.85 2k46 s ALA 95 Ca -0.01 -2.40 -0.25 0.00 0.00 0.00 0.00 51.96 49.30 2k46 s ALA 95 Cb -0.03 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 21.34 2k46 s ALA 95 CO -0.01 -2.07 0.59 1.14 0.00 0.00 0.00 175.76 175.40 2k46 s GLN 96 N 0.54 0.88 0.13 0.00 -2.07 -1.26 -5.18 119.66 112.70 2k46 s GLN 96 Ca 0.18 0.34 0.07 0.00 -1.82 0.00 0.00 55.36 54.13 2k46 s GLN 96 Cb -0.23 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2k46 s GLN 96 CO 0.00 -0.23 -0.17 -1.12 -1.32 0.00 0.00 175.29 172.45 2k46 s SER 97 N -0.78 2.37 -0.77 12.60 0.01 -1.26 -4.37 113.70 121.51 2k46 s SER 97 Ca -0.08 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 2k46 s SER 97 Cb -0.02 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2k46 s SER 97 CO 0.06 -0.05 0.06 0.00 0.41 0.00 0.00 173.24 173.72 2k46 n GLN 98 N 0.62 -2.56 0.00 12.44 1.13 -1.26 -4.65 117.38 123.10 2k46 n GLN 98 Ca -0.16 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 2k46 n GLN 98 Cb 0.56 -4.97 0.00 0.00 0.11 0.00 0.00 30.24 25.93 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k46 n GLN 99 N -2.82 0.00 -3.25 -1.09 7.27 -1.26 -4.96 117.38 111.27 2k46 n GLN 99 Ca -0.08 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.52 2k46 n GLN 99 Cb 0.57 -0.21 -0.02 0.00 2.41 0.00 0.00 30.24 32.98 2k46 n GLN 99 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2k46 s LYS 100 N -2.00 3.58 0.04 3.69 2.20 -1.26 -5.03 119.74 120.96 2k46 s LYS 100 Ca 0.00 -2.29 0.04 0.00 -0.36 0.00 0.00 55.97 53.35 2k46 s LYS 100 Cb 0.00 -4.52 -0.04 0.00 -1.51 0.00 0.00 37.83 31.77 2k46 s LYS 100 CO 0.00 -1.39 -0.03 0.14 -0.36 0.00 0.00 175.35 173.72 2k46 s VAL 101 N 0.72 3.89 0.51 4.02 -7.23 -1.26 -4.45 120.40 116.60 2k46 s VAL 101 Ca 0.20 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2k46 s VAL 101 Cb -0.10 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2k46 s VAL 101 CO -0.08 0.26 0.02 0.49 -0.31 0.00 0.00 175.10 175.47 2k46 n PHE 102 N 1.07 1.09 -4.66 2.82 3.72 -0.88 -3.96 117.46 116.65 2k46 n PHE 102 Ca -0.13 -2.59 -0.23 0.00 -0.05 0.00 0.00 57.45 54.45 2k46 n PHE 102 Cb 0.52 -0.31 -0.15 0.00 -0.94 0.00 0.00 39.48 38.60 2k46 n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k46 s ASP 103 N -3.84 1.70 -0.03 4.37 1.11 -0.86 0.10 116.67 119.22 2k46 s ASP 103 Ca 0.02 -0.26 0.01 0.00 0.18 0.00 0.00 52.55 52.50 2k46 s ASP 103 Cb 0.00 -0.23 0.01 0.00 1.07 0.00 0.00 42.92 43.78 2k46 s ASP 103 CO 0.02 0.17 -0.05 -0.69 1.18 0.00 0.00 175.17 175.80 2k46 s VAL 104 N -0.28 0.48 0.02 -1.27 1.01 -0.61 -2.35 120.40 117.41 2k46 s VAL 104 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2k46 s VAL 104 Cb -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2k46 s VAL 104 CO -0.00 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.22 2k46 s ARG 105 N 0.53 0.49 -0.21 2.72 1.70 -0.79 -1.10 118.95 122.29 2k46 s ARG 105 Ca -0.07 -0.49 -0.03 0.00 -0.47 0.00 0.00 55.73 54.68 2k46 s ARG 105 Cb -0.10 -0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 33.91 2k46 s ARG 105 CO -0.00 0.08 -0.07 0.14 -1.08 0.00 0.00 175.30 174.37 2k46 s VAL 106 N -0.77 3.20 -1.38 4.99 -7.23 0.37 -2.60 120.40 116.97 2k46 s VAL 106 Ca -0.04 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2k46 s VAL 106 Cb -0.06 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2k46 s VAL 106 CO 0.00 0.45 0.00 -3.20 -0.31 0.00 0.00 175.10 172.04 2k46 n ASN 107 N 4.64 -4.36 0.00 4.85 2.85 0.20 -0.41 115.26 123.04 2k46 n ASN 107 Ca -0.18 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2k46 n ASN 107 Cb 0.51 -3.76 0.00 0.00 1.24 0.00 0.00 39.78 37.76 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k46 n GLY 108 N -0.69 0.95 3.04 8.20 0.00 -1.20 -4.77 105.19 110.71 2k46 n GLY 108 Ca -0.17 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 3.24 -0.12 1.61 3.76 0.45 -5.03 115.29 117.20 2k46 s HIS 109 Ca 0.00 -2.38 -0.29 0.00 -0.15 0.00 0.00 55.06 52.24 2k46 s HIS 109 Cb 0.00 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2k46 s HIS 109 CO 0.00 -0.88 1.85 0.95 -0.85 0.00 0.00 174.74 175.81 2k46 s THR 110 N 1.11 3.34 -0.10 1.30 -4.23 -1.26 -0.48 115.64 115.32 2k46 s THR 110 Ca -0.05 0.39 0.08 0.00 -1.18 0.00 0.00 61.69 60.93 2k46 s THR 110 Cb -0.20 -3.33 -0.11 0.00 1.34 0.00 0.00 72.50 70.20 2k46 s THR 110 CO -0.06 -0.12 0.01 0.52 -0.54 0.00 0.00 174.62 174.44 2k46 n VAL 111 N 6.32 0.66 -3.74 2.29 0.31 -0.26 -4.85 118.33 119.07 2k46 n VAL 111 Ca 0.21 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 2k46 n VAL 111 Cb 0.44 -0.77 -0.13 0.00 -0.91 0.00 0.00 33.84 32.46 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 -2.23 1.42 -0.97 2.52 1.01 -1.16 -5.03 120.40 115.96 2k46 s VAL 112 Ca -0.06 -2.44 -0.04 0.00 0.00 0.00 0.00 61.98 59.44 2k46 s VAL 112 Cb 0.03 -2.01 0.25 0.00 0.00 0.00 0.00 36.38 34.66 2k46 s VAL 112 CO 0.38 -0.85 0.98 2.29 0.00 0.00 0.00 175.10 177.90 2k46 n LYS 113 N 3.71 3.17 0.00 2.72 2.85 -1.26 -1.57 118.16 127.78 2k46 n LYS 113 Ca 0.07 -4.50 0.00 0.00 -1.05 0.00 0.00 58.31 52.83 2k46 n LYS 113 Cb 0.35 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.28 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k46 n ASP 114 N 2.17 0.00 -4.56 -5.58 5.68 0.12 -4.94 116.55 109.43 2k46 n ASP 114 Ca 0.24 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.32 2k46 n ASP 114 Cb 0.37 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 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 3.03 -1.08 -2.12 0.20 -0.36 -4.48 118.68 113.87 2k46 s LEU 115 Ca 0.00 -0.01 -0.07 0.00 0.69 0.00 0.00 54.13 54.73 2k46 s LEU 115 Cb 0.00 -2.55 0.27 0.00 -0.43 0.00 0.00 46.19 43.49 2k46 s LEU 115 CO 0.00 -3.37 1.10 -0.90 -0.29 0.00 0.00 176.35 172.89 2k46 n ASP 116 N 16.75 5.40 -0.15 3.68 5.68 -1.26 -2.08 116.55 144.57 2k46 n ASP 116 Ca 0.42 -3.09 -0.04 0.00 -0.50 0.00 0.00 54.79 51.59 2k46 n ASP 116 Cb 0.46 -1.32 0.03 0.00 -1.14 0.00 0.00 41.12 39.15 2k46 n ASP 116 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2k46 h ILE 117 N 3.67 0.51 -0.07 2.12 2.04 -1.88 -0.72 117.51 123.18 2k46 h ILE 117 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 2k46 h ILE 117 Cb 0.84 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2k46 h ILE 117 CO 1.02 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 179.21 2k46 h PHE 118 N -0.01 -0.29 0.00 1.37 3.57 -1.86 -2.17 116.94 117.55 2k46 h PHE 118 Ca 0.23 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 2k46 h PHE 118 Cb 0.36 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2k46 h PHE 118 CO -0.41 -0.17 -0.26 0.22 -2.23 0.00 0.00 178.31 175.46 2k46 h ASP 119 N -0.16 0.00 0.68 0.41 3.58 -1.64 0.25 116.42 119.54 2k46 h ASP 119 Ca 0.07 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2k46 h ASP 119 Cb 0.25 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.31 2k46 h ASP 119 CO -0.17 0.26 -0.32 0.03 -2.88 0.00 0.00 179.24 176.16 2k46 h ARG 120 N 0.00 -0.87 0.00 0.28 2.47 -0.50 -3.40 114.38 112.36 2k46 h ARG 120 Ca -0.00 0.06 -0.33 0.00 -1.26 0.00 0.00 59.98 58.45 2k46 h ARG 120 Cb 0.47 0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 2k46 h ARG 120 CO 0.03 -0.55 -2.23 1.33 0.56 0.00 0.00 179.97 179.12 2k46 n VAL 121 N -5.41 1.23 0.00 2.04 0.24 -1.06 -5.11 118.33 110.26 2k46 n VAL 121 Ca -0.13 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2k46 n VAL 121 Cb 0.38 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 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 2.37 0.51 3.60 7.63 0.00 0.88 -4.97 105.19 115.21 2k46 n GLY 122 Ca -0.39 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2k46 n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k46 s HIS 123 N 0.00 1.27 0.00 1.61 5.65 -1.26 -4.69 115.29 117.87 2k46 s HIS 123 Ca 0.00 0.52 0.00 0.00 0.25 0.00 0.00 55.06 55.83 2k46 s HIS 123 Cb 0.00 -3.97 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 2k46 s HIS 123 CO 0.00 -3.96 0.00 0.43 -0.65 0.00 0.00 174.74 170.56 2k46 n SER 124 N 11.34 0.00 -0.78 9.88 7.64 -1.26 -4.89 113.62 135.54 2k46 n SER 124 Ca 0.28 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.26 2k46 n SER 124 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 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 -4.29 0.44 -2.24 -1.26 -4.79 114.28 102.14 2k46 n THR 125 Ca 0.00 0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 2k46 n THR 125 Cb 0.00 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.89 3.36 0.02 6.98 0.00 -1.26 -4.82 121.76 124.15 2k46 s ALA 126 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2k46 s ALA 126 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2k46 s ALA 126 CO 0.00 0.55 -0.10 -1.58 0.00 0.00 0.00 175.76 174.63 2k46 s HIS 127 N -0.77 2.78 -0.05 0.00 2.46 -0.92 -4.92 115.29 113.87 2k46 s HIS 127 Ca 0.12 -0.11 -0.05 0.00 0.47 0.00 0.00 55.06 55.49 2k46 s HIS 127 Cb -0.12 -1.56 0.01 0.00 -0.13 0.00 0.00 32.58 30.79 2k46 s HIS 127 CO 0.02 0.34 0.14 0.34 -2.47 0.00 0.00 174.74 173.11 2k46 s ASP 128 N -1.47 -0.14 -0.05 9.88 -1.08 -1.26 -1.03 116.67 121.53 2k46 s ASP 128 Ca 0.17 0.26 0.04 0.00 -0.52 0.00 0.00 52.55 52.49 2k46 s ASP 128 Cb -0.11 0.28 -0.00 0.00 -1.46 0.00 0.00 42.92 41.63 2k46 s ASP 128 CO 0.07 -0.06 -0.18 -1.61 0.52 0.00 0.00 175.17 173.91 2k46 s GLU 129 N 0.00 1.99 -0.23 4.34 0.41 -1.02 -5.00 118.70 119.19 2k46 s GLU 129 Ca -0.01 -0.64 -0.01 0.00 -0.41 0.00 0.00 54.97 53.90 2k46 s GLU 129 Cb -0.01 -1.67 0.02 0.00 -1.78 0.00 0.00 34.13 30.69 2k46 s GLU 129 CO 0.00 0.21 -0.08 0.42 -0.49 0.00 0.00 175.26 175.33 2k46 s ILE 130 N 0.15 2.79 -0.51 -1.63 1.01 -1.26 -2.71 121.20 119.04 2k46 s ILE 130 Ca -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2k46 s ILE 130 Cb -0.13 -2.37 0.14 0.00 0.01 0.00 0.00 42.46 40.11 2k46 s ILE 130 CO 0.03 0.27 0.29 -0.63 0.00 0.00 0.00 174.94 174.91 2k46 s ILE 131 N 1.33 2.08 0.39 2.92 1.01 -0.98 -5.02 121.20 122.94 2k46 s ILE 131 Ca 0.01 -3.16 -0.27 0.00 0.00 0.00 0.00 60.65 57.24 2k46 s ILE 131 Cb -0.16 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.78 2k46 s ILE 131 CO -0.06 -0.89 1.34 -2.84 0.00 0.00 0.00 174.94 172.50 2k46 s PRO 132 N -0.23 4.02 0.11 2.79 0.02 -1.26 -2.69 135.00 137.77 2k46 s PRO 132 Ca 0.19 2.26 0.04 0.00 0.02 0.00 0.00 61.00 63.51 2k46 s PRO 132 Cb -0.20 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 2k46 s PRO 132 CO -0.04 -0.48 -0.11 0.42 -0.33 0.00 0.00 177.00 176.46 2k46 s ILE 133 N -1.21 1.05 -0.24 2.83 1.01 0.82 -4.34 121.20 121.12 2k46 s ILE 133 Ca 0.55 -1.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 2k46 s ILE 133 Cb -0.40 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 40.68 2k46 s ILE 133 CO 0.52 -0.56 0.03 -0.94 0.00 0.00 0.00 174.94 174.00 2k46 s SER 134 N -2.54 3.52 -0.22 3.58 1.04 -1.06 -1.36 113.70 116.66 2k46 s SER 134 Ca 0.08 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.25 2k46 s SER 134 Cb -0.03 -0.84 -0.03 0.00 0.10 0.00 0.00 66.02 65.23 2k46 s SER 134 CO 0.01 -0.32 0.06 -0.63 0.98 0.00 0.00 173.24 173.33 2k46 s ILE 135 N 1.66 4.46 -0.08 -1.02 1.01 -0.53 -1.96 121.20 124.75 2k46 s ILE 135 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2k46 s ILE 135 Cb -0.18 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2k46 s ILE 135 CO -0.13 0.39 0.24 -0.54 0.00 0.00 0.00 174.94 174.91 2k46 s LYS 136 N 1.05 0.35 -1.93 2.79 -0.14 -0.81 -1.76 119.74 119.30 2k46 s LYS 136 Ca 0.04 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 2k46 s LYS 136 Cb -0.14 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 2k46 s LYS 136 CO 0.03 -0.06 0.00 1.17 -0.76 0.00 0.00 175.35 175.73 2k46 n LYS 137 N 2.61 -1.48 -0.90 1.68 4.81 -1.26 -1.25 118.16 122.37 2k46 n LYS 137 Ca -0.15 1.11 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2k46 n LYS 137 Cb 0.58 -5.48 0.00 0.00 0.02 0.00 0.00 35.03 30.14 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 138 N -0.25 0.71 3.33 3.14 0.00 -1.26 -5.06 105.19 105.80 2k46 n GLY 138 Ca -0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.92 1.25 -0.18 1.61 1.02 -0.38 -2.56 119.74 118.59 2k46 s LYS 139 Ca 0.00 -1.30 -0.04 0.00 0.02 0.00 0.00 55.97 54.66 2k46 s LYS 139 Cb 0.00 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2k46 s LYS 139 CO 0.00 0.34 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.57 2k46 s LEU 140 N -2.21 3.14 -0.29 3.17 0.20 -0.49 -1.91 118.68 120.29 2k46 s LEU 140 Ca 0.12 -0.21 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 2k46 s LEU 140 Cb -0.09 -1.77 0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2k46 s LEU 140 CO 0.06 0.10 -0.01 -0.55 -0.29 0.00 0.00 176.35 175.66 2k46 s SER 141 N 0.75 4.80 -0.44 3.68 0.15 -0.83 -1.34 113.70 120.48 2k46 s SER 141 Ca -0.01 -1.19 -0.11 0.00 0.70 0.00 0.00 55.95 55.34 2k46 s SER 141 Cb -0.14 -1.71 0.08 0.00 -1.71 0.00 0.00 66.02 62.54 2k46 s SER 141 CO 0.02 -0.24 0.31 0.54 1.20 0.00 0.00 173.24 175.07 2k46 s VAL 142 N 1.27 4.48 0.00 4.45 0.11 -0.38 -2.55 120.40 127.78 2k46 s VAL 142 Ca -0.04 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 2k46 s VAL 142 Cb -0.19 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2k46 s VAL 142 CO -0.01 -0.56 0.00 0.00 -3.33 0.00 0.00 175.10 171.19 2k46 n GLN 143 N 4.99 0.00 -0.52 1.54 3.00 -1.26 -1.28 117.38 123.85 2k46 n GLN 143 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2k46 n GLN 143 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.76 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 3.05 2.99 1.08 0.00 -1.26 -5.04 105.19 106.01 2k46 n GLY 144 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.66 0.83 -0.08 1.61 2.56 -0.41 -5.14 118.70 116.41 2k46 s GLU 145 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.97 54.91 2k46 s GLU 145 Cb 0.23 -0.79 -0.04 0.00 2.00 0.00 0.00 34.13 35.54 2k46 s GLU 145 CO -0.03 0.11 0.04 0.54 -0.56 0.00 0.00 175.26 175.36 2k46 s VAL 146 N 0.15 4.61 -0.29 3.70 0.11 -1.26 -1.25 120.40 126.17 2k46 s VAL 146 Ca -0.02 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 2k46 s VAL 146 Cb -0.07 -2.98 0.12 0.00 -1.53 0.00 0.00 36.38 31.91 2k46 s VAL 146 CO 0.00 0.57 0.67 -0.44 -3.33 0.00 0.00 175.10 172.56 2k46 s SER 147 N -1.05 -1.09 0.39 3.54 0.01 -0.45 -5.02 113.70 110.03 2k46 s SER 147 Ca 0.15 1.55 -0.25 0.00 1.31 0.00 0.00 55.95 58.71 2k46 s SER 147 Cb -0.12 2.05 -0.12 0.00 0.21 0.00 0.00 66.02 68.04 2k46 s SER 147 CO 0.04 -0.22 0.93 0.35 0.41 0.00 0.00 173.24 174.75 2k46 n THR 148 N 5.13 2.23 -2.66 1.44 -2.24 -1.26 -1.40 114.28 115.52 2k46 n THR 148 Ca -0.14 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 2k46 n THR 148 Cb 0.52 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2k46 s PHE 149 N -1.25 3.38 -0.62 4.78 5.36 -1.06 -4.60 117.98 123.96 2k46 s PHE 149 Ca 0.62 1.49 -0.04 0.00 -0.96 0.00 0.00 56.93 58.04 2k46 s PHE 149 Cb -0.60 -3.25 0.16 0.00 -0.34 0.00 0.00 43.02 38.99 2k46 s PHE 149 CO 0.58 -0.45 0.45 -0.08 -1.46 0.00 0.00 175.22 174.26 2k46 s THR 150 N 2.79 3.87 0.00 0.12 -1.32 -1.26 -4.88 115.64 114.97 2k46 s THR 150 Ca 0.46 -2.81 0.00 0.00 -1.21 0.00 0.00 61.69 58.13 2k46 s THR 150 Cb -0.16 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2k46 s THR 150 CO 0.11 -0.88 0.00 0.61 -2.21 0.00 0.00 174.62 172.25 2k46 n GLY 151 N 3.65 0.00 3.49 6.08 0.00 -1.26 -4.77 105.19 112.39 2k46 n GLY 151 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2k46 n GLY 151 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 152 N 0.00 1.09 -0.01 1.61 2.36 -1.26 -3.95 119.74 119.59 2k46 s LYS 152 Ca 0.00 0.11 -0.24 0.00 -2.55 0.00 0.00 55.97 53.28 2k46 s LYS 152 Cb 0.00 0.51 -0.05 0.00 -1.05 0.00 0.00 37.83 37.25 2k46 s LYS 152 CO 0.00 -0.37 0.74 -1.17 1.55 0.00 0.00 175.35 176.10 2k46 s LEU 153 N -1.50 4.39 -0.18 5.43 0.20 0.63 -4.92 118.68 122.73 2k46 s LEU 153 Ca -0.09 1.33 0.01 0.00 0.69 0.00 0.00 54.13 56.08 2k46 s LEU 153 Cb -0.00 -3.17 0.03 0.00 -0.43 0.00 0.00 46.19 42.62 2k46 s LEU 153 CO 0.05 -0.04 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.38 2k46 s SER 154 N 0.32 3.15 -0.31 3.68 0.15 -1.26 -1.03 113.70 118.41 2k46 s SER 154 Ca 0.38 -0.72 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 2k46 s SER 154 Cb -0.19 -1.31 -0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2k46 s SER 154 CO 0.21 -0.08 0.14 -0.69 1.20 0.00 0.00 173.24 174.02 2k46 s VAL 155 N 1.37 4.47 0.15 4.45 1.01 -1.06 0.61 120.40 131.41 2k46 s VAL 155 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2k46 s VAL 155 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2k46 s VAL 155 CO -0.10 0.08 0.08 -1.83 0.00 0.00 0.00 175.10 173.33 2k46 s GLU 156 N 1.59 1.01 0.02 2.72 4.04 -1.07 -1.63 118.70 125.39 2k46 s GLU 156 Ca 0.04 -1.50 -0.00 0.00 0.04 0.00 0.00 54.97 53.56 2k46 s GLU 156 Cb -0.17 0.25 -0.02 0.00 0.02 0.00 0.00 34.13 34.21 2k46 s GLU 156 CO 0.05 -0.30 -0.03 -0.59 -1.84 0.00 0.00 175.26 172.55 2k46 s PHE 157 N -4.08 0.31 0.03 4.83 -0.12 -1.07 -1.89 117.98 115.99 2k46 s PHE 157 Ca 0.29 -0.60 0.08 0.00 -0.05 0.00 0.00 56.93 56.65 2k46 s PHE 157 Cb 0.07 -0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 2k46 s PHE 157 CO 0.05 -0.21 -0.22 0.08 -0.05 0.00 0.00 175.22 174.87 2k46 s VAL 158 N -1.76 1.79 0.11 -2.49 1.01 -0.99 -2.80 120.40 115.27 2k46 s VAL 158 Ca -0.13 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.53 2k46 s VAL 158 Cb -0.08 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 2k46 s VAL 158 CO -0.02 0.29 0.47 -1.59 0.00 0.00 0.00 175.10 174.25 2k46 s LYS 159 N -1.09 3.86 0.02 2.72 0.00 -1.26 -2.03 119.74 121.97 2k46 s LYS 159 Ca 0.09 0.32 0.22 0.00 0.00 0.00 0.00 55.97 56.60 2k46 s LYS 159 Cb -0.09 -2.97 -0.09 0.00 0.00 0.00 0.00 37.83 34.69 2k46 s LYS 159 CO 0.01 0.52 0.90 0.41 0.00 0.00 0.00 175.35 177.19 2k46 n GLY 160 N 0.86 -1.12 0.02 0.59 0.00 -1.25 -4.88 105.19 99.40 2k46 n GLY 160 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k46 n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k46 n TYR 161 N -1.90 -0.00 -3.59 1.61 4.01 -1.26 -5.07 117.16 110.95 2k46 n TYR 161 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 2k46 n TYR 161 Cb 0.43 0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 2k46 n TYR 161 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2k46 s TYR 162 N -0.01 -0.32 -0.29 -0.72 2.02 -1.26 -5.05 117.35 111.72 2k46 s TYR 162 Ca 0.00 0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.79 2k46 s TYR 162 Cb 0.00 0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.88 2k46 s TYR 162 CO 0.00 -0.68 0.19 -0.25 -1.57 0.00 0.00 175.55 173.23 2k46 n ASP 163 N 0.04 -7.58 -4.26 2.29 8.00 -1.26 -4.96 116.55 108.81 2k46 n ASP 163 Ca -0.17 0.93 -0.30 0.00 0.71 0.00 0.00 54.79 55.96 2k46 n ASP 163 Cb 0.62 -4.42 0.22 0.00 -0.02 0.00 0.00 41.12 37.52 2k46 n ASP 163 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k46 n ASN 164 N 0.51 -2.32 -4.41 -2.24 2.85 -1.26 -4.61 115.26 103.77 2k46 n ASN 164 Ca 0.02 -0.23 -0.48 0.00 -0.11 0.00 0.00 54.58 53.78 2k46 n ASN 164 Cb 0.25 -1.07 -0.13 0.00 1.24 0.00 0.00 39.78 40.06 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2k46 n PRO 165 N -3.65 0.08 0.24 1.20 -0.02 -1.26 -4.83 135.00 126.77 2k46 n PRO 165 Ca 0.02 0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 2k46 n PRO 165 Cb 0.57 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 11.28 -0.61 -5.89 -0.52 3.64 -1.81 -3.43 116.57 119.22 2k46 h LYS 166 Ca -0.08 0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.75 2k46 h LYS 166 Cb 1.35 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 33.24 2k46 h LYS 166 CO 1.26 -0.41 -0.13 0.08 -2.27 0.00 0.00 179.45 177.98 2k46 s VAL 167 N -4.48 5.07 -0.02 2.00 1.01 -1.00 -4.03 120.40 118.95 2k46 s VAL 167 Ca -0.10 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2k46 s VAL 167 Cb 0.01 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2k46 s VAL 167 CO 0.30 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.74 2k46 n ALA 169 N 3.08 3.37 -1.58 0.00 0.00 0.09 -0.69 120.51 124.77 2k46 n ALA 169 Ca -0.16 -3.03 -0.56 0.00 0.00 0.00 0.00 53.44 49.69 2k46 n ALA 169 Cb 0.55 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.46 1.15 -3.61 0.00 7.94 0.69 -2.97 117.00 119.74 2k46 n LEU 170 Ca 0.18 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 56.03 2k46 n LEU 170 Cb 0.91 -1.08 -0.15 0.00 0.53 0.00 0.00 43.42 43.63 2k46 n LEU 170 CO 0.09 -1.25 -0.25 0.12 -1.11 0.00 0.00 177.39 174.99 2k46 s PHE 171 N 0.82 -0.13 -0.10 1.96 5.36 -0.69 0.05 117.98 125.24 2k46 s PHE 171 Ca 0.89 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.23 2k46 s PHE 171 Cb -1.11 -0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.19 2k46 s PHE 171 CO 0.55 -0.40 -0.19 -1.50 -1.46 0.00 0.00 175.22 172.22 2k46 s ILE 172 N 2.27 2.54 0.27 3.12 2.07 -0.20 -1.68 121.20 129.59 2k46 s ILE 172 Ca 0.04 -0.86 0.06 0.00 -1.41 0.00 0.00 60.65 58.48 2k46 s ILE 172 Cb -0.14 -2.01 -0.06 0.00 0.13 0.00 0.00 42.46 40.39 2k46 s ILE 172 CO -0.08 0.55 -0.05 0.00 -1.91 0.00 0.00 174.94 173.45 2k46 s MET 173 N 0.21 1.53 0.16 3.50 0.23 -1.08 -2.79 119.30 121.07 2k46 s MET 173 Ca -0.12 -1.78 0.10 0.00 -1.03 0.00 0.00 55.69 52.87 2k46 s MET 173 Cb -0.16 -1.08 -0.04 0.00 -1.53 0.00 0.00 34.83 32.02 2k46 s MET 173 CO 0.06 0.01 -0.24 -1.59 -2.03 0.00 0.00 175.02 171.24 2k46 s LYS 174 N -3.75 1.40 0.00 3.16 -2.85 -1.10 -2.41 119.74 114.20 2k46 s LYS 174 Ca 0.30 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.85 2k46 s LYS 174 Cb 0.04 -1.72 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 2k46 s LYS 174 CO 0.12 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.36 2k46 n GLY 175 N 0.54 2.78 0.00 0.59 0.00 0.85 -4.79 105.19 105.16 2k46 n GLY 175 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.96 2.61 -2.24 0.35 -2.80 114.28 113.16 2k46 n THR 176 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2k46 n THR 176 Cb 0.00 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.59 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 n ALA 177 N -0.12 3.10 -0.17 6.98 0.00 -1.26 -4.14 120.51 124.90 2k46 n ALA 177 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 2k46 n ALA 177 Cb 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.23 2k46 n ALA 177 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k46 h ASP 178 N 0.00 0.59 -0.60 0.00 1.82 -1.99 -2.73 116.42 113.52 2k46 h ASP 178 Ca 0.00 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2k46 h ASP 178 Cb 0.53 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 2k46 h ASP 178 CO 0.00 0.46 0.33 -0.78 -1.61 0.00 0.00 179.24 177.63 2k46 h ASP 179 N 0.67 0.75 -0.32 2.28 1.82 -1.95 -3.42 116.42 116.25 2k46 h ASP 179 Ca 0.18 -0.10 -0.56 0.00 -0.39 0.00 0.00 57.03 56.16 2k46 h ASP 179 Cb -0.03 -0.19 -0.06 0.00 0.68 0.00 0.00 39.33 39.73 2k46 h ASP 179 CO -0.04 0.63 1.63 0.52 -1.61 0.00 0.00 179.24 180.38 2k46 n VAL 180 N -4.57 0.01 -1.60 2.25 0.31 -1.03 -4.81 118.33 108.89 2k46 n VAL 180 Ca 0.04 -0.13 -0.50 0.00 -0.01 0.00 0.00 64.34 63.74 2k46 n VAL 180 Cb 0.09 -0.92 -0.05 0.00 -0.91 0.00 0.00 33.84 32.05 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k46 n PRO 181 N 8.35 1.28 -4.11 5.55 -0.02 -1.26 -4.99 135.00 139.81 2k46 n PRO 181 Ca 0.58 0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 62.36 2k46 n PRO 181 Cb 0.11 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.08 0.42 -0.15 -0.52 -1.94 -1.26 -5.14 119.30 110.80 2k46 s MET 182 Ca 0.78 -0.13 -0.01 0.00 -1.71 0.00 0.00 55.69 54.62 2k46 s MET 182 Cb -0.87 -0.43 0.04 0.00 2.01 0.00 0.00 34.83 35.58 2k46 s MET 182 CO 0.49 0.05 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.03 2k46 s LEU 183 N 0.14 1.18 0.48 -0.03 1.43 -1.26 -5.13 118.68 115.48 2k46 s LEU 183 Ca -0.01 -0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 52.31 2k46 s LEU 183 Cb -0.05 -0.68 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 2k46 s LEU 183 CO -0.00 -0.22 1.38 0.00 0.23 0.00 0.00 176.35 177.74 2k46 s GLN 184 N 1.80 3.53 0.27 1.70 -2.07 -1.26 -4.89 119.66 118.74 2k46 s GLN 184 Ca 0.02 2.31 -0.27 0.00 -1.82 0.00 0.00 55.36 55.59 2k46 s GLN 184 Cb -0.15 -2.52 -0.15 0.00 -1.09 0.00 0.00 33.01 29.10 2k46 s GLN 184 CO -0.07 -0.90 0.69 -2.30 -1.32 0.00 0.00 175.29 171.38 2k46 n PRO 185 N -0.45 0.58 -4.19 9.60 -0.02 -1.26 -5.00 135.00 134.26 2k46 n PRO 185 Ca 0.07 0.21 -0.18 0.00 -2.02 0.00 0.00 63.50 61.57 2k46 n PRO 185 Cb 0.43 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.12 0.65 0.00 6.00 2.46 -1.26 -5.12 115.29 116.90 2k46 s HIS 186 Ca 0.62 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.00 2k46 s HIS 186 Cb -0.78 -0.52 0.00 0.00 -0.13 0.00 0.00 32.58 31.14 2k46 s HIS 186 CO 0.58 -0.11 0.00 -0.35 -2.47 0.00 0.00 174.74 172.40 2k46 n PRO 187 N 3.55 0.00 0.00 2.88 -0.04 -1.26 -5.08 135.00 135.05 2k46 n PRO 187 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k46 n PRO 187 Cb 0.54 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 1.72 0.33 3.82 0.55 0.00 -1.26 -5.09 105.19 105.25 2k46 n GLY 188 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 4.22 0.00 0.99 1.43 -1.26 -5.38 118.68 118.69 2k46 s LEU 189 Ca 0.00 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2k46 s LEU 189 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2k46 s LEU 189 CO 0.00 -0.08 0.00 1.21 0.23 0.00 0.00 176.35 177.71