#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 -0.60 -0.10 4.61 0.00 -1.26 -4.86 120.51 118.30 2k46 n ALA 2 Ca 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2k46 n ALA 2 Cb 0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 2k46 n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2k46 n MET 3 N -2.80 0.58 0.00 0.00 0.00 -1.26 -4.82 117.12 108.81 2k46 n MET 3 Ca -0.21 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.04 2k46 n MET 3 Cb 0.65 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 32.13 2k46 n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2k46 n SER 4 N -4.35 0.00 -1.37 6.12 2.88 -1.26 -5.02 113.62 110.62 2k46 n SER 4 Ca -0.33 -0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 56.15 2k46 n SER 4 Cb 0.72 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k46 n GLY 5 N 0.00 -0.03 0.14 0.46 0.00 -1.26 -4.93 105.19 99.56 2k46 n GLY 5 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.23 0.51 -2.12 0.99 5.85 -1.91 -3.16 115.31 115.23 2k46 h LEU 6 Ca -0.26 -0.77 0.02 0.00 0.84 0.00 0.00 57.88 57.70 2k46 h LEU 6 Cb 1.19 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2k46 h LEU 6 CO 0.30 1.22 0.30 0.00 -0.34 0.00 0.00 178.44 179.92 2k46 h ALA 7 N 0.30 1.43 0.00 1.25 0.00 -1.77 0.31 119.26 120.78 2k46 h ALA 7 Ca -0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k46 h ALA 7 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k46 h ALA 7 CO 0.12 -0.33 -0.26 0.22 0.00 0.00 0.00 179.25 179.00 2k46 h ASP 8 N 0.00 0.00 0.14 0.00 1.82 -1.89 -3.27 116.42 113.21 2k46 h ASP 8 Ca 0.03 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.47 2k46 h ASP 8 Cb 0.63 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.61 2k46 h ASP 8 CO -0.00 0.26 -2.06 0.29 -1.61 0.00 0.00 179.24 176.12 2k46 n LYS 9 N -3.23 0.67 -1.41 0.28 4.76 0.07 -4.98 118.16 114.31 2k46 n LYS 9 Ca 0.02 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 2k46 n LYS 9 Cb 0.56 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.60 1.49 0.00 -0.18 3.14 -1.02 -2.53 118.33 116.64 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 0.88 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 -0.76 0.00 -3.64 1.55 -5.35 -1.17 -4.83 119.36 105.16 2k46 n ILE 11 Ca 0.12 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.54 2k46 n ILE 11 Cb 0.38 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 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 -0.43 -0.26 -0.05 4.28 -0.00 -1.11 -5.09 118.94 116.28 2k46 s TRP 12 Ca 0.00 0.60 -0.31 0.00 -0.00 0.00 0.00 56.10 56.39 2k46 s TRP 12 Cb 0.00 0.43 0.07 0.00 -0.00 0.00 0.00 33.47 33.97 2k46 s TRP 12 CO 0.00 -0.14 0.69 0.00 -0.00 0.00 0.00 176.95 177.50 2k46 s ALA 13 N -0.06 -1.77 -0.11 5.86 0.00 -1.26 -1.08 121.76 123.34 2k46 s ALA 13 Ca 0.05 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 2k46 s ALA 13 Cb -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2k46 s ALA 13 CO -0.10 -0.37 0.25 0.08 0.00 0.00 0.00 175.76 175.62 2k46 s VAL 14 N -1.22 -0.04 -0.65 0.00 1.01 -0.72 -1.81 120.40 116.95 2k46 s VAL 14 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2k46 s VAL 14 Cb -0.00 -0.39 0.16 0.00 0.00 0.00 0.00 36.38 36.15 2k46 s VAL 14 CO 0.09 0.06 0.46 0.21 0.00 0.00 0.00 175.10 175.92 2k46 s ASN 15 N 1.27 5.06 -0.40 3.32 3.04 -1.26 0.44 114.94 126.41 2k46 s ASN 15 Ca -0.09 -3.19 -0.27 0.00 0.04 0.00 0.00 52.86 49.35 2k46 s ASN 15 Cb -0.10 -1.78 -0.05 0.00 -1.54 0.00 0.00 41.25 37.78 2k46 s ASN 15 CO -0.09 -0.26 2.22 0.00 -3.04 0.00 0.00 177.10 175.93 2k46 s ALA 16 N -0.54 2.17 0.00 1.71 0.00 0.56 -2.92 121.76 122.73 2k46 s ALA 16 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2k46 s ALA 16 Cb -0.17 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2k46 s ALA 16 CO -0.06 -3.68 0.00 0.41 0.00 0.00 0.00 175.76 172.43 2k46 n GLY 17 N 5.83 0.14 0.00 0.00 0.00 -1.26 -3.24 105.19 106.66 2k46 n GLY 17 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 4.96 3.29 -0.02 0.00 -1.15 -2.59 105.19 109.69 2k46 n GLY 18 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 4.33 0.34 0.00 1.61 2.02 -1.26 -4.46 118.70 121.27 2k46 s GLU 19 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2k46 s GLU 19 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2k46 s GLU 19 CO 0.00 -0.25 0.00 0.43 0.02 0.00 0.00 175.26 175.46 2k46 n SER 20 N 5.38 -0.58 -3.96 -0.19 7.64 -1.25 -4.91 113.62 115.76 2k46 n SER 20 Ca -0.09 0.34 -0.16 0.00 1.01 0.00 0.00 58.87 59.97 2k46 n SER 20 Cb 0.49 -0.52 -0.15 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.00 0.51 -0.41 1.43 2.46 -1.08 -4.91 115.29 113.29 2k46 s HIS 21 Ca 0.00 -0.10 -0.06 0.00 0.47 0.00 0.00 55.06 55.37 2k46 s HIS 21 Cb 0.00 -0.35 0.09 0.00 -0.13 0.00 0.00 32.58 32.20 2k46 s HIS 21 CO 0.00 -0.02 0.22 0.54 -2.47 0.00 0.00 174.74 173.01 2k46 s VAL 22 N -0.05 3.73 0.77 0.89 0.11 -1.26 -0.35 120.40 124.25 2k46 s VAL 22 Ca 0.01 -1.71 -0.13 0.00 -2.93 0.00 0.00 61.98 57.22 2k46 s VAL 22 Cb -0.03 -3.39 0.06 0.00 -1.53 0.00 0.00 36.38 31.49 2k46 s VAL 22 CO -0.00 -0.58 1.15 -0.62 -3.33 0.00 0.00 175.10 171.72 2k46 s ASP 23 N 2.00 4.08 0.23 3.54 -1.08 -0.09 -4.78 116.67 120.56 2k46 s ASP 23 Ca 0.04 2.14 -0.15 0.00 -0.52 0.00 0.00 52.55 54.07 2k46 s ASP 23 Cb -0.23 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 38.93 2k46 s ASP 23 CO -0.01 -2.33 1.58 -0.37 0.52 0.00 0.00 175.17 174.56 2k46 h VAL 24 N -0.82 0.14 -0.03 1.11 -1.51 -1.94 1.05 116.25 114.25 2k46 h VAL 24 Ca -0.45 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2k46 h VAL 24 Cb 1.27 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2k46 h VAL 24 CO 0.49 0.00 0.16 0.45 -1.23 0.00 0.00 177.57 177.44 2k46 h HIS 25 N -0.05 0.00 0.00 5.19 3.86 -2.02 -3.43 115.15 118.71 2k46 h HIS 25 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k46 h HIS 25 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k46 h HIS 25 CO -0.69 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.51 2k46 n GLY 26 N -1.18 1.50 3.41 2.45 0.00 0.36 -3.76 105.19 107.97 2k46 n GLY 26 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 4.70 -0.15 -0.61 -1.09 -1.10 -4.40 121.20 116.54 2k46 s ILE 27 Ca 0.00 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.64 2k46 s ILE 27 Cb 0.00 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2k46 s ILE 27 CO 0.00 -0.14 0.22 -2.28 -1.23 0.00 0.00 174.94 171.51 2k46 s HIS 28 N 1.59 3.49 -0.12 3.97 5.65 -1.25 -0.91 115.29 127.71 2k46 s HIS 28 Ca 0.03 0.53 -0.11 0.00 0.25 0.00 0.00 55.06 55.76 2k46 s HIS 28 Cb -0.18 -2.20 -0.05 0.00 -1.18 0.00 0.00 32.58 28.97 2k46 s HIS 28 CO 0.07 0.38 0.24 -0.47 -0.65 0.00 0.00 174.74 174.31 2k46 s TYR 29 N 0.04 3.55 -0.47 3.88 5.04 0.53 -4.20 117.35 125.71 2k46 s TYR 29 Ca 0.14 0.61 -0.21 0.00 -2.44 0.00 0.00 57.07 55.17 2k46 s TYR 29 Cb -0.12 -2.17 0.04 0.00 0.35 0.00 0.00 41.96 40.05 2k46 s TYR 29 CO 0.03 0.49 0.69 -0.98 -1.34 0.00 0.00 175.55 174.43 2k46 s ARG 30 N -0.34 3.25 0.00 4.97 1.70 -0.75 -2.65 118.95 125.13 2k46 s ARG 30 Ca 0.16 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 2k46 s ARG 30 Cb -0.13 -4.01 0.00 0.00 -0.57 0.00 0.00 34.95 30.24 2k46 s ARG 30 CO 0.05 -1.14 0.00 1.17 -1.08 0.00 0.00 175.30 174.30 2k46 n LYS 31 N 6.43 0.00 0.00 3.89 4.81 -1.26 -3.87 118.16 128.16 2k46 n LYS 31 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2k46 n LYS 31 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 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 0.00 -1.06 3.14 8.00 -1.26 -4.73 116.55 120.64 2k46 n ASP 32 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2k46 n ASP 32 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.00 2.84 -0.09 -0.24 -0.04 -1.25 -3.88 135.00 132.35 2k46 n PRO 33 Ca 0.00 -2.42 -0.08 0.00 -0.04 0.00 0.00 63.50 60.95 2k46 n PRO 33 Cb 0.00 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 2k46 n PRO 33 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k46 h LEU 34 N 3.29 0.29 -5.08 1.53 5.85 -1.87 -3.38 115.31 115.94 2k46 h LEU 34 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 2k46 h LEU 34 Cb 0.91 -0.06 -0.27 0.00 0.37 0.00 0.00 40.66 41.61 2k46 h LEU 34 CO 0.01 0.21 -0.74 -0.62 -0.34 0.00 0.00 178.44 176.97 2k46 n GLU 35 N -4.92 1.32 -0.87 1.25 1.02 -1.26 -4.84 120.64 112.33 2k46 n GLU 35 Ca -0.01 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2k46 n GLU 35 Cb 0.05 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k46 n GLY 36 N -0.63 0.70 2.79 0.62 0.00 -1.26 -4.88 105.19 102.53 2k46 n GLY 36 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.99 1.75 -3.82 1.61 1.74 -1.25 -4.86 116.66 109.83 2k46 n ARG 37 Ca 0.00 -1.49 -0.36 0.00 -0.77 0.00 0.00 57.85 55.23 2k46 n ARG 37 Cb 0.01 -2.55 -0.12 0.00 -1.02 0.00 0.00 32.46 28.78 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 4.01 4.42 0.00 1.55 -7.23 -1.25 -4.50 120.40 117.41 2k46 s VAL 38 Ca 0.42 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2k46 s VAL 38 Cb 0.11 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.99 2k46 s VAL 38 CO 0.02 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 2k46 n GLY 39 N 4.64 1.97 3.82 2.32 0.00 -1.26 -5.13 105.19 111.56 2k46 n GLY 39 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2k46 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k46 s ARG 40 N -0.32 1.58 -0.30 1.61 1.70 -1.26 -5.15 118.95 116.82 2k46 s ARG 40 Ca 0.00 -0.89 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 2k46 s ARG 40 Cb 0.00 0.53 0.19 0.00 -0.57 0.00 0.00 34.95 35.10 2k46 s ARG 40 CO 0.00 -0.73 0.85 0.00 -1.08 0.00 0.00 175.30 174.34 2k46 s ALA 41 N -3.51 -3.35 -1.09 7.88 0.00 -1.26 -4.84 121.76 115.59 2k46 s ALA 41 Ca 0.12 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 2k46 s ALA 41 Cb -0.04 -2.72 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2k46 s ALA 41 CO 0.06 -1.99 1.94 0.43 0.00 0.00 0.00 175.76 176.19 2k46 n SER 42 N 5.21 3.28 -1.46 0.00 7.64 -1.25 -4.74 113.62 122.30 2k46 n SER 42 Ca 0.08 -2.75 -0.01 0.00 1.01 0.00 0.00 58.87 57.20 2k46 n SER 42 Cb 0.56 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N 9.89 5.12 -4.69 6.43 5.75 -1.26 -4.41 116.55 133.38 2k46 n ASP 43 Ca 0.48 -2.40 -0.54 0.00 -0.01 0.00 0.00 54.79 52.33 2k46 n ASP 43 Cb 0.43 -1.05 -0.06 0.00 -1.03 0.00 0.00 41.12 39.41 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N 1.31 2.09 -3.39 2.11 9.36 -1.26 -1.22 117.16 126.16 2k46 n TYR 44 Ca 0.02 0.37 -0.17 0.00 3.32 0.00 0.00 57.90 61.44 2k46 n TYR 44 Cb 0.51 -2.51 0.08 0.00 -0.63 0.00 0.00 39.34 36.78 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 4.06 -0.69 0.27 2.98 0.00 -1.26 -4.81 105.19 105.74 2k46 n GLY 45 Ca 0.24 0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.58 0.00 0.00 1.61 4.05 -1.57 -3.41 114.93 114.03 2k46 h MET 46 Ca -0.60 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.71 2k46 h MET 46 Cb 1.33 0.00 0.06 0.00 -0.80 0.00 0.00 31.60 32.19 2k46 h MET 46 CO 0.48 0.00 -0.05 0.36 0.23 0.00 0.00 176.91 177.93 2k46 n LYS 47 N -2.54 -2.80 -3.36 0.39 2.85 -1.26 -4.45 118.16 106.98 2k46 n LYS 47 Ca -0.01 -0.41 -0.17 0.00 -1.05 0.00 0.00 58.31 56.66 2k46 n LYS 47 Cb 0.38 -0.54 0.08 0.00 -0.65 0.00 0.00 35.03 34.30 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 0.00 -4.76 -4.76 -5.58 4.77 -1.26 -4.95 117.00 100.45 2k46 n LEU 48 Ca 0.04 -0.69 -0.38 0.00 -0.03 0.00 0.00 56.01 54.95 2k46 n LEU 48 Cb 0.17 -3.13 0.01 0.00 -2.33 0.00 0.00 43.42 38.15 2k46 n LEU 48 CO 0.11 0.24 0.93 -2.84 -1.33 0.00 0.00 177.39 174.51 2k46 s PRO 49 N -4.93 3.52 0.41 3.23 0.02 -1.26 -4.94 135.00 131.05 2k46 s PRO 49 Ca 0.24 2.07 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 2k46 s PRO 49 Cb -0.04 -2.41 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 2k46 s PRO 49 CO 0.74 -0.83 1.44 -0.89 -0.33 0.00 0.00 177.00 177.13 2k46 n ILE 50 N -0.61 2.36 -0.07 2.83 -0.00 -1.26 -4.81 119.36 117.80 2k46 n ILE 50 Ca 0.08 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.13 2k46 n ILE 50 Cb 0.46 -1.87 -0.12 0.00 -0.00 0.00 0.00 39.64 38.10 2k46 n ILE 50 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2k46 h LEU 51 N 2.60 0.10 -2.81 1.39 7.12 -1.92 -3.37 115.31 118.41 2k46 h LEU 51 Ca -0.50 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 56.81 2k46 h LEU 51 Cb 1.26 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2k46 h LEU 51 CO 0.62 1.43 0.00 0.54 -0.13 0.00 0.00 178.44 180.90 2k46 n ARG 52 N -4.33 0.87 -3.72 1.25 3.00 -1.26 -4.75 116.66 107.72 2k46 n ARG 52 Ca -0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.45 2k46 n ARG 52 Cb 0.70 -1.06 -0.10 0.00 0.00 0.00 0.00 32.46 32.00 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 1.72 -0.44 0.56 0.55 0.15 -1.26 -4.89 113.70 110.09 2k46 s SER 53 Ca 0.00 0.82 -0.20 0.00 0.70 0.00 0.00 55.95 57.27 2k46 s SER 53 Cb 0.00 0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 65.11 2k46 s SER 53 CO 0.00 -0.17 1.21 0.21 1.20 0.00 0.00 173.24 175.68 2k46 s ASN 54 N 0.12 5.40 0.29 5.45 2.47 -1.26 -4.60 114.94 122.81 2k46 s ASN 54 Ca -0.01 2.39 0.01 0.00 0.42 0.00 0.00 52.86 55.67 2k46 s ASN 54 Cb -0.03 -2.60 0.68 0.00 -1.45 0.00 0.00 41.25 37.85 2k46 s ASN 54 CO 0.01 -1.45 1.47 -2.65 -3.72 0.00 0.00 177.10 170.76 2k46 n PRO 55 N -1.34 -0.08 0.09 0.43 -0.02 -1.26 0.17 135.00 133.00 2k46 n PRO 55 Ca 0.12 1.41 -0.09 0.00 -2.02 0.00 0.00 63.50 62.92 2k46 n PRO 55 Cb 0.49 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.30 0.00 -0.52 4.39 -1.99 -2.90 114.58 113.26 2k46 h GLU 56 Ca 0.55 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.27 2k46 h GLU 56 Cb 1.11 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2k46 h GLU 56 CO -0.89 0.02 0.00 -0.40 -1.16 0.00 0.00 179.01 176.57 2k46 n ASP 57 N -4.98 0.13 -0.06 1.42 5.75 -0.94 -0.79 116.55 117.07 2k46 n ASP 57 Ca -0.07 0.53 -0.11 0.00 -0.01 0.00 0.00 54.79 55.14 2k46 n ASP 57 Cb 0.23 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 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 0.31 0.30 0.11 4.15 0.20 0.44 115.11 120.62 2k46 h GLN 58 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2k46 h GLN 58 Cb 0.24 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2k46 h GLN 58 CO 0.00 0.44 -0.42 0.28 -1.93 0.00 0.00 178.83 177.21 2k46 h VAL 59 N 0.12 0.16 0.00 2.39 2.07 -0.77 0.82 116.25 121.05 2k46 h VAL 59 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k46 h VAL 59 Cb 0.27 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2k46 h VAL 59 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 2k46 n LEU 60 N -5.49 0.58 -0.55 2.57 0.00 -1.16 -0.86 117.00 112.09 2k46 n LEU 60 Ca -0.09 0.73 0.06 0.00 0.00 0.00 0.00 56.01 56.70 2k46 n LEU 60 Cb 0.40 -0.75 0.11 0.00 0.00 0.00 0.00 43.42 43.18 2k46 n LEU 60 CO 0.24 -0.82 0.54 -1.22 0.00 0.00 0.00 177.39 176.13 2k46 n TYR 61 N -2.23 0.27 0.00 1.96 4.02 0.14 -4.60 117.16 116.71 2k46 n TYR 61 Ca -0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 2k46 n TYR 61 Cb 0.09 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 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 0.55 0.00 0.00 -0.72 7.27 0.27 -4.73 117.38 120.03 2k46 n GLN 62 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2k46 n GLN 62 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 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 0.00 1.69 -2.24 -1.15 -4.56 114.28 108.01 2k46 n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k46 n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k46 n GLU 64 N 0.00 0.00 -2.93 -0.78 0.28 -1.07 -4.75 120.64 111.40 2k46 n GLU 64 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2k46 n GLU 64 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 2k46 n GLU 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k46 n ARG 65 N -0.04 0.88 0.00 3.44 1.74 -1.22 -3.79 116.66 117.67 2k46 n ARG 65 Ca 0.00 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.75 2k46 n ARG 65 Cb 0.00 0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 2k46 n ARG 65 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2k46 n TYR 66 N -1.52 -2.58 -3.54 -1.55 4.02 -1.26 -4.94 117.16 105.79 2k46 n TYR 66 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.80 2k46 n TYR 66 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 2k46 n TYR 66 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k46 s ASN 67 N -1.56 -0.46 0.00 7.72 2.20 -1.26 -5.00 114.94 116.58 2k46 s ASN 67 Ca 0.00 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.75 2k46 s ASN 67 Cb 0.00 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 2k46 s ASN 67 CO 0.00 -1.03 0.00 1.21 -2.94 0.00 0.00 177.10 174.34 2k46 n GLU 68 N -0.38 0.00 -3.65 3.55 4.07 -1.26 -5.04 120.64 117.94 2k46 n GLU 68 Ca -0.14 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 56.93 2k46 n GLU 68 Cb 0.64 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.95 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 1.84 -0.28 -0.29 4.31 1.47 -1.26 -4.76 116.67 117.70 2k46 s ASP 69 Ca 0.00 0.48 -0.18 0.00 1.18 0.00 0.00 52.55 54.03 2k46 s ASP 69 Cb 0.00 0.83 0.03 0.00 -0.34 0.00 0.00 42.92 43.44 2k46 s ASP 69 CO 0.00 -0.08 0.36 -0.24 0.68 0.00 0.00 175.17 175.89 2k46 n SER 70 N 2.73 -6.66 -3.58 2.11 2.88 -1.21 -5.01 113.62 104.88 2k46 n SER 70 Ca -0.15 0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2k46 n SER 70 Cb 0.57 -2.89 -0.05 0.00 -0.75 0.00 0.00 64.21 61.08 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 -1.57 -0.39 0.00 0.66 -0.71 -1.09 -4.95 117.98 109.93 2k46 s PHE 71 Ca 0.19 0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 2k46 s PHE 71 Cb -0.03 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.11 2k46 s PHE 71 CO 0.59 -0.65 0.00 0.41 -1.34 0.00 0.00 175.22 174.22 2k46 n GLY 72 N 0.30 1.14 3.84 1.99 0.00 -1.26 -2.51 105.19 108.69 2k46 n GLY 72 Ca -0.18 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.40 2.17 -0.01 1.61 2.02 -0.72 -4.81 117.35 115.21 2k46 s TYR 73 Ca 0.00 -0.70 0.05 0.00 -0.37 0.00 0.00 57.07 56.05 2k46 s TYR 73 Cb 0.00 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2k46 s TYR 73 CO 0.00 -0.16 -0.16 0.16 -1.57 0.00 0.00 175.55 173.82 2k46 s ASP 74 N -4.11 1.93 -0.45 2.29 -4.77 -1.26 -2.32 116.67 107.97 2k46 s ASP 74 Ca 0.38 -0.30 0.02 0.00 -3.30 0.00 0.00 52.55 49.35 2k46 s ASP 74 Cb -0.00 -0.24 0.14 0.00 -1.09 0.00 0.00 42.92 41.73 2k46 s ASP 74 CO 0.22 0.20 0.26 -0.63 0.70 0.00 0.00 175.17 175.91 2k46 s ILE 75 N -0.35 1.42 0.26 2.11 1.09 0.86 -4.93 121.20 121.65 2k46 s ILE 75 Ca 0.06 -2.64 -0.31 0.00 -1.10 0.00 0.00 60.65 56.66 2k46 s ILE 75 Cb -0.07 -1.99 -0.13 0.00 -1.06 0.00 0.00 42.46 39.22 2k46 s ILE 75 CO -0.00 -0.92 1.47 -2.65 -0.10 0.00 0.00 174.94 172.74 2k46 n PRO 76 N 3.44 2.26 -4.30 2.79 -0.02 -1.26 -0.36 135.00 137.54 2k46 n PRO 76 Ca 0.10 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 2k46 n PRO 76 Cb 0.35 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 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 -0.04 1.65 0.00 4.25 1.01 -1.17 -4.89 121.20 122.01 2k46 s ILE 77 Ca 0.67 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2k46 s ILE 77 Cb -0.60 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2k46 s ILE 77 CO 0.49 -0.36 0.13 2.29 0.00 0.00 0.00 174.94 177.50 2k46 n LYS 78 N 0.36 0.00 -4.41 2.79 2.85 -1.26 -4.89 118.16 113.59 2k46 n LYS 78 Ca -0.14 -0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 56.79 2k46 n LYS 78 Cb 0.57 -0.32 -0.10 0.00 -0.65 0.00 0.00 35.03 34.54 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k46 s GLU 79 N 0.00 1.63 0.37 -1.58 2.02 -1.26 -5.17 118.70 114.71 2k46 s GLU 79 Ca 0.00 -1.92 0.04 0.00 0.02 0.00 0.00 54.97 53.11 2k46 s GLU 79 Cb 0.00 -0.58 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 2k46 s GLU 79 CO 0.00 -0.30 0.07 -1.21 0.02 0.00 0.00 175.26 173.85 2k46 s GLU 80 N -3.89 1.81 0.00 1.61 8.01 -1.26 -5.01 118.70 119.96 2k46 s GLU 80 Ca 0.34 -2.06 0.00 0.00 0.01 0.00 0.00 54.97 53.27 2k46 s GLU 80 Cb 0.07 -0.90 0.00 0.00 -4.31 0.00 0.00 34.13 28.99 2k46 s GLU 80 CO 0.15 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.54 2k46 n GLY 81 N -0.83 0.62 3.41 -1.39 0.00 -0.77 -4.83 105.19 101.41 2k46 n GLY 81 Ca -0.05 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.49 2.93 -0.19 1.61 2.02 -1.12 -1.64 118.70 120.81 2k46 s GLU 82 Ca 0.00 -1.16 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 2k46 s GLU 82 Cb 0.00 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 2k46 s GLU 82 CO 0.00 -0.85 0.37 0.71 0.02 0.00 0.00 175.26 175.52 2k46 s TYR 83 N 1.64 3.39 -0.34 1.61 1.51 -0.48 0.01 117.35 124.69 2k46 s TYR 83 Ca 0.04 0.61 -0.05 0.00 -1.01 0.00 0.00 57.07 56.65 2k46 s TYR 83 Cb -0.21 -2.48 0.05 0.00 -0.11 0.00 0.00 41.96 39.20 2k46 s TYR 83 CO 0.08 0.04 0.10 0.08 -1.11 0.00 0.00 175.55 174.74 2k46 s VAL 84 N 1.12 3.60 -0.49 0.71 1.01 -1.02 -0.12 120.40 125.21 2k46 s VAL 84 Ca 0.18 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 2k46 s VAL 84 Cb -0.14 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2k46 s VAL 84 CO 0.07 -0.21 0.54 -0.22 0.00 0.00 0.00 175.10 175.28 2k46 s LEU 85 N 1.35 5.21 -0.01 3.92 0.20 -1.07 -2.69 118.68 125.59 2k46 s LEU 85 Ca -0.02 -1.06 0.02 0.00 0.69 0.00 0.00 54.13 53.77 2k46 s LEU 85 Cb -0.20 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.18 2k46 s LEU 85 CO 0.01 -0.80 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.53 2k46 s VAL 86 N 2.26 3.74 -0.02 1.68 1.01 -0.37 -2.00 120.40 126.69 2k46 s VAL 86 Ca 0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2k46 s VAL 86 Cb -0.21 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2k46 s VAL 86 CO 0.10 0.43 -0.02 -0.76 0.00 0.00 0.00 175.10 174.85 2k46 s LEU 87 N -1.31 1.53 -0.38 3.92 1.02 -1.04 -0.78 118.68 121.64 2k46 s LEU 87 Ca 0.16 -0.06 -0.12 0.00 0.02 0.00 0.00 54.13 54.13 2k46 s LEU 87 Cb -0.11 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.86 2k46 s LEU 87 CO 0.07 -0.03 0.22 -0.75 0.02 0.00 0.00 176.35 175.88 2k46 s LYS 88 N 0.56 2.88 -0.08 1.70 2.47 -1.19 -2.60 119.74 123.49 2k46 s LYS 88 Ca -0.06 -1.05 -0.04 0.00 -1.56 0.00 0.00 55.97 53.26 2k46 s LYS 88 Cb -0.09 -3.78 -0.04 0.00 -1.46 0.00 0.00 37.83 32.46 2k46 s LYS 88 CO -0.01 -0.70 0.09 -0.06 0.16 0.00 0.00 175.35 174.84 2k46 s PHE 89 N 1.58 3.40 0.30 4.03 0.08 -0.84 -1.18 117.98 125.35 2k46 s PHE 89 Ca 0.03 0.35 -0.19 0.00 0.12 0.00 0.00 56.93 57.23 2k46 s PHE 89 Cb -0.19 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2k46 s PHE 89 CO 0.07 0.61 0.72 0.00 -0.10 0.00 0.00 175.22 176.53 2k46 s ALA 90 N -1.04 -1.03 0.40 5.36 0.00 -1.16 -0.83 121.76 123.45 2k46 s ALA 90 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2k46 s ALA 90 Cb -0.12 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2k46 s ALA 90 CO 0.07 -1.01 0.00 0.39 0.00 0.00 0.00 175.76 175.20 2k46 n GLU 91 N -0.47 -2.43 0.00 0.00 1.02 -1.26 -2.33 120.64 115.17 2k46 n GLU 91 Ca -0.05 1.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.95 2k46 n GLU 91 Cb 0.59 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 2k46 n GLU 91 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2k46 n VAL 92 N -3.82 0.00 0.20 2.62 3.14 -1.26 -4.57 118.33 114.64 2k46 n VAL 92 Ca -0.04 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.26 2k46 n VAL 92 Cb 0.62 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.36 2k46 n VAL 92 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 2k46 h TYR 93 N 0.00 -0.47 -3.55 1.45 5.03 -1.97 -3.44 116.97 114.03 2k46 h TYR 93 Ca 0.00 -0.01 -0.52 0.00 2.58 0.00 0.00 58.73 60.78 2k46 h TYR 93 Cb 0.00 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 2k46 h TYR 93 CO 0.00 -0.29 0.09 -0.06 -1.32 0.00 0.00 178.16 176.58 2k46 s PHE 94 N -3.97 3.65 -0.51 -3.82 0.08 -1.26 -5.04 117.98 107.10 2k46 s PHE 94 Ca -0.07 1.37 -0.12 0.00 0.12 0.00 0.00 56.93 58.22 2k46 s PHE 94 Cb 0.01 -2.60 0.13 0.00 -0.57 0.00 0.00 43.02 39.98 2k46 s PHE 94 CO 0.22 0.34 0.42 0.00 -0.10 0.00 0.00 175.22 176.10 2k46 s ALA 95 N -1.52 3.51 -0.15 5.36 0.00 -1.26 -5.03 121.76 122.67 2k46 s ALA 95 Ca 0.43 -2.58 -0.16 0.00 0.00 0.00 0.00 51.96 49.65 2k46 s ALA 95 Cb -0.17 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2k46 s ALA 95 CO 0.21 -1.96 0.45 -1.14 0.00 0.00 0.00 175.76 173.31 2k46 s GLN 96 N 1.39 0.56 0.16 0.00 2.00 -1.26 -5.16 119.66 117.34 2k46 s GLN 96 Ca 0.05 0.55 -0.01 0.00 -2.00 0.00 0.00 55.36 53.95 2k46 s GLN 96 Cb -0.27 0.27 -0.04 0.00 0.80 0.00 0.00 33.01 33.77 2k46 s GLN 96 CO 0.00 -0.08 0.34 -1.54 -0.50 0.00 0.00 175.29 173.51 2k46 s SER 97 N 0.06 6.39 0.00 6.67 1.04 -1.26 -4.34 113.70 122.26 2k46 s SER 97 Ca -0.01 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2k46 s SER 97 Cb -0.03 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2k46 s SER 97 CO 0.01 0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.26 2k46 n GLN 98 N -0.37 0.00 -0.33 4.02 1.13 -1.26 -4.30 117.38 116.27 2k46 n GLN 98 Ca -0.05 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.20 2k46 n GLN 98 Cb 0.53 0.00 0.36 0.00 0.11 0.00 0.00 30.24 31.24 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 0.00 -0.07 -2.92 -1.09 -0.06 -1.26 -2.64 117.38 109.34 2k46 n GLN 99 Ca 0.00 1.41 -0.44 0.00 -2.00 0.00 0.00 57.00 55.97 2k46 n GLN 99 Cb 0.00 -2.31 -0.00 0.00 -4.06 0.00 0.00 30.24 23.87 2k46 n GLN 99 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2k46 s LYS 100 N -5.82 4.07 -0.02 3.69 -0.14 -1.26 -4.87 119.74 115.39 2k46 s LYS 100 Ca -0.11 -2.52 0.04 0.00 -1.36 0.00 0.00 55.97 52.01 2k46 s LYS 100 Cb 0.29 -5.10 -0.03 0.00 -1.68 0.00 0.00 37.83 31.32 2k46 s LYS 100 CO 0.75 -1.80 -0.10 0.08 -0.76 0.00 0.00 175.35 173.51 2k46 s VAL 101 N 1.80 3.38 0.46 3.17 1.01 -1.08 -4.07 120.40 125.07 2k46 s VAL 101 Ca 0.43 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2k46 s VAL 101 Cb -0.02 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2k46 s VAL 101 CO 0.00 0.47 0.06 -0.36 0.00 0.00 0.00 175.10 175.27 2k46 s PHE 102 N -0.89 1.86 0.00 5.22 0.08 -0.84 -3.46 117.98 119.95 2k46 s PHE 102 Ca 0.15 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 56.17 2k46 s PHE 102 Cb -0.11 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2k46 s PHE 102 CO 0.04 0.01 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.47 2k46 s ASP 103 N -3.75 2.23 -0.02 1.36 1.11 -1.04 -0.29 116.67 116.27 2k46 s ASP 103 Ca 0.15 -0.39 0.00 0.00 0.18 0.00 0.00 52.55 52.50 2k46 s ASP 103 Cb 0.03 -0.23 0.02 0.00 1.07 0.00 0.00 42.92 43.81 2k46 s ASP 103 CO 0.09 0.20 0.02 -0.69 1.18 0.00 0.00 175.17 175.97 2k46 s VAL 104 N -0.54 0.01 0.06 -1.27 1.01 -0.60 -2.19 120.40 116.87 2k46 s VAL 104 Ca 0.07 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k46 s VAL 104 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2k46 s VAL 104 CO -0.00 0.08 -0.10 0.00 0.00 0.00 0.00 175.10 175.08 2k46 s ARG 105 N 0.80 0.66 -0.19 2.72 1.70 -0.63 -1.70 118.95 122.31 2k46 s ARG 105 Ca -0.07 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 2k46 s ARG 105 Cb -0.10 -0.48 0.02 0.00 -0.57 0.00 0.00 34.95 33.82 2k46 s ARG 105 CO -0.02 0.09 -0.17 0.14 -1.08 0.00 0.00 175.30 174.26 2k46 s VAL 106 N -1.50 2.25 -1.62 4.99 -7.23 0.54 -2.36 120.40 115.47 2k46 s VAL 106 Ca -0.06 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2k46 s VAL 106 Cb -0.09 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.88 2k46 s VAL 106 CO 0.01 0.50 0.00 0.59 -0.31 0.00 0.00 175.10 175.89 2k46 n ASN 107 N 4.64 -5.01 0.00 4.85 5.03 0.16 -0.57 115.26 124.36 2k46 n ASN 107 Ca -0.20 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.42 2k46 n ASN 107 Cb 0.50 -4.28 0.00 0.00 -1.02 0.00 0.00 39.78 34.98 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k46 n GLY 108 N -0.75 0.76 3.18 7.41 0.00 -1.18 -4.81 105.19 109.80 2k46 n GLY 108 Ca -0.20 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 3.28 -0.32 1.61 3.76 0.27 -5.02 115.29 116.86 2k46 s HIS 109 Ca 0.00 -1.87 -0.28 0.00 -0.15 0.00 0.00 55.06 52.76 2k46 s HIS 109 Cb 0.00 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 2k46 s HIS 109 CO 0.00 -0.81 1.83 0.95 -0.85 0.00 0.00 174.74 175.87 2k46 s THR 110 N 1.26 3.44 -0.20 1.30 -4.23 -1.26 -0.34 115.64 115.60 2k46 s THR 110 Ca -0.04 0.44 0.10 0.00 -1.18 0.00 0.00 61.69 61.01 2k46 s THR 110 Cb -0.20 -3.60 -0.19 0.00 1.34 0.00 0.00 72.50 69.85 2k46 s THR 110 CO -0.01 -0.39 -0.05 0.52 -0.54 0.00 0.00 174.62 174.15 2k46 n VAL 111 N 7.44 1.29 -3.73 2.29 0.31 -0.69 -4.79 118.33 120.45 2k46 n VAL 111 Ca 0.23 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.61 2k46 n VAL 111 Cb 0.47 -0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.45 1.48 -0.88 2.52 1.01 -1.14 -5.03 120.40 115.91 2k46 s VAL 112 Ca -0.18 -2.57 -0.03 0.00 0.00 0.00 0.00 61.98 59.20 2k46 s VAL 112 Cb 0.07 -2.04 0.22 0.00 0.00 0.00 0.00 36.38 34.62 2k46 s VAL 112 CO 0.66 -0.88 0.78 -1.59 0.00 0.00 0.00 175.10 174.07 2k46 s LYS 113 N 0.35 3.30 0.00 2.72 -2.85 -1.26 -1.56 119.74 120.45 2k46 s LYS 113 Ca 0.17 -3.16 0.00 0.00 -1.00 0.00 0.00 55.97 51.98 2k46 s LYS 113 Cb -0.24 -4.01 0.00 0.00 -2.06 0.00 0.00 37.83 31.52 2k46 s LYS 113 CO -0.00 -1.25 0.00 -0.40 0.10 0.00 0.00 175.35 173.79 2k46 n ASP 114 N 2.55 0.00 -4.57 0.03 5.68 0.60 -4.95 116.55 115.90 2k46 n ASP 114 Ca 0.20 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.19 2k46 n ASP 114 Cb 0.38 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.31 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2k46 s LEU 115 N 0.00 3.20 -1.01 -2.12 1.43 -0.11 -4.55 118.68 115.52 2k46 s LEU 115 Ca 0.00 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 2k46 s LEU 115 Cb 0.00 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 43.91 2k46 s LEU 115 CO 0.00 -2.64 0.99 1.51 0.23 0.00 0.00 176.35 176.43 2k46 s ASP 116 N 6.96 7.11 0.29 2.29 1.47 -1.26 -1.99 116.67 131.55 2k46 s ASP 116 Ca 0.66 -3.29 0.04 0.00 1.18 0.00 0.00 52.55 51.15 2k46 s ASP 116 Cb -0.03 -2.21 0.71 0.00 -0.34 0.00 0.00 42.92 41.05 2k46 s ASP 116 CO 0.04 -0.38 1.74 0.40 0.68 0.00 0.00 175.17 177.64 2k46 h ILE 117 N 4.06 0.60 0.45 2.11 2.04 -1.89 0.46 117.51 125.34 2k46 h ILE 117 Ca 0.15 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2k46 h ILE 117 Cb 0.93 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2k46 h ILE 117 CO 0.92 0.10 -0.22 0.15 0.00 0.00 0.00 178.15 179.11 2k46 h PHE 118 N 0.57 -0.56 0.00 1.37 3.57 -1.86 -2.73 116.94 117.30 2k46 h PHE 118 Ca 0.56 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.02 2k46 h PHE 118 Cb 0.96 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2k46 h PHE 118 CO -0.07 -0.31 -0.12 0.22 -2.23 0.00 0.00 178.31 175.80 2k46 h ASP 119 N -0.68 0.00 0.78 0.41 1.82 -1.57 0.28 116.42 117.46 2k46 h ASP 119 Ca -0.06 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 2k46 h ASP 119 Cb 0.51 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.52 2k46 h ASP 119 CO 0.10 0.12 -0.38 0.03 -1.61 0.00 0.00 179.24 177.51 2k46 h ARG 120 N 0.00 -1.01 0.00 0.28 2.47 -0.65 -3.40 114.38 112.07 2k46 h ARG 120 Ca -0.00 0.07 -0.30 0.00 -1.26 0.00 0.00 59.98 58.49 2k46 h ARG 120 Cb 0.26 0.23 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 2k46 h ARG 120 CO 0.02 -0.66 -2.11 0.28 0.56 0.00 0.00 179.97 178.06 2k46 n VAL 121 N -5.48 1.11 0.00 2.04 0.31 -1.10 -5.11 118.33 110.10 2k46 n VAL 121 Ca -0.13 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2k46 n VAL 121 Cb 0.42 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k46 n GLY 122 N 2.46 0.93 3.53 2.92 0.00 0.97 -5.02 105.19 110.97 2k46 n GLY 122 Ca -0.35 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 3.21 0.00 1.61 3.76 -1.26 -4.60 115.29 118.00 2k46 s HIS 123 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2k46 s HIS 123 Cb 0.00 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 31.01 2k46 s HIS 123 CO 0.00 -0.47 0.00 0.45 -0.85 0.00 0.00 174.74 173.87 2k46 n SER 124 N 5.38 0.00 -1.24 1.40 2.88 -1.26 -4.96 113.62 115.82 2k46 n SER 124 Ca -0.09 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.60 2k46 n SER 124 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k46 n THR 125 N 0.00 0.00 -3.79 2.46 -2.24 -1.26 -4.65 114.28 104.80 2k46 n THR 125 Ca 0.00 0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.63 2k46 n THR 125 Cb 0.00 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.69 3.83 0.07 6.98 0.00 -1.26 -4.36 121.76 124.33 2k46 s ALA 126 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2k46 s ALA 126 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2k46 s ALA 126 CO 0.00 0.56 0.02 -1.58 0.00 0.00 0.00 175.76 174.76 2k46 s HIS 127 N -0.94 3.05 -0.02 0.00 2.46 -0.01 -4.95 115.29 114.88 2k46 s HIS 127 Ca 0.16 0.02 0.02 0.00 0.47 0.00 0.00 55.06 55.73 2k46 s HIS 127 Cb -0.13 -1.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.74 2k46 s HIS 127 CO 0.06 0.49 -0.08 0.16 -2.47 0.00 0.00 174.74 172.90 2k46 s ASP 128 N -2.22 1.02 -0.22 9.88 1.47 -1.26 -2.00 116.67 123.34 2k46 s ASP 128 Ca 0.26 -0.16 -0.01 0.00 1.18 0.00 0.00 52.55 53.82 2k46 s ASP 128 Cb -0.12 -0.22 0.06 0.00 -0.34 0.00 0.00 42.92 42.30 2k46 s ASP 128 CO 0.18 0.07 -0.01 -1.61 0.68 0.00 0.00 175.17 174.48 2k46 s GLU 129 N 0.09 1.16 -0.20 2.11 0.41 -1.07 -5.02 118.70 116.18 2k46 s GLU 129 Ca -0.01 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 53.67 2k46 s GLU 129 Cb -0.06 -2.37 -0.05 0.00 -1.78 0.00 0.00 34.13 29.87 2k46 s GLU 129 CO 0.00 -0.64 0.19 0.42 -0.49 0.00 0.00 175.26 174.74 2k46 s ILE 130 N 1.60 5.36 -0.45 -1.63 1.01 -1.26 -2.48 121.20 123.34 2k46 s ILE 130 Ca -0.03 0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2k46 s ILE 130 Cb -0.18 -3.53 0.16 0.00 0.01 0.00 0.00 42.46 38.91 2k46 s ILE 130 CO -0.08 0.39 0.31 -0.63 0.00 0.00 0.00 174.94 174.94 2k46 s ILE 131 N 0.61 0.89 0.46 2.92 1.01 -0.85 -5.03 121.20 121.20 2k46 s ILE 131 Ca 0.11 -2.66 -0.25 0.00 0.00 0.00 0.00 60.65 57.85 2k46 s ILE 131 Cb -0.12 -1.62 -0.08 0.00 0.01 0.00 0.00 42.46 40.66 2k46 s ILE 131 CO 0.01 -1.08 1.37 -2.84 0.00 0.00 0.00 174.94 172.40 2k46 s PRO 132 N 0.13 3.66 0.09 2.79 0.02 -1.26 -2.61 135.00 137.81 2k46 s PRO 132 Ca 0.25 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.56 2k46 s PRO 132 Cb -0.09 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 2k46 s PRO 132 CO -0.11 -0.78 -0.06 0.42 -0.33 0.00 0.00 177.00 176.14 2k46 s ILE 133 N -1.26 0.62 -0.23 2.83 1.01 0.83 -4.38 121.20 120.64 2k46 s ILE 133 Ca 0.62 -1.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.37 2k46 s ILE 133 Cb -0.41 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.54 2k46 s ILE 133 CO 0.51 -0.86 0.06 -0.94 0.00 0.00 0.00 174.94 173.71 2k46 s SER 134 N -2.94 3.20 -0.19 3.58 1.04 -1.06 -1.38 113.70 115.95 2k46 s SER 134 Ca 0.10 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.43 2k46 s SER 134 Cb 0.05 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 2k46 s SER 134 CO -0.05 -0.34 0.04 -0.63 0.98 0.00 0.00 173.24 173.24 2k46 s ILE 135 N 1.82 4.47 -0.11 -1.02 1.01 -0.65 -1.94 121.20 124.78 2k46 s ILE 135 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 2k46 s ILE 135 Cb -0.17 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.32 2k46 s ILE 135 CO -0.14 0.44 0.37 -0.54 0.00 0.00 0.00 174.94 175.07 2k46 s LYS 136 N 0.63 0.52 -0.40 2.79 1.02 -0.74 -1.84 119.74 121.71 2k46 s LYS 136 Ca 0.02 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.34 2k46 s LYS 136 Cb -0.13 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2k46 s LYS 136 CO 0.02 -0.09 0.00 1.63 -0.92 0.00 0.00 175.35 175.98 2k46 n LYS 137 N 2.41 -1.85 -0.25 1.68 5.02 -1.26 -1.09 118.16 122.82 2k46 n LYS 137 Ca -0.15 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2k46 n LYS 137 Cb 0.57 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 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 0.65 0.86 3.50 0.72 0.00 -1.26 -5.08 105.19 104.58 2k46 n GLY 138 Ca -0.04 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.64 1.81 -0.15 1.61 1.02 -0.25 -2.40 119.74 120.75 2k46 s LYS 139 Ca 0.00 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 2k46 s LYS 139 Cb 0.00 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2k46 s LYS 139 CO 0.00 0.43 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.61 2k46 s LEU 140 N -2.64 3.00 -0.28 3.17 0.20 -0.01 -1.79 118.68 120.33 2k46 s LEU 140 Ca 0.22 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 54.81 2k46 s LEU 140 Cb -0.09 -1.70 0.05 0.00 -0.43 0.00 0.00 46.19 44.02 2k46 s LEU 140 CO 0.12 0.16 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.75 2k46 s SER 141 N 0.40 4.71 -0.36 3.68 0.15 -0.82 -1.30 113.70 120.17 2k46 s SER 141 Ca -0.07 -1.33 -0.10 0.00 0.70 0.00 0.00 55.95 55.15 2k46 s SER 141 Cb -0.15 -1.65 0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2k46 s SER 141 CO 0.04 -0.23 0.19 0.54 1.20 0.00 0.00 173.24 174.98 2k46 s VAL 142 N 1.19 4.48 0.00 4.45 0.11 -0.49 -2.56 120.40 127.58 2k46 s VAL 142 Ca -0.07 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 2k46 s VAL 142 Cb -0.20 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2k46 s VAL 142 CO -0.03 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.55 2k46 n GLN 143 N 4.97 0.00 -0.52 1.54 3.00 -1.26 -1.05 117.38 124.07 2k46 n GLN 143 Ca -0.12 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.91 2k46 n GLN 143 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.77 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 2.37 3.15 1.08 0.00 -1.26 -5.05 105.19 105.48 2k46 n GLY 144 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.20 1.72 -0.11 1.61 2.56 -0.21 -5.14 118.70 117.94 2k46 s GLU 145 Ca 0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 54.97 54.49 2k46 s GLU 145 Cb 0.18 -1.54 -0.04 0.00 2.00 0.00 0.00 34.13 34.74 2k46 s GLU 145 CO -0.02 0.29 0.03 0.54 -0.56 0.00 0.00 175.26 175.54 2k46 s VAL 146 N -0.09 4.57 0.26 3.70 0.11 -1.26 -1.39 120.40 126.28 2k46 s VAL 146 Ca -0.01 -0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 2k46 s VAL 146 Cb -0.10 -2.96 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 2k46 s VAL 146 CO 0.01 0.58 0.51 -0.44 -3.33 0.00 0.00 175.10 172.44 2k46 s SER 147 N -0.66 -0.06 -0.11 3.54 0.01 -0.42 -5.03 113.70 110.98 2k46 s SER 147 Ca 0.11 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 2k46 s SER 147 Cb -0.12 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 2k46 s SER 147 CO 0.02 -1.18 0.28 0.42 0.41 0.00 0.00 173.24 173.19 2k46 s THR 148 N -3.92 5.28 0.19 1.44 -4.23 -1.26 -0.82 115.64 112.31 2k46 s THR 148 Ca 0.21 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.96 2k46 s THR 148 Cb -0.01 -3.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 2k46 s THR 148 CO 0.09 0.50 0.96 0.12 -0.54 0.00 0.00 174.62 175.76 2k46 s PHE 149 N -0.36 3.90 -0.32 3.99 5.36 -1.01 -4.69 117.98 124.84 2k46 s PHE 149 Ca 0.18 1.86 0.00 0.00 -0.96 0.00 0.00 56.93 58.01 2k46 s PHE 149 Cb -0.14 -3.03 0.14 0.00 -0.34 0.00 0.00 43.02 39.66 2k46 s PHE 149 CO 0.06 0.30 0.29 0.99 -1.46 0.00 0.00 175.22 175.41 2k46 s THR 150 N -0.69 -0.28 0.00 0.12 2.01 -1.26 -4.85 115.64 110.68 2k46 s THR 150 Ca 0.44 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2k46 s THR 150 Cb -0.25 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2k46 s THR 150 CO 0.32 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 2k46 n GLY 151 N 4.79 2.00 3.59 4.40 0.00 -1.26 -4.89 105.19 113.83 2k46 n GLY 151 Ca 0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 1.67 -0.21 1.61 0.00 -1.26 -3.04 119.74 118.50 2k46 s LYS 152 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 55.97 54.47 2k46 s LYS 152 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2k46 s LYS 152 CO 0.00 -0.70 0.36 -1.17 0.00 0.00 0.00 175.35 173.83 2k46 s LEU 153 N -3.06 4.15 -0.24 2.77 0.20 0.51 -4.84 118.68 118.17 2k46 s LEU 153 Ca 0.23 0.45 -0.01 0.00 0.69 0.00 0.00 54.13 55.49 2k46 s LEU 153 Cb -0.01 -2.45 0.03 0.00 -0.43 0.00 0.00 46.19 43.33 2k46 s LEU 153 CO 0.11 -0.05 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.48 2k46 s SER 154 N 1.05 4.11 -0.26 3.68 0.15 -1.26 -0.10 113.70 121.07 2k46 s SER 154 Ca 0.17 -0.87 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 2k46 s SER 154 Cb -0.15 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 2k46 s SER 154 CO 0.07 -0.11 0.15 -0.69 1.20 0.00 0.00 173.24 173.87 2k46 s VAL 155 N 1.30 5.09 0.03 4.45 1.01 -0.98 0.36 120.40 131.65 2k46 s VAL 155 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2k46 s VAL 155 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2k46 s VAL 155 CO -0.06 0.30 -0.12 -1.61 0.00 0.00 0.00 175.10 173.60 2k46 s GLU 156 N 1.54 0.85 -0.03 2.72 0.41 -1.00 -1.75 118.70 121.44 2k46 s GLU 156 Ca 0.07 -0.65 0.04 0.00 -0.41 0.00 0.00 54.97 54.02 2k46 s GLU 156 Cb -0.15 -0.82 -0.00 0.00 -1.78 0.00 0.00 34.13 31.37 2k46 s GLU 156 CO 0.08 0.21 -0.14 -0.59 -0.49 0.00 0.00 175.26 174.32 2k46 s PHE 157 N -0.74 1.42 -0.01 1.61 -0.71 -1.05 -1.61 117.98 116.89 2k46 s PHE 157 Ca 0.01 -0.37 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 2k46 s PHE 157 Cb -0.07 -0.96 -0.03 0.00 -1.21 0.00 0.00 43.02 40.75 2k46 s PHE 157 CO 0.01 -0.12 -0.04 0.08 -1.34 0.00 0.00 175.22 173.80 2k46 s VAL 158 N 0.02 3.84 0.29 -2.49 1.01 -0.93 -2.68 120.40 119.46 2k46 s VAL 158 Ca -0.02 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2k46 s VAL 158 Cb -0.10 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2k46 s VAL 158 CO 0.01 0.41 1.19 -1.59 0.00 0.00 0.00 175.10 175.12 2k46 s LYS 159 N -1.39 4.52 0.07 2.72 -2.85 -1.26 -2.51 119.74 119.03 2k46 s LYS 159 Ca 0.17 1.97 0.22 0.00 -1.00 0.00 0.00 55.97 57.33 2k46 s LYS 159 Cb -0.11 -3.15 -0.17 0.00 -2.06 0.00 0.00 37.83 32.34 2k46 s LYS 159 CO 0.08 0.03 0.74 0.41 0.10 0.00 0.00 175.35 176.71 2k46 n GLY 160 N 1.13 -1.22 2.03 0.59 0.00 -1.22 -4.86 105.19 101.63 2k46 n GLY 160 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.52 -2.63 -3.64 1.61 9.36 -1.26 -4.93 117.16 113.14 2k46 n TYR 161 Ca -0.04 0.19 -0.02 0.00 3.32 0.00 0.00 57.90 61.35 2k46 n TYR 161 Cb 0.62 0.92 -0.03 0.00 -0.63 0.00 0.00 39.34 40.21 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 -2.00 -0.04 -0.54 2.98 5.04 -1.26 -5.08 117.35 116.46 2k46 s TYR 162 Ca 0.00 0.04 -0.09 0.00 -2.44 0.00 0.00 57.07 54.58 2k46 s TYR 162 Cb 0.00 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.82 2k46 s TYR 162 CO 0.00 -0.05 0.62 -0.25 -1.34 0.00 0.00 175.55 174.53 2k46 n ASP 163 N 0.21 -7.64 -4.36 4.32 8.00 -1.26 -4.97 116.55 110.85 2k46 n ASP 163 Ca 0.03 0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.47 2k46 n ASP 163 Cb 0.58 -5.18 0.17 0.00 -0.02 0.00 0.00 41.12 36.67 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 -0.93 -2.08 -3.64 -2.24 3.02 -1.26 -4.62 115.26 103.51 2k46 n ASN 164 Ca 0.06 0.03 -0.51 0.00 -0.03 0.00 0.00 54.58 54.13 2k46 n ASN 164 Cb 0.47 -1.09 -0.10 0.00 -0.61 0.00 0.00 39.78 38.44 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k46 n PRO 165 N -2.43 0.00 0.00 3.52 -0.02 -1.26 -4.86 135.00 129.95 2k46 n PRO 165 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2k46 n PRO 165 Cb 0.58 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 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 6.05 0.00 -3.09 -0.52 4.81 -1.26 -4.68 118.16 119.48 2k46 n LYS 166 Ca 0.45 0.43 -0.39 0.00 -0.87 0.00 0.00 58.31 57.92 2k46 n LYS 166 Cb -0.04 -1.40 -0.05 0.00 0.02 0.00 0.00 35.03 33.56 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 -2.63 4.93 -0.08 3.15 1.01 -0.99 -4.22 120.40 121.57 2k46 s VAL 167 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2k46 s VAL 167 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2k46 s VAL 167 CO 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.38 2k46 n ALA 169 N 4.58 5.05 -0.90 0.00 0.00 -0.32 -0.32 120.51 128.59 2k46 n ALA 169 Ca -0.16 -3.69 -0.30 0.00 0.00 0.00 0.00 53.44 49.29 2k46 n ALA 169 Cb 0.50 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.79 -1.13 -3.16 0.00 -0.00 0.17 -3.15 117.00 108.93 2k46 n LEU 170 Ca 0.44 0.68 0.03 0.00 -0.00 0.00 0.00 56.01 57.16 2k46 n LEU 170 Cb 0.91 -0.61 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 2k46 n LEU 170 CO 0.41 -2.20 0.10 0.12 -0.00 0.00 0.00 177.39 175.82 2k46 s PHE 171 N -0.79 -1.73 -0.19 1.96 5.36 0.04 -1.76 117.98 120.87 2k46 s PHE 171 Ca 0.41 1.19 -0.03 0.00 -0.96 0.00 0.00 56.93 57.55 2k46 s PHE 171 Cb -0.55 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.46 2k46 s PHE 171 CO 0.38 -1.02 -0.07 -1.50 -1.46 0.00 0.00 175.22 171.54 2k46 s ILE 172 N 2.81 3.25 0.36 3.12 2.07 -0.24 -1.24 121.20 131.33 2k46 s ILE 172 Ca 0.13 -0.55 0.09 0.00 -1.41 0.00 0.00 60.65 58.90 2k46 s ILE 172 Cb -0.11 -2.44 -0.06 0.00 0.13 0.00 0.00 42.46 39.97 2k46 s ILE 172 CO -0.25 0.46 -0.02 0.00 -1.91 0.00 0.00 174.94 173.23 2k46 s MET 173 N 1.11 1.98 0.03 3.50 0.00 -1.09 -2.74 119.30 122.08 2k46 s MET 173 Ca 0.01 -1.87 0.09 0.00 0.00 0.00 0.00 55.69 53.92 2k46 s MET 173 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 34.83 32.84 2k46 s MET 173 CO -0.01 0.10 -0.26 -1.59 0.00 0.00 0.00 175.02 173.26 2k46 s LYS 174 N -3.69 1.85 0.00 3.16 -2.85 -1.05 -2.43 119.74 114.73 2k46 s LYS 174 Ca 0.34 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 2k46 s LYS 174 Cb 0.02 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2k46 s LYS 174 CO 0.18 0.51 0.00 0.41 0.10 0.00 0.00 175.35 176.56 2k46 n GLY 175 N 1.99 2.93 0.00 0.59 0.00 0.10 -4.79 105.19 106.01 2k46 n GLY 175 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.42 2.61 -2.24 0.25 -2.81 114.28 112.52 2k46 n THR 176 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2k46 n THR 176 Cb 0.00 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.70 0.00 6.98 0.00 -1.95 -3.33 119.26 121.65 2k46 h ALA 177 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k46 h ALA 177 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k46 h ALA 177 CO 0.00 0.00 -0.05 0.22 0.00 0.00 0.00 179.25 179.42 2k46 h ASP 178 N 0.00 0.00 0.29 0.00 1.82 -1.99 -3.18 116.42 113.36 2k46 h ASP 178 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2k46 h ASP 178 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2k46 h ASP 178 CO 0.00 0.05 -0.14 0.44 -1.61 0.00 0.00 179.24 177.98 2k46 h ASP 179 N 0.00 -0.33 -0.60 2.28 3.32 -1.97 -3.43 116.42 115.68 2k46 h ASP 179 Ca -0.00 0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 2k46 h ASP 179 Cb 0.21 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2k46 h ASP 179 CO 0.01 -0.03 1.61 0.55 -1.72 0.00 0.00 179.24 179.65 2k46 n VAL 180 N -4.22 0.02 -1.61 -1.35 3.14 -1.20 -4.83 118.33 108.28 2k46 n VAL 180 Ca -0.05 -0.24 -0.49 0.00 -2.96 0.00 0.00 64.34 60.60 2k46 n VAL 180 Cb 0.16 -1.28 -0.04 0.00 -1.06 0.00 0.00 33.84 31.61 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k46 n PRO 181 N 8.44 1.41 -3.32 1.45 -0.02 -1.26 -4.98 135.00 136.72 2k46 n PRO 181 Ca 0.53 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 62.43 2k46 n PRO 181 Cb 0.18 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 2k46 n PRO 181 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2k46 s MET 182 N -0.06 0.39 -0.20 -0.52 1.75 -1.26 -5.14 119.30 114.27 2k46 s MET 182 Ca 0.75 0.42 -0.17 0.00 -1.25 0.00 0.00 55.69 55.44 2k46 s MET 182 Cb -0.82 -0.33 -0.03 0.00 2.84 0.00 0.00 34.83 36.48 2k46 s MET 182 CO 0.49 -0.79 0.47 -0.51 -0.65 0.00 0.00 175.02 174.03 2k46 s LEU 183 N 2.57 4.15 0.60 4.11 1.43 -1.26 -5.06 118.68 125.22 2k46 s LEU 183 Ca 0.12 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.64 2k46 s LEU 183 Cb -0.14 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2k46 s LEU 183 CO -0.22 -0.14 1.24 -1.10 0.23 0.00 0.00 176.35 176.36 2k46 s GLN 184 N 1.52 2.90 0.08 1.70 -0.21 -1.26 -4.92 119.66 119.47 2k46 s GLN 184 Ca 0.22 1.91 -0.31 0.00 0.02 0.00 0.00 55.36 57.20 2k46 s GLN 184 Cb -0.15 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 31.83 2k46 s GLN 184 CO 0.09 -1.28 1.66 -1.25 -2.12 0.00 0.00 175.29 172.39 2k46 s PRO 185 N -3.30 4.19 -0.04 2.91 0.04 -1.26 -5.01 135.00 132.54 2k46 s PRO 185 Ca 0.78 2.35 0.01 0.00 0.04 0.00 0.00 61.00 64.18 2k46 s PRO 185 Cb -0.33 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.64 2k46 s PRO 185 CO 0.36 -0.74 -0.05 -1.58 0.04 0.00 0.00 177.00 175.02 2k46 s HIS 186 N 2.60 0.75 0.00 0.56 2.46 -1.26 -5.12 115.29 115.28 2k46 s HIS 186 Ca 0.74 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 56.07 2k46 s HIS 186 Cb -0.40 -0.63 0.00 0.00 -0.13 0.00 0.00 32.58 31.42 2k46 s HIS 186 CO 0.32 -0.16 0.00 -0.35 -2.47 0.00 0.00 174.74 172.09 2k46 n PRO 187 N 3.80 0.00 0.00 2.88 -0.04 -1.26 -5.10 135.00 135.29 2k46 n PRO 187 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2k46 n PRO 187 Cb 0.52 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 2.38 2.51 3.91 0.55 0.00 -1.26 -5.08 105.19 108.20 2k46 n GLY 188 Ca 0.00 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 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 4.14 0.00 0.99 1.02 -1.26 -5.37 118.68 118.20 2k46 s LEU 189 Ca 0.00 -0.03 0.27 0.00 0.02 0.00 0.00 54.13 54.39 2k46 s LEU 189 Cb 0.00 -2.68 0.82 0.00 0.02 0.00 0.00 46.19 44.35 2k46 s LEU 189 CO 0.00 -0.04 1.62 1.21 0.02 0.00 0.00 176.35 179.16