#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 h ALA 2 N 0.00 0.65 -2.58 4.61 0.00 -1.97 -3.44 119.26 116.54 2k46 h ALA 2 Ca 0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 2k46 h ALA 2 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2k46 h ALA 2 CO 0.00 0.71 0.12 -1.64 0.00 0.00 0.00 179.25 178.44 2k46 s MET 3 N -2.98 4.21 0.00 0.00 1.00 -1.26 -4.69 119.30 115.57 2k46 s MET 3 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 55.69 56.34 2k46 s MET 3 Cb 0.08 -3.58 0.00 0.00 0.00 0.00 0.00 34.83 31.34 2k46 s MET 3 CO 0.75 -0.24 0.00 0.45 0.00 0.00 0.00 175.02 175.98 2k46 n SER 4 N 5.05 0.00 0.00 3.03 2.88 -1.26 -5.05 113.62 118.26 2k46 n SER 4 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2k46 n SER 4 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 3.26 0.13 0.46 0.00 -1.26 -4.87 105.19 102.91 2k46 n GLY 5 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 0.58 -2.47 0.99 5.85 -1.90 -3.28 115.31 115.08 2k46 h LEU 6 Ca 0.00 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 57.81 2k46 h LEU 6 Cb 0.00 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2k46 h LEU 6 CO 0.00 1.65 0.17 0.00 -0.34 0.00 0.00 178.44 179.92 2k46 h ALA 7 N 0.07 1.26 0.00 1.25 0.00 -1.77 -0.02 119.26 120.05 2k46 h ALA 7 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k46 h ALA 7 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2k46 h ALA 7 CO 0.16 -0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.79 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.32 -1.86 -3.21 116.42 114.67 2k46 h ASP 8 Ca 0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 2k46 h ASP 8 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2k46 h ASP 8 CO -0.00 0.00 -1.77 0.29 -1.72 0.00 0.00 179.24 176.04 2k46 n LYS 9 N -2.41 1.53 -1.37 3.56 4.76 -0.05 -5.03 118.16 119.15 2k46 n LYS 9 Ca 0.03 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2k46 n LYS 9 Cb 0.32 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.31 1.23 0.00 -0.18 3.14 -1.05 -2.41 118.33 116.76 2k46 n VAL 10 Ca -0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 2k46 n VAL 10 Cb 0.74 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 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 -0.91 0.00 -3.58 1.55 -5.35 -1.18 -4.81 119.36 105.09 2k46 n ILE 11 Ca 0.12 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.60 2k46 n ILE 11 Cb 0.39 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.23 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.37 -0.44 -0.05 4.28 -0.00 -1.12 -5.09 118.94 116.15 2k46 s TRP 12 Ca 0.00 0.85 -0.08 0.00 -0.00 0.00 0.00 56.10 56.86 2k46 s TRP 12 Cb 0.00 0.26 0.02 0.00 -0.00 0.00 0.00 33.47 33.75 2k46 s TRP 12 CO 0.00 -0.22 0.21 0.00 -0.00 0.00 0.00 176.95 176.94 2k46 s ALA 13 N 1.49 -0.52 -0.11 5.86 0.00 -1.26 -1.05 121.76 126.18 2k46 s ALA 13 Ca -0.07 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2k46 s ALA 13 Cb -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2k46 s ALA 13 CO -0.14 -0.15 0.25 0.08 0.00 0.00 0.00 175.76 175.80 2k46 s VAL 14 N -0.43 -0.17 -0.49 0.00 1.01 0.43 -2.14 120.40 118.62 2k46 s VAL 14 Ca -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 2k46 s VAL 14 Cb -0.04 -0.40 0.13 0.00 0.00 0.00 0.00 36.38 36.07 2k46 s VAL 14 CO 0.01 0.08 0.27 0.21 0.00 0.00 0.00 175.10 175.67 2k46 s ASN 15 N 1.67 5.00 -0.16 3.32 2.47 -1.26 0.52 114.94 126.51 2k46 s ASN 15 Ca -0.06 -2.50 -0.29 0.00 0.42 0.00 0.00 52.86 50.43 2k46 s ASN 15 Cb -0.11 -1.77 -0.04 0.00 -1.45 0.00 0.00 41.25 37.88 2k46 s ASN 15 CO -0.08 -0.40 1.70 0.00 -3.72 0.00 0.00 177.10 174.59 2k46 s ALA 16 N 0.45 3.33 0.00 1.71 0.00 0.59 -3.22 121.76 124.62 2k46 s ALA 16 Ca 0.13 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2k46 s ALA 16 Cb -0.22 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2k46 s ALA 16 CO -0.04 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.28 2k46 n GLY 17 N 4.61 3.01 0.00 0.00 0.00 -1.22 -2.76 105.19 108.83 2k46 n GLY 17 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.76 3.34 -0.02 0.00 -1.20 -3.75 105.19 105.33 2k46 n GLY 18 Ca 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 3.93 0.39 0.00 1.61 2.02 -1.26 -4.57 118.70 120.82 2k46 s GLU 19 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.11 2k46 s GLU 19 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2k46 s GLU 19 CO 0.00 -0.26 0.00 -1.13 0.02 0.00 0.00 175.26 173.89 2k46 n SER 20 N 5.41 -6.23 -4.35 -0.19 3.41 -1.25 -4.91 113.62 105.51 2k46 n SER 20 Ca -0.09 0.76 -0.25 0.00 -0.26 0.00 0.00 58.87 59.03 2k46 n SER 20 Cb 0.49 -1.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.06 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k46 s HIS 21 N -0.04 2.02 -0.30 7.33 2.46 -1.03 -4.91 115.29 120.82 2k46 s HIS 21 Ca 0.00 -0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.15 2k46 s HIS 21 Cb 0.00 -1.06 0.09 0.00 -0.13 0.00 0.00 32.58 31.47 2k46 s HIS 21 CO 0.00 0.32 0.01 0.08 -2.47 0.00 0.00 174.74 172.68 2k46 s VAL 22 N -1.43 1.97 0.60 0.89 1.01 -1.26 -0.35 120.40 121.84 2k46 s VAL 22 Ca 0.13 -1.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.02 2k46 s VAL 22 Cb -0.09 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2k46 s VAL 22 CO 0.06 -0.42 1.09 -0.62 0.00 0.00 0.00 175.10 175.21 2k46 s ASP 23 N 1.10 5.57 0.22 3.32 -1.08 0.51 -4.84 116.67 121.46 2k46 s ASP 23 Ca 0.04 1.97 -0.16 0.00 -0.52 0.00 0.00 52.55 53.88 2k46 s ASP 23 Cb -0.19 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 38.96 2k46 s ASP 23 CO -0.09 -1.32 1.58 -0.37 0.52 0.00 0.00 175.17 175.49 2k46 h VAL 24 N 0.54 0.12 0.00 1.11 -1.51 -1.98 0.97 116.25 115.51 2k46 h VAL 24 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k46 h VAL 24 Cb 1.24 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2k46 h VAL 24 CO 0.56 0.00 0.09 0.45 -1.23 0.00 0.00 177.57 177.45 2k46 h HIS 25 N -0.06 0.00 0.00 5.19 3.86 -1.98 -3.44 115.15 118.71 2k46 h HIS 25 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 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 -0.71 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.49 2k46 n GLY 26 N -1.16 1.37 3.55 2.45 0.00 0.34 -4.04 105.19 107.69 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 4.80 -0.15 -0.61 -1.09 -1.11 -4.41 121.20 116.63 2k46 s ILE 27 Ca 0.00 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 2k46 s ILE 27 Cb 0.00 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2k46 s ILE 27 CO 0.00 0.34 0.02 -2.28 -1.23 0.00 0.00 174.94 171.79 2k46 s HIS 28 N 1.35 3.19 -0.15 3.97 5.65 -1.25 -0.37 115.29 127.68 2k46 s HIS 28 Ca 0.06 0.03 -0.09 0.00 0.25 0.00 0.00 55.06 55.31 2k46 s HIS 28 Cb -0.15 -1.97 -0.05 0.00 -1.18 0.00 0.00 32.58 29.24 2k46 s HIS 28 CO 0.05 0.22 0.17 -0.47 -0.65 0.00 0.00 174.74 174.06 2k46 s TYR 29 N -0.03 3.51 -0.36 3.88 5.04 0.53 -4.12 117.35 125.79 2k46 s TYR 29 Ca 0.04 0.48 -0.16 0.00 -2.44 0.00 0.00 57.07 54.99 2k46 s TYR 29 Cb -0.13 -2.10 -0.00 0.00 0.35 0.00 0.00 41.96 40.08 2k46 s TYR 29 CO 0.02 0.49 0.41 -0.98 -1.34 0.00 0.00 175.55 174.14 2k46 s ARG 30 N -0.27 3.48 0.00 4.97 1.70 -0.91 -2.46 118.95 125.46 2k46 s ARG 30 Ca 0.13 -0.43 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 2k46 s ARG 30 Cb -0.12 -3.84 0.00 0.00 -0.57 0.00 0.00 34.95 30.42 2k46 s ARG 30 CO 0.02 -0.62 0.00 1.17 -1.08 0.00 0.00 175.30 174.79 2k46 n LYS 31 N 5.51 0.00 -0.20 3.89 4.81 -1.26 -4.12 118.16 126.79 2k46 n LYS 31 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 2k46 n LYS 31 Cb 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k46 n ASP 32 N 0.00 -0.20 -1.75 3.14 5.75 -1.26 -4.78 116.55 117.45 2k46 n ASP 32 Ca 0.00 -0.08 0.07 0.00 -0.01 0.00 0.00 54.79 54.77 2k46 n ASP 32 Cb 0.00 -0.07 0.39 0.00 -1.03 0.00 0.00 41.12 40.40 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2k46 n PRO 33 N 0.73 4.62 0.00 0.11 -0.04 -1.26 -4.02 135.00 135.14 2k46 n PRO 33 Ca 0.08 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.42 2k46 n PRO 33 Cb 0.02 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2k46 n PRO 33 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k46 n LEU 34 N 0.47 0.65 -3.79 1.53 0.00 -1.26 -4.61 117.00 109.99 2k46 n LEU 34 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.86 2k46 n LEU 34 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.55 2k46 n LEU 34 CO 0.30 0.11 2.40 1.21 0.00 0.00 0.00 177.39 181.41 2k46 n GLU 35 N -1.59 2.39 -0.87 1.96 2.13 -1.26 -3.92 120.64 119.49 2k46 n GLU 35 Ca 0.00 -2.40 0.00 0.00 0.66 0.00 0.00 57.16 55.42 2k46 n GLU 35 Cb 0.14 -3.20 0.00 0.00 0.27 0.00 0.00 31.44 28.64 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k46 n GLY 36 N 4.40 0.69 1.89 8.31 0.00 -1.26 -3.36 105.19 115.86 2k46 n GLY 36 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -1.99 -1.59 -3.75 1.61 0.00 -1.25 -4.87 116.66 104.82 2k46 n ARG 37 Ca 0.00 0.45 -0.13 0.00 -0.00 0.00 0.00 57.85 58.17 2k46 n ARG 37 Cb 0.01 -4.74 -0.10 0.00 -0.00 0.00 0.00 32.46 27.64 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k46 s VAL 38 N -1.92 0.03 -5.00 8.89 0.11 -1.21 -4.85 120.40 116.44 2k46 s VAL 38 Ca 0.00 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2k46 s VAL 38 Cb 0.00 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2k46 s VAL 38 CO 0.00 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 2k46 n GLY 39 N 2.12 0.15 2.53 6.54 0.00 -1.26 -4.94 105.19 110.34 2k46 n GLY 39 Ca -0.17 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2k46 n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k46 n ARG 40 N 0.00 0.60 -1.34 1.61 0.63 -1.26 -5.07 116.66 111.84 2k46 n ARG 40 Ca 0.00 -2.47 0.18 0.00 -0.92 0.00 0.00 57.85 54.65 2k46 n ARG 40 Cb 0.00 -1.44 -0.05 0.00 0.45 0.00 0.00 32.46 31.43 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k46 n ALA 41 N 2.08 -3.63 -1.57 5.13 0.00 -1.26 -4.92 120.51 116.34 2k46 n ALA 41 Ca 0.18 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 54.03 2k46 n ALA 41 Cb 0.56 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 2k46 n ALA 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k46 n SER 42 N -4.32 -0.17 -4.63 0.00 3.41 -1.25 -5.09 113.62 101.57 2k46 n SER 42 Ca 0.01 -0.64 -0.45 0.00 -0.26 0.00 0.00 58.87 57.53 2k46 n SER 42 Cb 0.65 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k46 n ASP 43 N 0.00 2.07 0.08 4.04 5.75 -1.26 -4.88 116.55 122.35 2k46 n ASP 43 Ca -0.05 1.17 0.12 0.00 -0.01 0.00 0.00 54.79 56.02 2k46 n ASP 43 Cb 0.32 -1.36 0.16 0.00 -1.03 0.00 0.00 41.12 39.21 2k46 n ASP 43 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2k46 h TYR 44 N 3.10 0.00 0.00 2.11 3.20 -1.96 -3.46 116.97 119.96 2k46 h TYR 44 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2k46 h TYR 44 Cb 1.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2k46 h TYR 44 CO 0.52 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.45 2k46 n GLY 45 N 1.30 -0.18 0.30 1.82 0.00 -1.26 -5.04 105.19 102.14 2k46 n GLY 45 Ca 0.03 0.72 -0.03 0.00 0.00 0.00 0.00 46.02 46.74 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k46 h MET 46 N 0.00 0.97 -5.36 1.61 2.86 -2.02 -3.34 114.93 109.65 2k46 h MET 46 Ca 0.00 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.35 2k46 h MET 46 Cb 0.00 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 2k46 h MET 46 CO 0.00 0.64 0.75 0.21 1.06 0.00 0.00 176.91 179.57 2k46 s LYS 47 N -6.11 2.08 -0.33 1.72 2.20 -1.26 -4.38 119.74 113.67 2k46 s LYS 47 Ca -0.13 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.54 2k46 s LYS 47 Cb 0.16 -5.16 0.28 0.00 -1.51 0.00 0.00 37.83 31.61 2k46 s LYS 47 CO 0.78 -4.45 1.27 -0.11 -0.36 0.00 0.00 175.35 172.48 2k46 n LEU 48 N 16.04 -1.26 -4.59 5.43 -0.00 -1.26 -5.14 117.00 126.23 2k46 n LEU 48 Ca 0.44 -1.76 -0.51 0.00 -0.00 0.00 0.00 56.01 54.18 2k46 n LEU 48 Cb 0.47 0.62 -0.05 0.00 -0.00 0.00 0.00 43.42 44.45 2k46 n LEU 48 CO 0.65 1.57 0.88 -2.65 -0.00 0.00 0.00 177.39 177.84 2k46 n PRO 49 N 1.35 1.24 -0.25 1.96 -0.02 -1.26 -4.85 135.00 133.17 2k46 n PRO 49 Ca 0.00 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 2k46 n PRO 49 Cb 0.72 -2.07 0.15 0.00 -0.02 0.00 0.00 33.50 32.28 2k46 n PRO 49 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2k46 h ILE 50 N 3.20 0.84 0.00 4.25 6.09 -1.88 -3.47 117.51 126.53 2k46 h ILE 50 Ca -0.46 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2k46 h ILE 50 Cb 1.33 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.80 2k46 h ILE 50 CO 0.77 0.11 0.00 -0.11 -3.07 0.00 0.00 178.15 175.85 2k46 n LEU 51 N -4.86 0.00 -0.71 2.19 0.00 -1.26 -2.00 117.00 110.36 2k46 n LEU 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.13 2k46 n LEU 51 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.71 2k46 n LEU 51 CO 0.25 0.00 0.32 0.54 0.00 0.00 0.00 177.39 178.49 2k46 n ARG 52 N 0.00 0.89 -4.13 1.96 1.74 -1.26 -4.80 116.66 111.06 2k46 n ARG 52 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2k46 n ARG 52 Cb 0.00 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.06 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k46 s SER 53 N 0.36 0.97 0.60 0.55 0.15 -1.26 -4.89 113.70 110.18 2k46 s SER 53 Ca 0.00 -0.91 -0.17 0.00 0.70 0.00 0.00 55.95 55.57 2k46 s SER 53 Cb 0.00 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2k46 s SER 53 CO 0.00 -0.44 1.10 0.21 1.20 0.00 0.00 173.24 175.32 2k46 s ASN 54 N -2.72 5.49 0.14 5.45 2.47 -1.26 -4.70 114.94 119.80 2k46 s ASN 54 Ca 0.06 2.02 -0.32 0.00 0.42 0.00 0.00 52.86 55.04 2k46 s ASN 54 Cb 0.03 -2.56 -0.09 0.00 -1.45 0.00 0.00 41.25 37.18 2k46 s ASN 54 CO -0.05 -1.37 1.55 -0.65 -3.72 0.00 0.00 177.10 172.86 2k46 h PRO 55 N 0.54 -0.37 0.21 0.43 0.11 -1.98 1.60 132.00 132.55 2k46 h PRO 55 Ca -0.48 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2k46 h PRO 55 Cb 1.24 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2k46 h PRO 55 CO 0.56 -0.25 -0.27 1.05 -0.21 0.00 0.00 178.00 178.88 2k46 h GLU 56 N -0.38 -0.52 0.00 1.05 9.09 -1.97 -0.99 114.58 120.85 2k46 h GLU 56 Ca 0.08 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2k46 h GLU 56 Cb 0.59 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2k46 h GLU 56 CO -0.60 -0.34 0.00 -3.47 0.05 0.00 0.00 179.01 174.64 2k46 n ASP 57 N -5.39 0.56 -0.24 3.06 2.03 -0.99 -1.36 116.55 114.23 2k46 n ASP 57 Ca -0.08 0.64 -0.08 0.00 0.52 0.00 0.00 54.79 55.79 2k46 n ASP 57 Cb 0.30 -0.76 0.04 0.00 -0.72 0.00 0.00 41.12 39.97 2k46 n ASP 57 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2k46 h GLN 58 N 0.00 1.10 0.00 -0.67 3.07 0.37 0.21 115.11 119.20 2k46 h GLN 58 Ca 0.00 -0.30 0.02 0.00 0.09 0.00 0.00 58.65 58.46 2k46 h GLN 58 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.73 2k46 h GLN 58 CO 0.00 1.01 -0.16 0.28 0.09 0.00 0.00 178.83 180.06 2k46 h VAL 59 N 1.02 0.62 0.00 1.86 2.07 -0.97 0.93 116.25 121.78 2k46 h VAL 59 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2k46 h VAL 59 Cb 0.45 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2k46 h VAL 59 CO 0.01 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.49 2k46 n LEU 60 N -5.29 0.00 -0.06 2.57 7.94 -0.96 -1.92 117.00 119.28 2k46 n LEU 60 Ca -0.05 0.46 0.05 0.00 -1.11 0.00 0.00 56.01 55.36 2k46 n LEU 60 Cb 0.21 -0.46 0.08 0.00 0.53 0.00 0.00 43.42 43.77 2k46 n LEU 60 CO 0.26 -0.22 0.54 -1.22 -1.11 0.00 0.00 177.39 175.64 2k46 n TYR 61 N -1.46 0.02 0.00 1.96 4.02 0.71 -4.50 117.16 117.92 2k46 n TYR 61 Ca 0.04 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 2k46 n TYR 61 Cb 0.17 -0.10 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 -0.95 0.00 0.00 -0.72 7.27 0.31 -4.72 117.38 118.57 2k46 n GLN 62 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2k46 n GLN 62 Cb 0.46 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.11 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 0.00 -4.20 1.69 -2.24 -1.14 -4.32 114.28 104.08 2k46 n THR 63 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2k46 n THR 63 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 2.27 -0.39 -0.78 -1.05 -1.25 -3.43 118.70 114.07 2k46 s GLU 64 Ca 0.00 -1.00 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 2k46 s GLU 64 Cb 0.00 -2.37 0.14 0.00 -0.44 0.00 0.00 34.13 31.46 2k46 s GLU 64 CO 0.00 0.51 0.24 0.50 0.95 0.00 0.00 175.26 177.46 2k46 s ARG 65 N -2.36 0.80 0.27 -4.83 3.52 -1.11 -4.08 118.95 111.15 2k46 s ARG 65 Ca 0.23 -1.63 -0.20 0.00 -0.13 0.00 0.00 55.73 54.01 2k46 s ARG 65 Cb -0.11 -1.59 -0.09 0.00 -1.56 0.00 0.00 34.95 31.61 2k46 s ARG 65 CO 0.16 -1.23 0.77 1.52 -0.81 0.00 0.00 175.30 175.72 2k46 s TYR 66 N 0.72 3.59 0.00 5.12 1.13 -1.26 -4.79 117.35 121.86 2k46 s TYR 66 Ca 0.20 1.43 0.00 0.00 -1.41 0.00 0.00 57.07 57.30 2k46 s TYR 66 Cb -0.19 -2.67 0.00 0.00 -1.10 0.00 0.00 41.96 38.00 2k46 s TYR 66 CO -0.02 0.25 0.00 -1.71 -2.51 0.00 0.00 175.55 171.56 2k46 n ASN 67 N 0.43 0.00 0.00 -0.18 5.15 -1.26 -5.08 115.26 114.32 2k46 n ASN 67 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k46 n ASN 67 Cb 0.51 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k46 n GLU 68 N -1.20 0.00 -3.54 1.20 2.13 -1.26 -5.15 120.64 112.82 2k46 n GLU 68 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2k46 n GLU 68 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2k46 n GLU 68 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k46 s ASP 69 N 1.80 -0.49 -0.22 4.31 1.01 -1.26 -4.72 116.67 117.10 2k46 s ASP 69 Ca 0.00 0.20 -0.10 0.00 0.71 0.00 0.00 52.55 53.37 2k46 s ASP 69 Cb 0.00 0.52 0.01 0.00 1.01 0.00 0.00 42.92 44.47 2k46 s ASP 69 CO 0.00 -0.76 0.20 -0.24 0.21 0.00 0.00 175.17 174.58 2k46 n SER 70 N 0.29 -6.93 -3.78 0.27 2.88 -1.25 -5.00 113.62 100.10 2k46 n SER 70 Ca -0.18 0.59 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 2k46 n SER 70 Cb 0.61 -3.07 -0.04 0.00 -0.75 0.00 0.00 64.21 60.96 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 -1.46 -0.08 -0.00 0.66 -0.12 -1.08 -4.98 117.98 110.92 2k46 s PHE 71 Ca 0.10 -0.28 -0.14 0.00 -0.05 0.00 0.00 56.93 56.57 2k46 s PHE 71 Cb -0.02 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2k46 s PHE 71 CO 0.47 -0.99 0.63 0.41 -0.05 0.00 0.00 175.22 175.70 2k46 n GLY 72 N -0.37 0.46 3.84 1.99 0.00 -1.26 -2.30 105.19 107.56 2k46 n GLY 72 Ca -0.08 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.66 2.29 -0.03 1.61 1.51 -0.96 -4.95 117.35 114.16 2k46 s TYR 73 Ca 0.15 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2k46 s TYR 73 Cb -0.00 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 2k46 s TYR 73 CO -0.00 -0.15 -0.17 0.16 -1.11 0.00 0.00 175.55 174.28 2k46 s ASP 74 N -4.11 2.07 -0.48 2.29 1.47 -1.26 -2.25 116.67 114.40 2k46 s ASP 74 Ca 0.40 -0.33 0.03 0.00 1.18 0.00 0.00 52.55 53.83 2k46 s ASP 74 Cb -0.01 -0.44 0.14 0.00 -0.34 0.00 0.00 42.92 42.27 2k46 s ASP 74 CO 0.24 0.17 0.29 -0.63 0.68 0.00 0.00 175.17 175.91 2k46 s ILE 75 N -0.13 1.63 0.20 2.11 1.09 0.79 -4.94 121.20 121.95 2k46 s ILE 75 Ca 0.00 -2.88 -0.33 0.00 -1.10 0.00 0.00 60.65 56.35 2k46 s ILE 75 Cb -0.10 -2.13 -0.13 0.00 -1.06 0.00 0.00 42.46 39.05 2k46 s ILE 75 CO 0.01 -0.93 1.59 -2.65 -0.10 0.00 0.00 174.94 172.86 2k46 n PRO 76 N 3.21 2.36 -4.36 2.79 -0.02 -1.26 -0.41 135.00 137.32 2k46 n PRO 76 Ca 0.12 0.85 -0.24 0.00 -2.02 0.00 0.00 63.50 62.21 2k46 n PRO 76 Cb 0.36 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 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 0.72 1.99 0.00 4.25 1.01 -1.17 -4.90 121.20 123.09 2k46 s ILE 77 Ca 0.74 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2k46 s ILE 77 Cb -0.61 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2k46 s ILE 77 CO 0.39 -0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.44 2k46 n LYS 78 N 0.45 0.00 -4.49 2.79 5.02 -1.26 -4.88 118.16 115.79 2k46 n LYS 78 Ca -0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.91 2k46 n LYS 78 Cb 0.56 -0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 35.07 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N 0.00 1.71 0.29 1.97 2.02 -1.26 -5.16 118.70 118.27 2k46 s GLU 79 Ca 0.00 -1.92 0.08 0.00 0.02 0.00 0.00 54.97 53.15 2k46 s GLU 79 Cb 0.00 -1.21 -0.06 0.00 0.10 0.00 0.00 34.13 32.96 2k46 s GLU 79 CO 0.00 -0.06 -0.08 -1.21 0.02 0.00 0.00 175.26 173.93 2k46 s GLU 80 N -3.77 1.61 0.00 1.61 8.01 -1.26 -5.01 118.70 119.88 2k46 s GLU 80 Ca 0.34 -1.80 0.00 0.00 0.01 0.00 0.00 54.97 53.51 2k46 s GLU 80 Cb 0.07 -1.33 0.00 0.00 -4.31 0.00 0.00 34.13 28.56 2k46 s GLU 80 CO 0.15 0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.93 2k46 n GLY 81 N -0.62 0.48 3.36 -1.39 0.00 -0.75 -4.90 105.19 101.36 2k46 n GLY 81 Ca -0.06 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 2.80 -0.19 1.61 0.41 -1.13 -1.52 118.70 118.69 2k46 s GLU 82 Ca 0.00 -1.19 -0.16 0.00 -0.41 0.00 0.00 54.97 53.21 2k46 s GLU 82 Cb 0.00 -3.82 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 2k46 s GLU 82 CO 0.00 -0.80 0.39 0.71 -0.49 0.00 0.00 175.26 175.06 2k46 s TYR 83 N 1.55 3.40 -0.31 1.61 1.51 -0.49 -0.05 117.35 124.57 2k46 s TYR 83 Ca 0.03 0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 56.68 2k46 s TYR 83 Cb -0.21 -2.50 0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2k46 s TYR 83 CO 0.06 0.04 0.04 0.08 -1.11 0.00 0.00 175.55 174.66 2k46 s VAL 84 N 1.12 3.33 -0.51 0.71 1.01 -1.04 -0.08 120.40 124.94 2k46 s VAL 84 Ca 0.19 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 2k46 s VAL 84 Cb -0.14 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.45 2k46 s VAL 84 CO 0.08 -0.08 0.53 -0.22 0.00 0.00 0.00 175.10 175.40 2k46 s LEU 85 N 1.33 5.49 -0.05 3.92 0.20 -1.08 -2.68 118.68 125.82 2k46 s LEU 85 Ca -0.03 -1.30 0.04 0.00 0.69 0.00 0.00 54.13 53.54 2k46 s LEU 85 Cb -0.19 -2.28 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 2k46 s LEU 85 CO 0.00 -0.82 -0.17 0.54 -0.29 0.00 0.00 176.35 175.61 2k46 s VAL 86 N 2.08 2.84 0.02 1.68 0.11 -0.88 -1.79 120.40 124.47 2k46 s VAL 86 Ca 0.08 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 2k46 s VAL 86 Cb -0.24 -2.09 -0.00 0.00 -1.53 0.00 0.00 36.38 32.52 2k46 s VAL 86 CO 0.08 0.59 0.12 -1.48 -3.33 0.00 0.00 175.10 171.07 2k46 s LEU 87 N -0.66 1.65 -0.26 2.54 0.05 -1.09 -1.67 118.68 119.24 2k46 s LEU 87 Ca 0.10 -0.36 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 2k46 s LEU 87 Cb -0.11 0.65 -0.01 0.00 -2.05 0.00 0.00 46.19 44.68 2k46 s LEU 87 CO 0.00 -0.44 0.05 -0.75 -0.55 0.00 0.00 176.35 174.66 2k46 s LYS 88 N -1.97 3.35 -0.01 1.48 2.47 -1.19 -2.55 119.74 121.33 2k46 s LYS 88 Ca -0.10 -0.68 -0.00 0.00 -1.56 0.00 0.00 55.97 53.63 2k46 s LYS 88 Cb -0.05 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 2k46 s LYS 88 CO -0.01 -0.30 0.06 -0.06 0.16 0.00 0.00 175.35 175.19 2k46 s PHE 89 N 1.53 3.24 0.34 4.03 0.08 -0.81 -1.10 117.98 125.28 2k46 s PHE 89 Ca 0.05 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 2k46 s PHE 89 Cb -0.16 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2k46 s PHE 89 CO 0.02 0.53 0.70 0.00 -0.10 0.00 0.00 175.22 176.37 2k46 s ALA 90 N -1.16 -0.65 0.43 5.36 0.00 -1.17 -1.93 121.76 122.65 2k46 s ALA 90 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2k46 s ALA 90 Cb -0.12 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2k46 s ALA 90 CO 0.13 -0.97 0.00 -1.91 0.00 0.00 0.00 175.76 173.01 2k46 n GLU 91 N -0.50 -3.23 0.00 0.00 4.07 -1.26 -2.44 120.64 117.28 2k46 n GLU 91 Ca -0.05 2.47 0.00 0.00 -0.06 0.00 0.00 57.16 59.52 2k46 n GLU 91 Cb 0.60 -2.99 0.00 0.00 -0.06 0.00 0.00 31.44 28.99 2k46 n GLU 91 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2k46 n VAL 92 N -1.91 0.00 -0.41 6.31 0.31 -1.26 -4.69 118.33 116.67 2k46 n VAL 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k46 n VAL 92 Cb 0.25 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 2k46 n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k46 n TYR 93 N -0.29 0.00 -3.29 3.52 9.36 -1.26 -4.85 117.16 120.34 2k46 n TYR 93 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k46 n TYR 93 Cb 0.00 -0.72 0.00 0.00 -0.63 0.00 0.00 39.34 37.99 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k46 n PHE 94 N -2.00 -0.15 -3.27 2.98 3.72 -1.26 -5.16 117.46 112.33 2k46 n PHE 94 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2k46 n PHE 94 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 s ALA 95 N -1.74 -1.51 -0.29 4.37 0.00 -1.26 -4.96 121.76 116.37 2k46 s ALA 95 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 2k46 s ALA 95 Cb 0.00 -2.20 0.16 0.00 0.00 0.00 0.00 23.12 21.09 2k46 s ALA 95 CO 0.00 -1.77 1.28 -1.14 0.00 0.00 0.00 175.76 174.12 2k46 s GLN 96 N 2.62 0.24 0.18 0.00 2.00 -1.26 -5.17 119.66 118.26 2k46 s GLN 96 Ca 0.10 0.27 -0.01 0.00 -2.00 0.00 0.00 55.36 53.72 2k46 s GLN 96 Cb -0.12 0.12 -0.04 0.00 0.80 0.00 0.00 33.01 33.77 2k46 s GLN 96 CO -0.29 -0.03 0.37 -1.12 -0.50 0.00 0.00 175.29 173.72 2k46 s SER 97 N 0.03 6.39 -1.17 6.67 0.01 -1.26 -4.53 113.70 119.83 2k46 s SER 97 Ca 0.06 0.39 -0.08 0.00 1.31 0.00 0.00 55.95 57.62 2k46 s SER 97 Cb -0.05 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2k46 s SER 97 CO -0.11 -0.02 0.81 0.00 0.41 0.00 0.00 173.24 174.33 2k46 n GLN 98 N -0.54 -3.10 0.02 12.44 1.13 -1.26 -4.84 117.38 121.23 2k46 n GLN 98 Ca -0.05 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2k46 n GLN 98 Cb 0.53 -5.08 0.00 0.00 0.11 0.00 0.00 30.24 25.81 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 -3.94 0.00 -2.88 -1.09 7.27 -1.26 -4.98 117.38 110.51 2k46 n GLN 99 Ca -0.17 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.46 2k46 n GLN 99 Cb 0.63 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 2k46 n GLN 99 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2k46 n LYS 100 N -2.61 3.44 -3.74 3.69 4.76 -1.26 -4.87 118.16 117.58 2k46 n LYS 100 Ca 0.00 -3.85 -0.38 0.00 -2.87 0.00 0.00 58.31 51.21 2k46 n LYS 100 Cb 0.00 -2.98 -0.12 0.00 -1.84 0.00 0.00 35.03 30.09 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k46 s VAL 101 N 1.11 3.95 0.56 -0.18 -7.23 -1.26 -3.22 120.40 114.12 2k46 s VAL 101 Ca 0.41 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 2k46 s VAL 101 Cb -0.01 -3.16 0.06 0.00 0.56 0.00 0.00 36.38 33.83 2k46 s VAL 101 CO -0.00 -0.09 0.53 -0.36 -0.31 0.00 0.00 175.10 174.87 2k46 s PHE 102 N 1.46 1.52 -0.02 2.82 0.08 -1.08 -4.20 117.98 118.56 2k46 s PHE 102 Ca 0.00 -0.81 0.06 0.00 0.12 0.00 0.00 56.93 56.31 2k46 s PHE 102 Cb -0.19 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2k46 s PHE 102 CO 0.03 -0.71 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.72 2k46 s ASP 103 N -4.41 2.47 -0.02 1.36 1.11 -1.06 -0.02 116.67 116.10 2k46 s ASP 103 Ca 0.43 -0.38 -0.00 0.00 0.18 0.00 0.00 52.55 52.77 2k46 s ASP 103 Cb -0.03 -0.28 0.02 0.00 1.07 0.00 0.00 42.92 43.70 2k46 s ASP 103 CO 0.27 0.26 0.03 -0.69 1.18 0.00 0.00 175.17 176.22 2k46 s VAL 104 N -0.49 -0.04 0.07 -1.27 1.01 -0.70 -2.28 120.40 116.70 2k46 s VAL 104 Ca 0.08 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2k46 s VAL 104 Cb -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2k46 s VAL 104 CO -0.01 0.06 -0.10 -0.13 0.00 0.00 0.00 175.10 174.92 2k46 s ARG 105 N 0.74 0.72 -0.21 2.72 0.52 0.54 -1.52 118.95 122.46 2k46 s ARG 105 Ca -0.06 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2k46 s ARG 105 Cb -0.09 -0.50 0.02 0.00 0.52 0.00 0.00 34.95 34.91 2k46 s ARG 105 CO -0.02 0.09 -0.14 0.14 0.02 0.00 0.00 175.30 175.39 2k46 s VAL 106 N -1.82 2.38 -1.79 3.52 -7.23 0.52 -1.89 120.40 114.09 2k46 s VAL 106 Ca -0.02 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2k46 s VAL 106 Cb -0.07 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2k46 s VAL 106 CO 0.00 0.38 0.00 0.59 -0.31 0.00 0.00 175.10 175.76 2k46 n ASN 107 N 4.62 -5.46 0.00 4.85 5.03 0.17 -0.91 115.26 123.55 2k46 n ASN 107 Ca -0.19 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.42 2k46 n ASN 107 Cb 0.48 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 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 -0.80 0.71 3.10 7.41 0.00 -1.20 -4.82 105.19 109.59 2k46 n GLY 108 Ca -0.22 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 3.29 -0.04 1.61 3.76 -0.09 -5.02 115.29 116.79 2k46 s HIS 109 Ca 0.00 -2.20 -0.30 0.00 -0.15 0.00 0.00 55.06 52.42 2k46 s HIS 109 Cb 0.00 -2.03 -0.07 0.00 1.11 0.00 0.00 32.58 31.59 2k46 s HIS 109 CO 0.00 -0.86 1.88 0.95 -0.85 0.00 0.00 174.74 175.86 2k46 s THR 110 N 1.15 3.23 -0.10 1.30 -4.23 -1.26 -0.35 115.64 115.37 2k46 s THR 110 Ca -0.07 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 2k46 s THR 110 Cb -0.20 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.34 2k46 s THR 110 CO -0.04 -0.05 -0.01 0.52 -0.54 0.00 0.00 174.62 174.51 2k46 n VAL 111 N 5.89 0.65 -3.67 2.29 0.31 -0.58 -4.86 118.33 118.37 2k46 n VAL 111 Ca 0.20 -0.36 -0.29 0.00 -0.01 0.00 0.00 64.34 63.88 2k46 n VAL 111 Cb 0.42 -0.80 -0.13 0.00 -0.91 0.00 0.00 33.84 32.42 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 1.10 -0.91 2.52 1.01 -1.14 -5.03 120.40 115.71 2k46 s VAL 112 Ca -0.08 -2.24 -0.05 0.00 0.00 0.00 0.00 61.98 59.61 2k46 s VAL 112 Cb 0.03 -1.78 0.23 0.00 0.00 0.00 0.00 36.38 34.86 2k46 s VAL 112 CO 0.35 -0.88 0.83 -0.75 0.00 0.00 0.00 175.10 174.64 2k46 s LYS 113 N 0.66 3.46 0.00 2.72 2.20 -1.26 -1.73 119.74 125.79 2k46 s LYS 113 Ca 0.17 -3.11 0.00 0.00 -0.36 0.00 0.00 55.97 52.67 2k46 s LYS 113 Cb -0.23 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 2k46 s LYS 113 CO -0.03 -1.25 0.00 -0.40 -0.36 0.00 0.00 175.35 173.31 2k46 n ASP 114 N 2.70 0.00 -4.56 1.43 5.68 0.97 -4.96 116.55 117.80 2k46 n ASP 114 Ca 0.20 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.26 2k46 n ASP 114 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 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 3.04 -0.88 -2.12 0.20 -0.37 -4.54 118.68 114.00 2k46 s LEU 115 Ca 0.00 -0.67 -0.09 0.00 0.69 0.00 0.00 54.13 54.06 2k46 s LEU 115 Cb 0.00 -2.56 0.23 0.00 -0.43 0.00 0.00 46.19 43.42 2k46 s LEU 115 CO 0.00 -3.16 0.81 1.51 -0.29 0.00 0.00 176.35 175.23 2k46 s ASP 116 N 8.47 6.58 0.25 3.68 1.47 -1.20 -2.63 116.67 133.30 2k46 s ASP 116 Ca 0.75 -3.10 -0.04 0.00 1.18 0.00 0.00 52.55 51.34 2k46 s ASP 116 Cb -0.07 -2.12 0.47 0.00 -0.34 0.00 0.00 42.92 40.86 2k46 s ASP 116 CO 0.04 -0.41 1.71 0.40 0.68 0.00 0.00 175.17 177.59 2k46 h ILE 117 N 4.45 0.60 0.29 2.11 2.04 -1.89 -1.77 117.51 123.35 2k46 h ILE 117 Ca 0.12 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2k46 h ILE 117 Cb 0.95 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2k46 h ILE 117 CO 0.83 0.07 -0.46 0.15 0.00 0.00 0.00 178.15 178.74 2k46 h PHE 118 N 0.37 -1.29 -0.07 1.37 3.57 -1.87 -1.62 116.94 117.39 2k46 h PHE 118 Ca 0.42 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.96 2k46 h PHE 118 Cb 0.68 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2k46 h PHE 118 CO -0.20 -0.59 0.07 0.22 -2.23 0.00 0.00 178.31 175.58 2k46 h ASP 119 N -0.81 0.00 0.76 0.41 1.82 -1.68 0.33 116.42 117.25 2k46 h ASP 119 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 2k46 h ASP 119 Cb 0.77 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.78 2k46 h ASP 119 CO -0.16 0.00 -0.36 0.03 -1.61 0.00 0.00 179.24 177.13 2k46 h ARG 120 N 0.00 -0.98 0.00 0.28 2.47 -0.45 -3.42 114.38 112.29 2k46 h ARG 120 Ca 0.03 0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 2k46 h ARG 120 Cb 0.17 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2k46 h ARG 120 CO -0.00 -0.64 -1.43 1.33 0.56 0.00 0.00 179.97 179.79 2k46 n VAL 121 N -5.45 0.43 0.00 2.04 0.24 -1.05 -5.12 118.33 109.42 2k46 n VAL 121 Ca -0.13 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k46 n VAL 121 Cb 0.41 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 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 3.09 0.43 3.51 7.63 0.00 0.12 -5.05 105.19 114.92 2k46 n GLY 122 Ca -0.13 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 3.13 0.00 1.61 2.46 -1.26 -4.24 115.29 116.99 2k46 s HIS 123 Ca 0.00 -0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.37 2k46 s HIS 123 Cb 0.00 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.38 2k46 s HIS 123 CO 0.00 -0.74 0.00 0.45 -2.47 0.00 0.00 174.74 171.98 2k46 n SER 124 N 5.88 0.00 -0.63 9.88 2.88 -1.26 -4.98 113.62 125.38 2k46 n SER 124 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2k46 n SER 124 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -4.35 2.46 -2.24 -0.85 -4.74 114.28 104.56 2k46 n THR 125 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2k46 n THR 125 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.94 3.18 0.09 6.98 0.00 -1.26 -4.59 121.76 124.22 2k46 s ALA 126 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2k46 s ALA 126 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2k46 s ALA 126 CO 0.00 0.40 -0.09 -1.58 0.00 0.00 0.00 175.76 174.49 2k46 s HIS 127 N -0.27 2.77 -0.07 0.00 2.46 -0.81 -4.93 115.29 114.44 2k46 s HIS 127 Ca 0.06 -0.14 -0.05 0.00 0.47 0.00 0.00 55.06 55.40 2k46 s HIS 127 Cb -0.12 -1.47 0.03 0.00 -0.13 0.00 0.00 32.58 30.89 2k46 s HIS 127 CO 0.02 0.41 0.17 0.16 -2.47 0.00 0.00 174.74 173.03 2k46 s ASP 128 N -2.06 -0.16 -0.14 9.88 -4.77 -1.26 -1.92 116.67 116.23 2k46 s ASP 128 Ca 0.21 0.34 0.01 0.00 -3.30 0.00 0.00 52.55 49.81 2k46 s ASP 128 Cb -0.11 0.30 0.02 0.00 -1.09 0.00 0.00 42.92 42.03 2k46 s ASP 128 CO 0.13 -0.10 -0.15 -1.61 0.70 0.00 0.00 175.17 174.14 2k46 s GLU 129 N 0.59 2.33 -0.20 2.11 2.02 -1.06 -5.00 118.70 119.49 2k46 s GLU 129 Ca -0.04 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 2k46 s GLU 129 Cb -0.06 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 2k46 s GLU 129 CO -0.03 -0.17 0.03 0.42 0.02 0.00 0.00 175.26 175.54 2k46 s ILE 130 N 1.28 4.32 -0.50 -1.63 1.01 -1.26 -2.67 121.20 121.76 2k46 s ILE 130 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2k46 s ILE 130 Cb -0.14 -2.96 0.15 0.00 0.01 0.00 0.00 42.46 39.53 2k46 s ILE 130 CO -0.07 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 174.98 2k46 s ILE 131 N 0.81 1.61 0.45 2.92 1.09 -0.74 -5.02 121.20 122.34 2k46 s ILE 131 Ca 0.02 -3.01 -0.25 0.00 -1.10 0.00 0.00 60.65 56.31 2k46 s ILE 131 Cb -0.14 -2.10 -0.08 0.00 -1.06 0.00 0.00 42.46 39.08 2k46 s ILE 131 CO 0.02 -0.98 1.38 -2.84 -0.10 0.00 0.00 174.94 172.43 2k46 s PRO 132 N -0.15 3.69 0.08 2.79 0.02 -1.26 -2.62 135.00 137.55 2k46 s PRO 132 Ca 0.22 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.57 2k46 s PRO 132 Cb -0.15 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 2k46 s PRO 132 CO -0.07 -0.78 -0.06 0.42 -0.33 0.00 0.00 177.00 176.18 2k46 s ILE 133 N -1.24 0.55 -0.19 2.83 1.01 0.89 -4.32 121.20 120.73 2k46 s ILE 133 Ca 0.61 -1.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 2k46 s ILE 133 Cb -0.42 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 40.56 2k46 s ILE 133 CO 0.53 -0.87 0.03 -0.94 0.00 0.00 0.00 174.94 173.69 2k46 s SER 134 N -2.90 2.92 -0.17 3.58 1.04 -1.05 -1.39 113.70 115.73 2k46 s SER 134 Ca 0.09 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 2k46 s SER 134 Cb 0.05 -0.61 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 2k46 s SER 134 CO -0.06 -0.30 -0.02 -0.63 0.98 0.00 0.00 173.24 173.21 2k46 s ILE 135 N 1.84 3.99 -0.08 -1.02 1.01 -0.58 -1.74 121.20 124.63 2k46 s ILE 135 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 2k46 s ILE 135 Cb -0.17 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2k46 s ILE 135 CO -0.08 0.47 0.22 -0.54 0.00 0.00 0.00 174.94 175.01 2k46 s LYS 136 N 0.55 0.27 -0.95 2.79 -0.14 -0.72 -1.82 119.74 119.72 2k46 s LYS 136 Ca -0.02 0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 2k46 s LYS 136 Cb -0.14 0.13 0.00 0.00 -1.68 0.00 0.00 37.83 36.14 2k46 s LYS 136 CO 0.02 -0.04 0.00 1.63 -0.76 0.00 0.00 175.35 176.21 2k46 n LYS 137 N 2.86 -1.74 -0.45 1.68 5.02 -1.26 -0.83 118.16 123.44 2k46 n LYS 137 Ca -0.13 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2k46 n LYS 137 Cb 0.58 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 0.34 0.82 3.45 0.72 0.00 -1.26 -5.07 105.19 104.18 2k46 n GLY 138 Ca -0.09 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.97 1.61 -0.12 1.61 1.02 -0.01 -2.54 119.74 120.35 2k46 s LYS 139 Ca 0.00 -1.38 -0.00 0.00 0.02 0.00 0.00 55.97 54.61 2k46 s LYS 139 Cb 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2k46 s LYS 139 CO 0.00 0.43 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.59 2k46 s LEU 140 N -2.43 2.93 -0.26 3.17 0.20 0.01 -1.76 118.68 120.54 2k46 s LEU 140 Ca 0.19 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2k46 s LEU 140 Cb -0.09 -1.66 0.06 0.00 -0.43 0.00 0.00 46.19 44.07 2k46 s LEU 140 CO 0.10 0.22 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.74 2k46 s SER 141 N 0.02 4.36 -0.35 3.68 0.15 -0.71 -1.06 113.70 119.78 2k46 s SER 141 Ca -0.02 -1.42 -0.11 0.00 0.70 0.00 0.00 55.95 55.10 2k46 s SER 141 Cb -0.14 -1.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.70 2k46 s SER 141 CO 0.04 -0.21 0.20 0.54 1.20 0.00 0.00 173.24 175.00 2k46 s VAL 142 N 1.14 4.68 0.00 4.45 0.11 -0.41 -2.54 120.40 127.83 2k46 s VAL 142 Ca -0.07 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2k46 s VAL 142 Cb -0.20 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2k46 s VAL 142 CO -0.06 -0.11 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 2k46 n GLN 143 N 5.01 0.00 -0.99 1.54 1.13 -1.26 -0.80 117.38 122.01 2k46 n GLN 143 Ca -0.13 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 54.98 2k46 n GLN 143 Cb 0.47 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.90 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 2.26 3.00 1.08 0.00 -1.26 -5.06 105.19 105.20 2k46 n GLY 144 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.03 0.68 -0.11 1.61 2.56 0.02 -5.15 118.70 117.29 2k46 s GLU 145 Ca 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 54.97 54.95 2k46 s GLU 145 Cb 0.31 -0.66 -0.03 0.00 2.00 0.00 0.00 34.13 35.74 2k46 s GLU 145 CO -0.10 0.15 0.03 0.54 -0.56 0.00 0.00 175.26 175.32 2k46 s VAL 146 N -0.08 4.54 -0.27 3.70 0.11 -1.26 -1.29 120.40 125.85 2k46 s VAL 146 Ca 0.02 -0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 58.76 2k46 s VAL 146 Cb -0.04 -2.95 0.08 0.00 -1.53 0.00 0.00 36.38 31.94 2k46 s VAL 146 CO -0.00 0.58 0.67 -0.44 -3.33 0.00 0.00 175.10 172.57 2k46 s SER 147 N -0.65 -0.92 0.46 3.54 0.01 -0.23 -5.02 113.70 110.89 2k46 s SER 147 Ca 0.11 1.47 -0.25 0.00 1.31 0.00 0.00 55.95 58.59 2k46 s SER 147 Cb -0.12 1.37 -0.08 0.00 0.21 0.00 0.00 66.02 67.40 2k46 s SER 147 CO 0.02 -0.24 1.39 0.35 0.41 0.00 0.00 173.24 175.17 2k46 n THR 148 N 4.35 2.89 -2.71 1.44 -2.24 -1.26 -0.81 114.28 115.94 2k46 n THR 148 Ca -0.20 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 2k46 n THR 148 Cb 0.58 -1.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.00 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 -1.21 3.91 -0.34 4.78 5.36 -1.05 -4.62 117.98 124.81 2k46 s PHE 149 Ca 0.63 1.87 -0.01 0.00 -0.96 0.00 0.00 56.93 58.46 2k46 s PHE 149 Cb -0.46 -3.03 0.12 0.00 -0.34 0.00 0.00 43.02 39.31 2k46 s PHE 149 CO 0.56 0.29 0.16 -0.08 -1.46 0.00 0.00 175.22 174.70 2k46 s THR 150 N -1.00 0.58 0.00 0.12 -1.32 -1.26 -4.88 115.64 107.88 2k46 s THR 150 Ca 0.42 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2k46 s THR 150 Cb -0.26 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 2k46 s THR 150 CO 0.33 -0.82 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 2k46 n GLY 151 N 4.46 0.88 3.57 6.08 0.00 -1.26 -4.79 105.19 114.12 2k46 n GLY 151 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.50 -0.17 1.61 0.00 -1.26 -3.06 119.74 118.35 2k46 s LYS 152 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 55.97 54.63 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 -0.62 0.49 -1.17 0.00 0.00 0.00 175.35 174.05 2k46 s LEU 153 N -2.98 4.19 -0.23 2.77 0.20 0.46 -4.84 118.68 118.26 2k46 s LEU 153 Ca 0.19 0.71 -0.02 0.00 0.69 0.00 0.00 54.13 55.69 2k46 s LEU 153 Cb -0.01 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.08 2k46 s LEU 153 CO 0.06 -0.11 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.38 2k46 s SER 154 N 0.96 4.08 -0.67 3.68 0.15 -1.26 -0.15 113.70 120.48 2k46 s SER 154 Ca 0.24 -0.66 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 2k46 s SER 154 Cb -0.15 -1.65 0.11 0.00 -1.71 0.00 0.00 66.02 62.61 2k46 s SER 154 CO 0.10 -0.06 0.82 -0.69 1.20 0.00 0.00 173.24 174.60 2k46 s VAL 155 N 1.37 4.76 -0.08 4.45 1.01 -0.95 0.42 120.40 131.38 2k46 s VAL 155 Ca 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2k46 s VAL 155 Cb -0.15 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2k46 s VAL 155 CO -0.06 -1.24 0.05 -0.70 0.00 0.00 0.00 175.10 173.15 2k46 s GLU 156 N 2.79 3.09 0.03 2.72 2.12 -0.80 -2.27 118.70 126.39 2k46 s GLU 156 Ca 0.17 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2k46 s GLU 156 Cb -0.19 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 2k46 s GLU 156 CO 0.04 0.71 -0.13 0.12 -0.54 0.00 0.00 175.26 175.46 2k46 s PHE 157 N -0.98 1.12 -0.02 5.30 2.19 -0.97 -0.34 117.98 124.27 2k46 s PHE 157 Ca 0.16 -0.34 0.06 0.00 0.33 0.00 0.00 56.93 57.13 2k46 s PHE 157 Cb -0.12 -0.67 -0.02 0.00 -1.31 0.00 0.00 43.02 40.90 2k46 s PHE 157 CO 0.05 0.02 -0.19 0.08 1.83 0.00 0.00 175.22 177.00 2k46 s VAL 158 N -0.83 2.63 0.60 3.12 1.01 -0.97 -2.65 120.40 123.32 2k46 s VAL 158 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 2k46 s VAL 158 Cb -0.08 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2k46 s VAL 158 CO 0.01 0.54 1.21 2.29 0.00 0.00 0.00 175.10 179.15 2k46 n LYS 159 N 2.23 1.23 0.00 2.72 2.85 -1.26 -2.55 118.16 123.38 2k46 n LYS 159 Ca -0.17 0.47 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 2k46 n LYS 159 Cb 0.52 -2.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 2k46 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k46 n GLY 160 N 0.99 0.00 2.66 2.58 0.00 -1.26 -4.79 105.19 105.37 2k46 n GLY 160 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.53 -0.60 -1.32 1.61 9.36 -1.26 -4.83 117.16 118.59 2k46 n TYR 161 Ca 0.00 -0.85 0.15 0.00 3.32 0.00 0.00 57.90 60.53 2k46 n TYR 161 Cb 0.28 1.22 -0.08 0.00 -0.63 0.00 0.00 39.34 40.13 2k46 n TYR 161 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2k46 n TYR 162 N -0.40 -3.54 -2.83 2.98 4.01 -1.26 -4.97 117.16 111.14 2k46 n TYR 162 Ca -0.23 1.96 -0.01 0.00 -0.16 0.00 0.00 57.90 59.47 2k46 n TYR 162 Cb 0.68 -3.21 -0.01 0.00 -0.31 0.00 0.00 39.34 36.49 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2k46 n ASP 163 N -4.06 -6.64 -3.86 7.72 9.92 -1.26 -4.95 116.55 113.43 2k46 n ASP 163 Ca -0.08 1.17 -0.25 0.00 -0.53 0.00 0.00 54.79 55.10 2k46 n ASP 163 Cb 0.62 -4.30 0.16 0.00 -0.64 0.00 0.00 41.12 36.96 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k46 n ASN 164 N 1.08 -2.83 0.22 -2.24 4.13 -1.26 -4.61 115.26 109.74 2k46 n ASN 164 Ca -0.06 -0.31 0.02 0.00 1.68 0.00 0.00 54.58 55.91 2k46 n ASN 164 Cb 0.21 -0.84 0.10 0.00 -1.54 0.00 0.00 39.78 37.70 2k46 n ASN 164 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k46 h PRO 165 N -2.45 0.00 0.00 3.52 0.11 -1.94 -3.44 132.00 127.79 2k46 h PRO 165 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2k46 h PRO 165 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k46 h PRO 165 CO 0.25 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.67 2k46 n LYS 166 N -2.04 0.00 -2.91 1.05 5.02 -1.26 -4.51 118.16 113.51 2k46 n LYS 166 Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2k46 n LYS 166 Cb 0.73 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.70 2k46 n LYS 166 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k46 s VAL 167 N 0.00 4.90 -0.07 -0.18 1.01 -1.02 -3.61 120.40 121.42 2k46 s VAL 167 Ca 0.00 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 2k46 s VAL 167 Cb 0.00 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2k46 s VAL 167 CO 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 175.31 2k46 n ALA 169 N 4.70 4.62 -1.00 0.00 0.00 -0.26 -0.30 120.51 128.27 2k46 n ALA 169 Ca -0.14 -3.64 -0.39 0.00 0.00 0.00 0.00 53.44 49.27 2k46 n ALA 169 Cb 0.50 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.84 -0.16 -3.34 0.00 -0.00 0.19 -3.14 117.00 109.72 2k46 n LEU 170 Ca 0.37 0.78 -0.12 0.00 -0.00 0.00 0.00 56.01 57.04 2k46 n LEU 170 Cb 0.89 -0.63 -0.07 0.00 -0.00 0.00 0.00 43.42 43.61 2k46 n LEU 170 CO 0.27 -1.42 -0.11 0.12 -0.00 0.00 0.00 177.39 176.25 2k46 s PHE 171 N -0.12 -0.80 -0.20 1.96 5.36 -0.67 -0.43 117.98 123.08 2k46 s PHE 171 Ca 0.58 0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 56.61 2k46 s PHE 171 Cb -0.82 -0.27 -0.02 0.00 -0.34 0.00 0.00 43.02 41.57 2k46 s PHE 171 CO 0.38 -0.97 -0.01 -1.50 -1.46 0.00 0.00 175.22 171.67 2k46 s ILE 172 N 2.42 3.85 0.33 3.12 2.07 -0.21 -2.07 121.20 130.71 2k46 s ILE 172 Ca 0.10 -0.35 0.09 0.00 -1.41 0.00 0.00 60.65 59.08 2k46 s ILE 172 Cb -0.13 -2.73 -0.05 0.00 0.13 0.00 0.00 42.46 39.68 2k46 s ILE 172 CO -0.30 0.43 0.01 0.00 -1.91 0.00 0.00 174.94 173.17 2k46 s MET 173 N 1.00 2.09 -0.04 3.50 0.00 -1.09 -2.79 119.30 121.98 2k46 s MET 173 Ca 0.01 -1.70 0.07 0.00 0.00 0.00 0.00 55.69 54.07 2k46 s MET 173 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 34.83 32.71 2k46 s MET 173 CO 0.01 0.17 -0.25 0.21 0.00 0.00 0.00 175.02 175.16 2k46 s LYS 174 N -3.71 2.27 0.00 3.16 2.47 -1.01 -2.50 119.74 120.42 2k46 s LYS 174 Ca 0.34 -0.90 0.00 0.00 -1.56 0.00 0.00 55.97 53.85 2k46 s LYS 174 Cb -0.01 -2.06 0.00 0.00 -1.46 0.00 0.00 37.83 34.30 2k46 s LYS 174 CO 0.19 0.47 0.00 0.41 0.16 0.00 0.00 175.35 176.59 2k46 n GLY 175 N 2.67 2.68 0.00 5.54 0.00 0.93 -4.76 105.19 112.26 2k46 n GLY 175 Ca -0.17 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.13 2.61 -2.24 0.07 -2.82 114.28 112.03 2k46 n THR 176 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 2k46 n THR 176 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.35 6.98 0.00 -1.95 -3.34 119.26 121.31 2k46 h ALA 177 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k46 h ALA 177 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k46 h ALA 177 CO 0.00 0.26 0.13 0.22 0.00 0.00 0.00 179.25 179.87 2k46 h ASP 178 N 0.00 0.44 -0.56 0.00 3.58 -1.99 -2.56 116.42 115.32 2k46 h ASP 178 Ca -0.03 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.45 2k46 h ASP 178 Cb 1.16 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 42.05 2k46 h ASP 178 CO 0.02 0.41 0.26 -0.78 -2.88 0.00 0.00 179.24 176.26 2k46 h ASP 179 N 0.49 0.33 -0.04 2.28 1.82 -1.99 -3.41 116.42 115.90 2k46 h ASP 179 Ca 0.12 0.05 -0.51 0.00 -0.39 0.00 0.00 57.03 56.30 2k46 h ASP 179 Cb 0.11 -0.01 -0.09 0.00 0.68 0.00 0.00 39.33 40.02 2k46 h ASP 179 CO -0.01 0.22 1.74 0.52 -1.61 0.00 0.00 179.24 180.10 2k46 n VAL 180 N -4.92 -0.00 -1.54 2.25 0.31 -0.97 -4.77 118.33 108.69 2k46 n VAL 180 Ca 0.06 -0.02 -0.50 0.00 -0.01 0.00 0.00 64.34 63.87 2k46 n VAL 180 Cb 0.19 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 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 8.49 1.42 -3.71 5.55 -0.02 -1.26 -4.94 135.00 140.53 2k46 n PRO 181 Ca 0.65 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 62.22 2k46 n PRO 181 Cb 0.04 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 30.89 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 5.48 4.18 0.03 -0.52 -1.94 -1.26 -4.83 119.30 120.43 2k46 s MET 182 Ca 1.04 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 2k46 s MET 182 Cb -0.79 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 32.62 2k46 s MET 182 CO 0.50 0.27 0.00 1.28 -0.01 0.00 0.00 175.02 177.06 2k46 n LEU 183 N 3.62 -6.58 -4.49 -0.03 4.77 -1.26 -4.90 117.00 108.13 2k46 n LEU 183 Ca -0.16 2.86 -0.37 0.00 -0.03 0.00 0.00 56.01 58.31 2k46 n LEU 183 Cb 0.52 -3.23 0.05 0.00 -2.33 0.00 0.00 43.42 38.43 2k46 n LEU 183 CO 0.37 -2.83 0.13 0.00 -1.33 0.00 0.00 177.39 173.72 2k46 n GLN 184 N 1.82 0.48 -1.83 3.23 6.02 -1.26 -4.83 117.38 121.01 2k46 n GLN 184 Ca 0.00 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 2k46 n GLN 184 Cb 0.00 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.42 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k46 s PRO 185 N -2.45 4.17 0.01 -1.09 0.04 -1.26 -5.00 135.00 129.41 2k46 s PRO 185 Ca 0.69 2.45 0.03 0.00 0.04 0.00 0.00 61.00 64.21 2k46 s PRO 185 Cb -0.40 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 2k46 s PRO 185 CO 0.55 -0.80 -0.10 -1.58 0.04 0.00 0.00 177.00 175.11 2k46 s HIS 186 N 2.87 0.84 0.14 0.56 2.46 -1.26 -5.06 115.29 115.83 2k46 s HIS 186 Ca 0.78 -0.24 -0.05 0.00 0.47 0.00 0.00 55.06 56.02 2k46 s HIS 186 Cb -0.42 -0.52 -0.07 0.00 -0.13 0.00 0.00 32.58 31.44 2k46 s HIS 186 CO 0.34 -0.01 1.34 -1.00 -2.47 0.00 0.00 174.74 172.94 2k46 h PRO 187 N 5.53 0.49 0.00 2.88 0.13 -1.97 -3.47 132.00 135.59 2k46 h PRO 187 Ca -0.33 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2k46 h PRO 187 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2k46 h PRO 187 CO 0.47 1.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 2k46 n GLY 188 N 0.80 4.79 3.89 1.56 0.00 -1.26 -5.13 105.19 109.84 2k46 n GLY 188 Ca -0.06 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 3.75 0.00 0.99 1.02 -1.26 -5.19 118.68 117.99 2k46 s LEU 189 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.18 2k46 s LEU 189 Cb 0.00 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.27 2k46 s LEU 189 CO 0.00 -0.47 0.00 1.21 0.02 0.00 0.00 176.35 177.11