#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 3.27 0.10 4.61 0.00 -1.26 -4.59 121.76 123.89 2k46 s ALA 2 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 51.96 49.39 2k46 s ALA 2 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2k46 s ALA 2 CO 0.00 -3.00 0.00 -1.33 0.00 0.00 0.00 175.76 171.43 2k46 n MET 3 N 6.93 0.00 -2.64 0.00 0.00 -1.26 -4.83 117.12 115.32 2k46 n MET 3 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.48 2k46 n MET 3 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 33.22 33.53 2k46 n MET 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k46 s SER 4 N -5.12 7.34 0.00 7.83 1.04 -1.26 -4.48 113.70 119.05 2k46 s SER 4 Ca 0.00 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.24 2k46 s SER 4 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2k46 s SER 4 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2k46 n GLY 5 N 2.68 0.08 0.18 7.32 0.00 -1.26 -4.93 105.19 109.25 2k46 n GLY 5 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.54 -2.45 0.99 5.85 -1.81 -2.59 115.31 115.85 2k46 h LEU 6 Ca 0.00 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2k46 h LEU 6 Cb 0.00 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2k46 h LEU 6 CO 0.00 0.78 0.17 0.00 -0.34 0.00 0.00 178.44 179.05 2k46 h ALA 7 N 0.78 1.29 0.00 1.25 0.00 -1.77 -0.49 119.26 120.32 2k46 h ALA 7 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k46 h ALA 7 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k46 h ALA 7 CO 0.03 -0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.65 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 5.19 -1.81 -3.26 116.42 116.54 2k46 h ASP 8 Ca 0.02 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.19 2k46 h ASP 8 Cb 0.36 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 2k46 h ASP 8 CO -0.00 0.00 -1.99 0.29 -3.12 0.00 0.00 179.24 174.42 2k46 n LYS 9 N -2.46 1.41 -1.33 3.56 4.76 -0.22 -5.02 118.16 118.86 2k46 n LYS 9 Ca 0.04 -0.03 -0.44 0.00 -2.87 0.00 0.00 58.31 55.01 2k46 n LYS 9 Cb 0.38 -1.38 -0.01 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 -2.49 1.09 0.00 -0.18 3.14 -1.05 -2.85 118.33 116.00 2k46 n VAL 10 Ca -0.21 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 2k46 n VAL 10 Cb 0.91 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 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 -0.69 0.00 -3.64 1.55 -5.35 -1.17 -4.84 119.36 105.22 2k46 n ILE 11 Ca 0.13 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.56 2k46 n ILE 11 Cb 0.35 -0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.18 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 -0.48 -0.29 -0.12 4.28 -0.00 -1.12 -5.08 118.94 116.13 2k46 s TRP 12 Ca 0.00 0.68 -0.25 0.00 -0.00 0.00 0.00 56.10 56.53 2k46 s TRP 12 Cb 0.00 0.38 0.06 0.00 -0.00 0.00 0.00 33.47 33.91 2k46 s TRP 12 CO 0.00 -0.14 0.60 0.00 -0.00 0.00 0.00 176.95 177.41 2k46 s ALA 13 N 0.35 -1.52 -0.13 5.86 0.00 -1.26 -0.92 121.76 124.14 2k46 s ALA 13 Ca 0.02 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 2k46 s ALA 13 Cb -0.05 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.73 2k46 s ALA 13 CO -0.11 -0.32 0.27 0.08 0.00 0.00 0.00 175.76 175.68 2k46 s VAL 14 N -0.60 -0.24 -0.37 0.00 1.01 0.50 -0.36 120.40 120.34 2k46 s VAL 14 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2k46 s VAL 14 Cb -0.03 -0.44 0.10 0.00 0.00 0.00 0.00 36.38 36.01 2k46 s VAL 14 CO 0.05 0.09 0.13 0.21 0.00 0.00 0.00 175.10 175.58 2k46 s ASN 15 N 1.87 5.06 -0.45 3.32 2.47 -1.26 0.51 114.94 126.47 2k46 s ASN 15 Ca -0.04 -1.98 -0.27 0.00 0.42 0.00 0.00 52.86 50.99 2k46 s ASN 15 Cb -0.11 -1.75 -0.03 0.00 -1.45 0.00 0.00 41.25 37.91 2k46 s ASN 15 CO -0.09 -0.46 1.95 0.00 -3.72 0.00 0.00 177.10 174.77 2k46 s ALA 16 N 1.08 2.41 0.00 1.71 0.00 0.36 -3.54 121.76 123.78 2k46 s ALA 16 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2k46 s ALA 16 Cb -0.21 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2k46 s ALA 16 CO -0.05 -3.39 0.00 0.41 0.00 0.00 0.00 175.76 172.73 2k46 n GLY 17 N 5.64 -0.64 0.00 0.00 0.00 -1.25 -3.17 105.19 105.76 2k46 n GLY 17 Ca 0.25 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.75 3.42 -0.02 0.00 -1.23 -4.26 105.19 103.85 2k46 n GLY 18 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 2.46 0.32 -0.31 1.61 2.12 -1.26 -3.92 118.70 119.73 2k46 s GLU 19 Ca 0.00 0.81 -0.25 0.00 0.36 0.00 0.00 54.97 55.89 2k46 s GLU 19 Cb 0.00 0.49 0.04 0.00 0.26 0.00 0.00 34.13 34.92 2k46 s GLU 19 CO 0.00 -0.12 0.45 0.43 -0.54 0.00 0.00 175.26 175.48 2k46 n SER 20 N 5.04 -6.05 -4.43 -1.70 7.64 -1.18 -4.89 113.62 108.06 2k46 n SER 20 Ca -0.09 0.10 -0.31 0.00 1.01 0.00 0.00 58.87 59.58 2k46 n SER 20 Cb 0.52 -1.99 -0.13 0.00 -1.01 0.00 0.00 64.21 61.60 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 -1.41 2.52 -0.37 1.43 2.46 -1.04 -4.88 115.29 114.00 2k46 s HIS 21 Ca 0.25 -0.29 -0.04 0.00 0.47 0.00 0.00 55.06 55.46 2k46 s HIS 21 Cb -0.03 -1.48 0.08 0.00 -0.13 0.00 0.00 32.58 31.03 2k46 s HIS 21 CO 0.62 0.19 0.14 0.08 -2.47 0.00 0.00 174.74 173.30 2k46 s VAL 22 N -0.85 3.34 0.68 0.89 1.01 -1.26 0.05 120.40 124.27 2k46 s VAL 22 Ca 0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 2k46 s VAL 22 Cb -0.10 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2k46 s VAL 22 CO 0.03 -0.46 1.08 1.51 0.00 0.00 0.00 175.10 177.27 2k46 s ASP 23 N 1.65 5.18 0.23 3.32 -4.77 0.60 -4.82 116.67 118.06 2k46 s ASP 23 Ca 0.03 1.84 -0.13 0.00 -3.30 0.00 0.00 52.55 50.99 2k46 s ASP 23 Cb -0.22 -2.53 0.29 0.00 -1.09 0.00 0.00 42.92 39.38 2k46 s ASP 23 CO -0.02 -1.58 1.59 -0.37 0.70 0.00 0.00 175.17 175.49 2k46 h VAL 24 N -0.29 0.18 -0.00 2.11 -1.51 -1.95 1.13 116.25 115.91 2k46 h VAL 24 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2k46 h VAL 24 Cb 1.23 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2k46 h VAL 24 CO 0.55 0.00 0.10 0.45 -1.23 0.00 0.00 177.57 177.43 2k46 h HIS 25 N -0.03 0.00 0.00 5.19 3.86 -1.92 -3.45 115.15 118.81 2k46 h HIS 25 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 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 -0.65 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.55 2k46 n GLY 26 N -1.12 1.49 3.55 2.45 0.00 0.39 -4.01 105.19 107.93 2k46 n GLY 26 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.79 -0.18 -0.61 -1.09 -1.11 -4.42 121.20 116.59 2k46 s ILE 27 Ca 0.00 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.32 2k46 s ILE 27 Cb 0.00 -3.23 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 2k46 s ILE 27 CO 0.00 0.35 0.11 -2.28 -1.23 0.00 0.00 174.94 171.89 2k46 s HIS 28 N 1.26 3.41 -0.17 3.97 5.65 -1.25 -0.29 115.29 127.87 2k46 s HIS 28 Ca 0.06 0.31 -0.15 0.00 0.25 0.00 0.00 55.06 55.53 2k46 s HIS 28 Cb -0.14 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.12 2k46 s HIS 28 CO 0.05 0.35 0.33 -0.47 -0.65 0.00 0.00 174.74 174.35 2k46 s TYR 29 N 0.05 3.44 -0.46 3.88 5.04 0.11 -4.13 117.35 125.28 2k46 s TYR 29 Ca 0.08 0.62 -0.27 0.00 -2.44 0.00 0.00 57.07 55.06 2k46 s TYR 29 Cb -0.11 -2.40 0.03 0.00 0.35 0.00 0.00 41.96 39.82 2k46 s TYR 29 CO -0.00 0.17 1.02 0.50 -1.34 0.00 0.00 175.55 175.90 2k46 s ARG 30 N 0.68 3.64 0.02 4.97 3.52 0.51 -2.48 118.95 129.80 2k46 s ARG 30 Ca 0.18 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 56.10 2k46 s ARG 30 Cb -0.14 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 2k46 s ARG 30 CO 0.05 -1.28 0.10 1.17 -0.81 0.00 0.00 175.30 174.54 2k46 n LYS 31 N 7.45 0.00 -0.00 5.12 0.00 -1.26 -4.10 118.16 125.36 2k46 n LYS 31 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.40 2k46 n LYS 31 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 35.03 35.34 2k46 n LYS 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k46 n ASP 32 N 0.27 -0.00 -0.63 3.14 2.03 -1.26 -4.76 116.55 115.34 2k46 n ASP 32 Ca 0.03 -0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.44 2k46 n ASP 32 Cb 0.03 -0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.46 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k46 n PRO 33 N 0.01 1.64 -0.04 -0.67 -0.04 -1.26 -4.11 135.00 130.54 2k46 n PRO 33 Ca 0.00 -1.30 -0.05 0.00 -0.04 0.00 0.00 63.50 62.11 2k46 n PRO 33 Cb 0.00 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.49 2.99 -3.78 1.53 0.00 -1.26 -4.26 117.00 112.71 2k46 n LEU 34 Ca 0.10 -0.04 -0.42 0.00 0.00 0.00 0.00 56.01 55.65 2k46 n LEU 34 Cb 0.48 -0.27 -0.04 0.00 0.00 0.00 0.00 43.42 43.59 2k46 n LEU 34 CO 0.21 0.63 2.21 -0.62 0.00 0.00 0.00 177.39 179.81 2k46 n GLU 35 N -2.73 1.94 -0.86 1.96 -0.58 -1.26 -3.92 120.64 115.20 2k46 n GLU 35 Ca -0.14 -2.16 0.00 0.00 -0.42 0.00 0.00 57.16 54.44 2k46 n GLU 35 Cb 0.65 -3.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.40 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k46 n GLY 36 N 4.57 0.92 3.33 0.62 0.00 -1.26 -3.84 105.19 109.52 2k46 n GLY 36 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 -2.20 -3.76 1.61 0.00 -1.25 -4.88 116.66 104.18 2k46 n ARG 37 Ca 0.00 0.12 -0.13 0.00 -0.00 0.00 0.00 57.85 57.84 2k46 n ARG 37 Cb 0.00 -4.67 -0.10 0.00 -0.00 0.00 0.00 32.46 27.69 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 -2.57 0.03 0.00 8.89 0.11 -1.25 -4.92 120.40 120.69 2k46 s VAL 38 Ca 0.35 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2k46 s VAL 38 Cb -0.20 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2k46 s VAL 38 CO 0.42 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 2k46 n GLY 39 N 2.19 -1.14 3.26 6.54 0.00 -1.26 -5.00 105.19 109.78 2k46 n GLY 39 Ca -0.17 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 2k46 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k46 s ARG 40 N 0.00 1.51 -0.24 1.61 0.52 -1.26 -4.92 118.95 116.17 2k46 s ARG 40 Ca 0.00 -1.85 -0.35 0.00 -0.52 0.00 0.00 55.73 53.01 2k46 s ARG 40 Cb 0.00 0.21 -0.12 0.00 0.52 0.00 0.00 34.95 35.57 2k46 s ARG 40 CO 0.00 -0.51 2.02 0.00 0.02 0.00 0.00 175.30 176.83 2k46 n ALA 41 N -0.48 0.88 0.08 2.13 0.00 -1.25 -4.84 120.51 117.03 2k46 n ALA 41 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 2k46 n ALA 41 Cb 0.64 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 2k46 n ALA 41 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k46 h SER 42 N 10.74 0.32 -6.88 0.00 0.87 -1.85 -3.48 113.55 113.27 2k46 h SER 42 Ca -0.39 -0.28 -0.52 0.00 -1.23 0.00 0.00 61.79 59.37 2k46 h SER 42 Cb 1.30 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 63.05 2k46 h SER 42 CO 0.98 1.12 -0.83 -0.90 -0.53 0.00 0.00 176.83 176.67 2k46 n ASP 43 N -3.62 -1.01 -4.53 6.23 5.75 -1.26 -4.82 116.55 113.29 2k46 n ASP 43 Ca -0.05 -1.09 -0.41 0.00 -0.01 0.00 0.00 54.79 53.23 2k46 n ASP 43 Cb 0.87 -1.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 2k46 n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2k46 s TYR 44 N -3.99 2.39 -0.73 2.11 5.04 -1.26 -3.93 117.35 116.97 2k46 s TYR 44 Ca 0.18 -0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.53 2k46 s TYR 44 Cb -0.10 -4.58 -0.02 0.00 0.35 0.00 0.00 41.96 37.61 2k46 s TYR 44 CO 0.83 -1.98 0.62 0.41 -1.34 0.00 0.00 175.55 174.09 2k46 n GLY 45 N 5.57 -0.20 0.00 8.97 0.00 -1.26 -4.87 105.19 113.40 2k46 n GLY 45 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2k46 n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k46 n MET 46 N -2.84 0.45 -0.67 1.61 0.00 -1.25 -4.83 117.12 109.59 2k46 n MET 46 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.42 2k46 n MET 46 Cb 0.60 -1.38 0.08 0.00 0.00 0.00 0.00 33.22 32.52 2k46 n MET 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2k46 n LYS 47 N -0.88 -1.15 -2.47 3.17 4.81 -1.26 -4.50 118.16 115.88 2k46 n LYS 47 Ca 0.08 -0.34 -0.06 0.00 -0.87 0.00 0.00 58.31 57.13 2k46 n LYS 47 Cb 0.04 -1.25 0.03 0.00 0.02 0.00 0.00 35.03 33.86 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k46 n LEU 48 N 0.84 -4.33 -4.73 3.14 7.99 -1.26 -4.96 117.00 113.69 2k46 n LEU 48 Ca 0.03 -0.29 -0.42 0.00 -0.01 0.00 0.00 56.01 55.31 2k46 n LEU 48 Cb 0.29 -2.16 -0.02 0.00 -0.11 0.00 0.00 43.42 41.42 2k46 n LEU 48 CO 0.19 -0.18 1.17 -2.65 -1.51 0.00 0.00 177.39 174.41 2k46 n PRO 49 N -2.15 2.51 -1.81 3.23 -0.02 -1.26 -4.90 135.00 130.60 2k46 n PRO 49 Ca -0.03 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2k46 n PRO 49 Cb 0.55 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 2k46 n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 50 N -0.09 3.24 0.11 4.25 1.09 -1.26 -4.83 121.20 123.71 2k46 s ILE 50 Ca 0.64 0.31 -0.28 0.00 -1.10 0.00 0.00 60.65 60.23 2k46 s ILE 50 Cb -0.54 -3.20 -0.08 0.00 -1.06 0.00 0.00 42.46 37.59 2k46 s ILE 50 CO 0.50 -0.03 1.62 0.25 -0.10 0.00 0.00 174.94 177.18 2k46 h LEU 51 N 10.37 -0.89 -2.17 2.97 7.12 -1.90 -2.45 115.31 128.36 2k46 h LEU 51 Ca -0.45 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.66 2k46 h LEU 51 Cb 1.21 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.68 2k46 h LEU 51 CO 0.95 -0.39 0.00 0.54 -0.13 0.00 0.00 178.44 179.41 2k46 n ARG 52 N -5.41 0.72 -3.75 1.25 3.00 -1.26 -4.69 116.66 106.52 2k46 n ARG 52 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.65 2k46 n ARG 52 Cb 0.32 -1.14 -0.12 0.00 0.00 0.00 0.00 32.46 31.52 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 1.13 -0.28 0.77 0.55 0.15 -0.93 -4.92 113.70 110.18 2k46 s SER 53 Ca 0.00 0.54 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 2k46 s SER 53 Cb 0.00 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.85 2k46 s SER 53 CO 0.00 -0.13 1.09 0.54 1.20 0.00 0.00 173.24 175.94 2k46 s ASN 54 N 0.71 4.48 0.37 5.45 2.20 -1.26 -4.58 114.94 122.32 2k46 s ASN 54 Ca -0.05 1.84 0.21 0.00 -0.94 0.00 0.00 52.86 53.93 2k46 s ASN 54 Cb -0.06 -2.52 1.32 0.00 -2.00 0.00 0.00 41.25 37.99 2k46 s ASN 54 CO -0.04 -2.05 1.60 -0.65 -2.94 0.00 0.00 177.10 173.01 2k46 h PRO 55 N -1.10 0.05 0.05 3.55 0.11 -1.98 0.64 132.00 133.33 2k46 h PRO 55 Ca -0.44 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k46 h PRO 55 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k46 h PRO 55 CO 0.51 0.04 -0.03 0.93 -0.21 0.00 0.00 178.00 179.24 2k46 h GLU 56 N 0.06 -0.07 0.00 1.05 4.39 -1.99 -2.96 114.58 115.06 2k46 h GLU 56 Ca 0.83 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.54 2k46 h GLU 56 Cb 2.22 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 2k46 h GLU 56 CO -0.70 0.24 0.00 -0.40 -1.16 0.00 0.00 179.01 176.99 2k46 n ASP 57 N -4.78 0.00 0.08 1.42 5.75 -0.95 -2.57 116.55 115.50 2k46 n ASP 57 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.71 2k46 n ASP 57 Cb 0.17 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 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 -0.24 -1.13 0.11 4.15 0.31 0.86 115.11 119.17 2k46 h GLN 58 Ca 0.00 0.02 0.32 0.00 0.77 0.00 0.00 58.65 59.75 2k46 h GLN 58 Cb 0.12 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.76 2k46 h GLN 58 CO 0.00 -0.16 0.74 -0.24 -1.93 0.00 0.00 178.83 177.24 2k46 h VAL 59 N -0.66 0.41 0.28 2.39 3.04 -1.33 0.67 116.25 121.05 2k46 h VAL 59 Ca -0.03 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 2k46 h VAL 59 Cb 0.19 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 2k46 h VAL 59 CO 0.04 0.05 -0.13 0.25 -1.01 0.00 0.00 177.57 176.77 2k46 h LEU 60 N 0.27 -0.32 -1.21 3.16 5.85 -1.58 -1.86 115.31 119.63 2k46 h LEU 60 Ca 0.65 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.38 2k46 h LEU 60 Cb 1.87 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2k46 h LEU 60 CO -0.30 -0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 176.47 2k46 n TYR 61 N -3.64 0.00 0.08 1.25 4.01 0.29 -4.06 117.16 115.09 2k46 n TYR 61 Ca -0.05 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2k46 n TYR 61 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2k46 n GLN 62 N 0.36 0.00 -1.28 -0.72 0.00 0.21 -4.80 117.38 111.16 2k46 n GLN 62 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.59 2k46 n GLN 62 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.39 2k46 n GLN 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2k46 n THR 63 N -2.97 0.39 -4.11 1.69 -1.04 -0.70 -4.80 114.28 102.74 2k46 n THR 63 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 2k46 n THR 63 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2k46 s GLU 64 N -1.00 0.67 0.00 -2.82 1.03 -1.26 -3.84 118.70 111.48 2k46 s GLU 64 Ca 0.58 -0.93 0.00 0.00 0.03 0.00 0.00 54.97 54.65 2k46 s GLU 64 Cb -0.58 -0.42 0.00 0.00 -0.80 0.00 0.00 34.13 32.32 2k46 s GLU 64 CO 0.64 0.07 0.00 0.54 -1.33 0.00 0.00 175.26 175.18 2k46 n ARG 65 N 1.09 1.36 -0.62 -4.83 1.74 -1.25 -4.25 116.66 109.90 2k46 n ARG 65 Ca -0.20 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.84 2k46 n ARG 65 Cb 0.56 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.02 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 -0.71 -3.63 -1.19 -1.55 4.02 -1.26 -4.97 117.16 107.87 2k46 n TYR 66 Ca 0.00 -0.22 0.09 0.00 -0.01 0.00 0.00 57.90 57.76 2k46 n TYR 66 Cb 0.00 -0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.14 2k46 n TYR 66 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2k46 n ASN 67 N -3.05 -6.42 -2.82 7.72 4.13 -1.26 -5.02 115.26 108.53 2k46 n ASN 67 Ca 0.03 1.29 -0.01 0.00 1.68 0.00 0.00 54.58 57.56 2k46 n ASN 67 Cb 0.09 -3.93 0.01 0.00 -1.54 0.00 0.00 39.78 34.41 2k46 n ASN 67 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2k46 s GLU 68 N -4.44 0.50 -0.30 3.52 -1.05 -1.26 -5.02 118.70 110.66 2k46 s GLU 68 Ca 0.00 -0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 54.30 2k46 s GLU 68 Cb 0.00 0.01 0.18 0.00 -0.44 0.00 0.00 34.13 33.89 2k46 s GLU 68 CO 0.00 -0.66 1.16 0.34 0.95 0.00 0.00 175.26 177.05 2k46 s ASP 69 N 1.41 -0.25 0.00 0.83 2.15 -1.26 -4.57 116.67 114.98 2k46 s ASP 69 Ca 0.21 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.56 2k46 s ASP 69 Cb 0.04 1.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.85 2k46 s ASP 69 CO -0.10 -0.06 0.00 -0.24 -0.17 0.00 0.00 175.17 174.60 2k46 n SER 70 N 3.96 -6.09 -4.47 -0.34 2.88 -1.24 -4.83 113.62 103.48 2k46 n SER 70 Ca -0.13 0.48 -0.43 0.00 -1.33 0.00 0.00 58.87 57.45 2k46 n SER 70 Cb 0.56 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.57 2k46 n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k46 s PHE 71 N -0.68 2.90 -0.27 0.66 0.40 -1.02 -4.88 117.98 115.09 2k46 s PHE 71 Ca 0.00 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2k46 s PHE 71 Cb 0.00 -3.86 0.07 0.00 0.51 0.00 0.00 43.02 39.74 2k46 s PHE 71 CO 0.00 -1.24 -0.09 0.20 0.70 0.00 0.00 175.22 174.79 2k46 s GLY 72 N 2.90 1.70 0.15 4.36 0.00 -1.26 -2.22 107.32 112.95 2k46 s GLY 72 Ca 0.22 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 43.10 2k46 s GLY 72 CO 0.14 0.66 0.23 -0.19 0.00 0.00 0.00 173.10 173.94 2k46 s TYR 73 N 1.07 3.37 -0.10 1.90 1.51 -0.65 -4.97 117.35 119.48 2k46 s TYR 73 Ca -0.06 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2k46 s TYR 73 Cb -0.20 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 2k46 s TYR 73 CO -0.05 0.52 -0.12 0.16 -1.11 0.00 0.00 175.55 174.95 2k46 s ASP 74 N -3.15 4.15 -0.49 2.29 -4.77 -1.26 -2.56 116.67 110.87 2k46 s ASP 74 Ca 0.33 -0.23 0.03 0.00 -3.30 0.00 0.00 52.55 49.38 2k46 s ASP 74 Cb -0.11 -1.33 0.14 0.00 -1.09 0.00 0.00 42.92 40.54 2k46 s ASP 74 CO 0.27 0.25 0.30 -0.63 0.70 0.00 0.00 175.17 176.05 2k46 s ILE 75 N -0.13 1.70 0.12 2.11 1.09 0.17 -4.94 121.20 121.31 2k46 s ILE 75 Ca -0.01 -2.98 -0.34 0.00 -1.10 0.00 0.00 60.65 56.23 2k46 s ILE 75 Cb -0.13 -2.17 -0.13 0.00 -1.06 0.00 0.00 42.46 38.97 2k46 s ILE 75 CO 0.03 -0.94 1.64 -2.65 -0.10 0.00 0.00 174.94 172.91 2k46 n PRO 76 N 3.12 2.19 -4.36 2.79 -0.02 -1.26 -0.21 135.00 137.25 2k46 n PRO 76 Ca 0.13 0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 62.13 2k46 n PRO 76 Cb 0.36 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.13 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 1.45 2.07 0.00 4.25 1.01 -1.16 -4.89 121.20 123.93 2k46 s ILE 77 Ca 0.81 -1.74 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2k46 s ILE 77 Cb -0.67 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2k46 s ILE 77 CO 0.40 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.61 2k46 n LYS 78 N 0.84 0.00 -4.49 2.79 4.76 -1.26 -4.84 118.16 115.95 2k46 n LYS 78 Ca -0.17 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.04 2k46 n LYS 78 Cb 0.54 -0.41 -0.11 0.00 -1.84 0.00 0.00 35.03 33.22 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k46 s GLU 79 N 0.00 1.71 0.52 1.97 2.02 -1.26 -5.16 118.70 118.50 2k46 s GLU 79 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.05 2k46 s GLU 79 Cb 0.00 -1.09 -0.00 0.00 0.10 0.00 0.00 34.13 33.14 2k46 s GLU 79 CO 0.00 -0.13 0.01 0.39 0.02 0.00 0.00 175.26 175.56 2k46 n GLU 80 N -0.74 0.71 0.00 1.61 4.71 -1.26 -5.02 120.64 120.65 2k46 n GLU 80 Ca -0.03 -3.84 0.00 0.00 -0.01 0.00 0.00 57.16 53.28 2k46 n GLU 80 Cb 0.66 1.11 0.00 0.00 -1.01 0.00 0.00 31.44 32.21 2k46 n GLU 80 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k46 n GLY 81 N -1.29 0.38 3.39 0.62 0.00 -0.66 -4.81 105.19 102.82 2k46 n GLY 81 Ca -0.21 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.67 2.91 -0.20 1.61 0.41 -1.12 -1.63 118.70 120.03 2k46 s GLU 82 Ca 0.00 -1.02 -0.14 0.00 -0.41 0.00 0.00 54.97 53.39 2k46 s GLU 82 Cb 0.00 -3.73 -0.04 0.00 -1.78 0.00 0.00 34.13 28.58 2k46 s GLU 82 CO 0.00 -0.66 0.32 0.71 -0.49 0.00 0.00 175.26 175.14 2k46 s TYR 83 N 1.57 3.39 -0.28 1.61 1.51 -0.57 -0.06 117.35 124.52 2k46 s TYR 83 Ca 0.03 0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 56.58 2k46 s TYR 83 Cb -0.19 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2k46 s TYR 83 CO 0.07 0.08 0.01 0.08 -1.11 0.00 0.00 175.55 174.69 2k46 s VAL 84 N 0.99 3.35 -0.50 0.71 1.01 -1.05 -0.20 120.40 124.72 2k46 s VAL 84 Ca 0.16 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2k46 s VAL 84 Cb -0.14 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.54 2k46 s VAL 84 CO 0.06 0.06 0.50 -0.22 0.00 0.00 0.00 175.10 175.50 2k46 s LEU 85 N 1.38 5.45 -0.03 3.92 0.20 -1.07 -2.63 118.68 125.89 2k46 s LEU 85 Ca -0.00 -1.24 0.03 0.00 0.69 0.00 0.00 54.13 53.60 2k46 s LEU 85 Cb -0.18 -2.28 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 2k46 s LEU 85 CO -0.01 -0.78 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.50 2k46 s VAL 86 N 2.03 3.52 -0.08 1.68 1.01 -0.53 -2.17 120.40 125.86 2k46 s VAL 86 Ca 0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2k46 s VAL 86 Cb -0.23 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2k46 s VAL 86 CO 0.08 0.50 0.33 -1.48 0.00 0.00 0.00 175.10 174.53 2k46 s LEU 87 N -1.08 0.74 -0.26 3.92 0.05 -1.10 -1.22 118.68 119.73 2k46 s LEU 87 Ca 0.14 0.45 -0.10 0.00 0.05 0.00 0.00 54.13 54.67 2k46 s LEU 87 Cb -0.11 1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 45.22 2k46 s LEU 87 CO 0.04 -0.26 0.15 -0.75 -0.55 0.00 0.00 176.35 174.98 2k46 s LYS 88 N -0.44 3.91 -0.05 1.48 2.47 -1.18 -2.50 119.74 123.43 2k46 s LYS 88 Ca -0.06 -0.35 -0.00 0.00 -1.56 0.00 0.00 55.97 54.00 2k46 s LYS 88 Cb -0.04 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.78 2k46 s LYS 88 CO 0.02 -0.09 0.00 -0.06 0.16 0.00 0.00 175.35 175.38 2k46 s PHE 89 N 1.45 3.12 0.16 4.03 0.08 -0.56 -0.92 117.98 125.35 2k46 s PHE 89 Ca 0.07 0.14 -0.13 0.00 0.12 0.00 0.00 56.93 57.12 2k46 s PHE 89 Cb -0.15 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2k46 s PHE 89 CO 0.07 0.46 0.38 0.00 -0.10 0.00 0.00 175.22 176.03 2k46 s ALA 90 N -0.98 -0.53 0.30 5.36 0.00 -1.15 -2.13 121.76 122.62 2k46 s ALA 90 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2k46 s ALA 90 Cb -0.11 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2k46 s ALA 90 CO 0.06 -0.68 0.39 -1.83 0.00 0.00 0.00 175.76 173.70 2k46 s GLU 91 N -3.89 1.69 0.00 0.00 -1.05 -1.26 -1.95 118.70 112.24 2k46 s GLU 91 Ca 0.10 -1.66 0.00 0.00 -0.15 0.00 0.00 54.97 53.26 2k46 s GLU 91 Cb 0.02 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2k46 s GLU 91 CO -0.05 -0.67 0.00 1.33 0.95 0.00 0.00 175.26 176.82 2k46 n VAL 92 N -0.48 0.00 -3.97 1.83 0.24 -1.26 -4.75 118.33 109.93 2k46 n VAL 92 Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.01 2k46 n VAL 92 Cb 0.63 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.95 2k46 n VAL 92 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2k46 s TYR 93 N -1.00 3.39 -0.08 6.34 1.51 -1.26 -4.87 117.35 121.37 2k46 s TYR 93 Ca 0.00 0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 2k46 s TYR 93 Cb 0.00 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2k46 s TYR 93 CO 0.00 0.56 0.12 1.19 -1.11 0.00 0.00 175.55 176.31 2k46 n PHE 94 N 0.21 -4.00 -2.99 2.71 3.72 -1.26 -4.91 117.46 110.94 2k46 n PHE 94 Ca -0.07 2.35 -0.39 0.00 -0.05 0.00 0.00 57.45 59.29 2k46 n PHE 94 Cb 0.52 -3.59 -0.00 0.00 -0.94 0.00 0.00 39.48 35.46 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 n ALA 95 N 1.51 5.19 -2.59 4.37 0.00 -1.26 -4.99 120.51 122.74 2k46 n ALA 95 Ca -0.21 -4.76 -0.15 0.00 0.00 0.00 0.00 53.44 48.32 2k46 n ALA 95 Cb 0.32 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 2k46 n ALA 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k46 s GLN 96 N -3.11 0.78 0.32 0.00 2.00 -1.26 -5.14 119.66 113.25 2k46 s GLN 96 Ca 0.35 -1.05 0.08 0.00 -2.00 0.00 0.00 55.36 52.74 2k46 s GLN 96 Cb 0.10 -0.54 -0.03 0.00 0.80 0.00 0.00 33.01 33.35 2k46 s GLN 96 CO 0.03 0.09 0.25 -1.12 -0.50 0.00 0.00 175.29 174.05 2k46 s SER 97 N -2.16 5.22 0.00 6.67 0.01 -1.26 -4.48 113.70 117.70 2k46 s SER 97 Ca 0.01 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2k46 s SER 97 Cb -0.05 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.18 2k46 s SER 97 CO 0.00 -0.30 0.00 1.67 0.41 0.00 0.00 173.24 175.03 2k46 n GLN 98 N -1.31 0.00 -0.38 12.44 -0.06 -1.26 -4.21 117.38 122.60 2k46 n GLN 98 Ca -0.03 0.00 0.35 0.00 -2.00 0.00 0.00 57.00 55.32 2k46 n GLN 98 Cb 0.60 0.00 0.70 0.00 -4.06 0.00 0.00 30.24 27.47 2k46 n GLN 98 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2k46 h GLN 99 N 0.00 0.09 -2.81 3.69 7.50 -2.00 -2.24 115.11 119.34 2k46 h GLN 99 Ca 0.00 -0.01 -0.75 0.00 0.50 0.00 0.00 58.65 58.39 2k46 h GLN 99 Cb 0.00 -0.02 -0.15 0.00 0.05 0.00 0.00 27.48 27.36 2k46 h GLN 99 CO 0.00 0.06 2.12 1.63 -1.50 0.00 0.00 178.83 181.15 2k46 n LYS 100 N -4.31 4.44 -4.48 1.46 5.02 -1.26 -4.77 118.16 114.26 2k46 n LYS 100 Ca 0.29 -3.64 -0.34 0.00 -2.02 0.00 0.00 58.31 52.60 2k46 n LYS 100 Cb 1.28 -2.68 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 2k46 n LYS 100 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k46 s VAL 101 N -1.16 3.87 0.39 -0.18 1.01 -0.85 -3.34 120.40 120.14 2k46 s VAL 101 Ca 0.48 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2k46 s VAL 101 Cb 0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2k46 s VAL 101 CO -0.06 0.54 0.16 0.49 0.00 0.00 0.00 175.10 176.23 2k46 n PHE 102 N 2.94 0.02 -4.63 5.22 3.72 -0.87 -4.13 117.46 119.72 2k46 n PHE 102 Ca -0.18 -2.57 -0.24 0.00 -0.05 0.00 0.00 57.45 54.41 2k46 n PHE 102 Cb 0.53 0.03 -0.14 0.00 -0.94 0.00 0.00 39.48 38.96 2k46 n PHE 102 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k46 s ASP 103 N -3.42 2.23 -0.01 4.37 -1.08 -1.10 0.32 116.67 117.98 2k46 s ASP 103 Ca 0.22 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.81 2k46 s ASP 103 Cb 0.01 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.28 2k46 s ASP 103 CO 0.16 0.15 -0.07 -0.69 0.52 0.00 0.00 175.17 175.24 2k46 s VAL 104 N -0.72 0.59 0.05 1.11 1.01 -0.61 -1.68 120.40 120.15 2k46 s VAL 104 Ca 0.06 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2k46 s VAL 104 Cb -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2k46 s VAL 104 CO 0.01 0.18 -0.07 -0.13 0.00 0.00 0.00 175.10 175.10 2k46 s ARG 105 N 0.05 0.54 -0.26 2.72 0.52 -0.65 -1.01 118.95 120.87 2k46 s ARG 105 Ca -0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.35 2k46 s ARG 105 Cb -0.05 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.25 2k46 s ARG 105 CO -0.00 0.02 -0.04 0.14 0.02 0.00 0.00 175.30 175.44 2k46 s VAL 106 N -1.83 3.03 -1.91 3.52 -7.23 0.65 -2.30 120.40 114.33 2k46 s VAL 106 Ca -0.07 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2k46 s VAL 106 Cb -0.07 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2k46 s VAL 106 CO -0.01 0.15 0.00 -3.20 -0.31 0.00 0.00 175.10 171.73 2k46 n ASN 107 N 4.69 -5.82 0.00 4.85 4.05 0.31 -1.30 115.26 122.04 2k46 n ASN 107 Ca -0.16 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.00 2k46 n ASN 107 Cb 0.47 -4.92 0.00 0.00 1.23 0.00 0.00 39.78 36.56 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k46 n GLY 108 N -0.85 0.74 3.08 8.20 0.00 -0.64 -4.72 105.19 111.01 2k46 n GLY 108 Ca -0.24 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 0.27 1.61 3.76 -0.42 -5.01 115.29 116.79 2k46 s HIS 109 Ca 0.00 -2.31 -0.30 0.00 -0.15 0.00 0.00 55.06 52.30 2k46 s HIS 109 Cb 0.00 -1.99 -0.13 0.00 1.11 0.00 0.00 32.58 31.57 2k46 s HIS 109 CO 0.00 -0.88 1.44 0.25 -0.85 0.00 0.00 174.74 174.70 2k46 n THR 110 N 4.44 1.16 0.00 1.30 -2.24 -1.26 -0.25 114.28 117.44 2k46 n THR 110 Ca -0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2k46 n THR 110 Cb 0.42 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2k46 n THR 110 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k46 n VAL 111 N 1.67 0.00 -3.60 2.28 0.31 -0.18 -4.88 118.33 113.93 2k46 n VAL 111 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.13 2k46 n VAL 111 Cb 0.34 -0.34 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -1.34 0.85 -0.50 2.52 1.01 -1.16 -5.04 120.40 116.74 2k46 s VAL 112 Ca 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 61.98 59.73 2k46 s VAL 112 Cb 0.00 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.91 2k46 s VAL 112 CO 0.00 -0.93 0.36 -1.59 0.00 0.00 0.00 175.10 172.94 2k46 s LYS 113 N 0.68 2.48 0.00 2.72 -2.85 -1.26 -1.57 119.74 119.94 2k46 s LYS 113 Ca 0.18 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 2k46 s LYS 113 Cb -0.24 -3.88 0.00 0.00 -2.06 0.00 0.00 37.83 31.65 2k46 s LYS 113 CO 0.01 -1.18 0.00 -0.25 0.10 0.00 0.00 175.35 174.02 2k46 n ASP 114 N 4.65 0.00 -4.56 0.03 8.00 0.15 -4.98 116.55 119.83 2k46 n ASP 114 Ca -0.04 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 2k46 n ASP 114 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2k46 s LEU 115 N 0.00 2.96 -0.82 0.64 0.20 0.50 -4.46 118.68 117.71 2k46 s LEU 115 Ca 0.00 -0.30 -0.07 0.00 0.69 0.00 0.00 54.13 54.45 2k46 s LEU 115 Cb 0.00 -2.56 0.21 0.00 -0.43 0.00 0.00 46.19 43.41 2k46 s LEU 115 CO 0.00 -3.47 0.72 -0.62 -0.29 0.00 0.00 176.35 172.69 2k46 s ASP 116 N 9.61 6.18 0.28 3.68 -1.08 -1.21 -2.05 116.67 132.08 2k46 s ASP 116 Ca 0.83 -3.11 0.01 0.00 -0.52 0.00 0.00 52.55 49.76 2k46 s ASP 116 Cb -0.10 -2.03 0.61 0.00 -1.46 0.00 0.00 42.92 39.94 2k46 s ASP 116 CO 0.05 -0.38 1.75 0.40 0.52 0.00 0.00 175.17 177.51 2k46 h ILE 117 N 4.62 0.66 -0.07 4.11 2.04 -1.89 -0.78 117.51 126.19 2k46 h ILE 117 Ca 0.09 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2k46 h ILE 117 Cb 0.94 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2k46 h ILE 117 CO 0.80 0.11 0.05 0.15 0.00 0.00 0.00 178.15 179.25 2k46 h PHE 118 N 0.58 0.09 0.00 1.37 3.57 -1.83 -2.61 116.94 118.11 2k46 h PHE 118 Ca 0.50 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.93 2k46 h PHE 118 Cb 0.80 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2k46 h PHE 118 CO -0.09 0.07 -0.36 0.22 -2.23 0.00 0.00 178.31 175.91 2k46 h ASP 119 N 0.09 0.00 0.68 0.41 3.58 -1.61 0.25 116.42 119.81 2k46 h ASP 119 Ca 0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2k46 h ASP 119 Cb -0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k46 h ASP 119 CO -0.01 0.36 -0.32 0.03 -2.88 0.00 0.00 179.24 176.42 2k46 h ARG 120 N 0.00 -0.87 0.04 0.28 2.47 -0.81 -3.38 114.38 112.11 2k46 h ARG 120 Ca -0.00 0.06 -0.38 0.00 -1.26 0.00 0.00 59.98 58.39 2k46 h ARG 120 Cb 0.76 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 29.23 2k46 h ARG 120 CO 0.05 -0.55 -2.31 1.33 0.56 0.00 0.00 179.97 179.04 2k46 n VAL 121 N -5.40 1.58 0.00 2.04 0.24 -1.05 -5.09 118.33 110.65 2k46 n VAL 121 Ca -0.12 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2k46 n VAL 121 Cb 0.38 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.13 1.40 3.18 7.63 0.00 0.88 -4.98 105.19 115.42 2k46 n GLY 122 Ca -0.42 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 3.23 0.00 1.61 2.46 -1.26 -4.63 115.29 116.70 2k46 s HIS 123 Ca 0.00 -1.82 0.00 0.00 0.47 0.00 0.00 55.06 53.71 2k46 s HIS 123 Cb 0.00 -2.10 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 2k46 s HIS 123 CO 0.00 -0.79 0.00 0.45 -2.47 0.00 0.00 174.74 171.93 2k46 n SER 124 N 4.63 0.00 -0.94 9.88 2.88 -1.26 -4.97 113.62 123.85 2k46 n SER 124 Ca -0.14 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.49 2k46 n SER 124 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 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 -4.21 2.46 -2.24 -1.26 -4.80 114.28 104.23 2k46 n THR 125 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2k46 n THR 125 Cb 0.00 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.84 3.43 -0.02 6.98 0.00 -1.26 -4.79 121.76 124.27 2k46 s ALA 126 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2k46 s ALA 126 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2k46 s ALA 126 CO 0.00 0.52 -0.06 -1.58 0.00 0.00 0.00 175.76 174.64 2k46 s HIS 127 N -0.68 2.93 -0.08 0.00 2.46 -0.91 -4.93 115.29 114.08 2k46 s HIS 127 Ca 0.11 -0.00 -0.04 0.00 0.47 0.00 0.00 55.06 55.61 2k46 s HIS 127 Cb -0.12 -1.65 0.04 0.00 -0.13 0.00 0.00 32.58 30.73 2k46 s HIS 127 CO 0.02 0.38 0.18 0.16 -2.47 0.00 0.00 174.74 173.01 2k46 s ASP 128 N -1.28 0.13 -0.17 9.88 -4.77 -1.26 -1.49 116.67 117.72 2k46 s ASP 128 Ca 0.16 0.38 -0.02 0.00 -3.30 0.00 0.00 52.55 49.76 2k46 s ASP 128 Cb -0.11 0.30 -0.02 0.00 -1.09 0.00 0.00 42.92 42.00 2k46 s ASP 128 CO 0.06 -0.19 -0.07 -1.61 0.70 0.00 0.00 175.17 174.06 2k46 s GLU 129 N 1.60 3.47 -0.26 2.11 0.41 -1.04 -4.99 118.70 120.01 2k46 s GLU 129 Ca -0.05 -0.61 -0.06 0.00 -0.41 0.00 0.00 54.97 53.83 2k46 s GLU 129 Cb -0.12 -2.84 -0.01 0.00 -1.78 0.00 0.00 34.13 29.38 2k46 s GLU 129 CO -0.07 0.09 0.05 0.42 -0.49 0.00 0.00 175.26 175.26 2k46 s ILE 130 N 0.72 3.95 -0.49 -1.63 1.01 -1.26 -2.72 121.20 120.78 2k46 s ILE 130 Ca -0.03 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2k46 s ILE 130 Cb -0.15 -2.92 0.14 0.00 0.01 0.00 0.00 42.46 39.55 2k46 s ILE 130 CO 0.02 0.25 0.29 -0.63 0.00 0.00 0.00 174.94 174.87 2k46 s ILE 131 N 1.54 1.77 0.53 2.92 1.01 -0.92 -5.02 121.20 123.02 2k46 s ILE 131 Ca 0.05 -2.96 -0.22 0.00 0.00 0.00 0.00 60.65 57.51 2k46 s ILE 131 Cb -0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2k46 s ILE 131 CO 0.02 -0.92 1.32 -2.84 0.00 0.00 0.00 174.94 172.52 2k46 s PRO 132 N -0.06 3.26 0.07 2.79 0.02 -1.26 -2.61 135.00 137.21 2k46 s PRO 132 Ca 0.20 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.38 2k46 s PRO 132 Cb -0.20 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 2k46 s PRO 132 CO -0.04 -1.07 -0.05 0.42 -0.33 0.00 0.00 177.00 175.93 2k46 s ILE 133 N -1.35 0.49 -0.20 2.83 1.01 0.72 -4.60 121.20 120.10 2k46 s ILE 133 Ca 0.70 -1.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2k46 s ILE 133 Cb -0.38 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 40.77 2k46 s ILE 133 CO 0.45 -0.81 0.04 -0.94 0.00 0.00 0.00 174.94 173.68 2k46 s SER 134 N -2.68 3.02 -0.17 3.58 1.04 -1.07 -1.51 113.70 115.90 2k46 s SER 134 Ca 0.05 -0.89 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 2k46 s SER 134 Cb 0.03 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 2k46 s SER 134 CO -0.05 -0.31 -0.01 -0.63 0.98 0.00 0.00 173.24 173.22 2k46 s ILE 135 N 1.83 4.04 -0.09 -1.02 1.01 -0.64 -1.57 121.20 124.75 2k46 s ILE 135 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2k46 s ILE 135 Cb -0.17 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.53 2k46 s ILE 135 CO -0.09 0.47 0.30 -0.54 0.00 0.00 0.00 174.94 175.08 2k46 s LYS 136 N 0.58 0.44 -1.25 2.79 1.02 -0.65 -1.65 119.74 121.01 2k46 s LYS 136 Ca -0.01 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2k46 s LYS 136 Cb -0.14 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2k46 s LYS 136 CO 0.02 -0.08 0.00 1.63 -0.92 0.00 0.00 175.35 176.00 2k46 n LYS 137 N 2.46 -1.66 -0.46 1.68 5.02 -1.26 -1.14 118.16 122.81 2k46 n LYS 137 Ca -0.15 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2k46 n LYS 137 Cb 0.57 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 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 0.14 0.74 3.45 0.72 0.00 -1.26 -5.08 105.19 103.90 2k46 n GLY 138 Ca -0.12 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.77 1.62 -0.07 1.61 1.02 -0.29 -2.88 119.74 119.99 2k46 s LYS 139 Ca 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 55.97 54.30 2k46 s LYS 139 Cb 0.00 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2k46 s LYS 139 CO 0.00 0.33 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.48 2k46 s LEU 140 N -3.34 2.93 -0.19 3.17 0.20 -0.73 -1.63 118.68 119.09 2k46 s LEU 140 Ca 0.28 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.97 2k46 s LEU 140 Cb -0.05 -1.62 0.04 0.00 -0.43 0.00 0.00 46.19 44.13 2k46 s LEU 140 CO 0.13 0.33 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.89 2k46 s SER 141 N -0.65 3.25 -0.43 3.68 0.15 -0.61 -1.36 113.70 117.73 2k46 s SER 141 Ca 0.10 -0.83 -0.04 0.00 0.70 0.00 0.00 55.95 55.88 2k46 s SER 141 Cb -0.11 -1.16 0.11 0.00 -1.71 0.00 0.00 66.02 63.15 2k46 s SER 141 CO 0.01 -0.15 0.24 0.54 1.20 0.00 0.00 173.24 175.08 2k46 s VAL 142 N 1.45 3.47 0.00 4.45 0.11 -0.23 -2.61 120.40 127.04 2k46 s VAL 142 Ca -0.01 -2.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.02 2k46 s VAL 142 Cb -0.16 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 2k46 s VAL 142 CO -0.08 -0.71 0.00 0.00 -3.33 0.00 0.00 175.10 170.98 2k46 n GLN 143 N 4.63 0.00 -0.15 1.54 1.13 -1.26 -1.25 117.38 122.01 2k46 n GLN 143 Ca -0.03 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.06 2k46 n GLN 143 Cb 0.41 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.81 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 1.97 3.11 1.08 0.00 -1.26 -5.03 105.19 105.05 2k46 n GLY 144 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.21 1.77 -0.11 1.61 -6.30 -0.38 -5.13 118.70 108.95 2k46 s GLU 145 Ca 0.11 -0.57 -0.03 0.00 -2.50 0.00 0.00 54.97 51.98 2k46 s GLU 145 Cb 0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 34.13 32.67 2k46 s GLU 145 CO 0.01 0.20 0.03 0.54 0.02 0.00 0.00 175.26 176.05 2k46 s VAL 146 N 0.16 4.51 -0.30 3.70 0.11 -1.26 -1.06 120.40 126.26 2k46 s VAL 146 Ca -0.06 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 58.73 2k46 s VAL 146 Cb -0.12 -2.93 0.13 0.00 -1.53 0.00 0.00 36.38 31.93 2k46 s VAL 146 CO 0.03 0.58 0.64 -0.44 -3.33 0.00 0.00 175.10 172.58 2k46 s SER 147 N -0.66 -1.12 0.50 3.54 0.01 -0.46 -5.02 113.70 110.49 2k46 s SER 147 Ca 0.11 1.53 -0.22 0.00 1.31 0.00 0.00 55.95 58.69 2k46 s SER 147 Cb -0.12 2.27 -0.08 0.00 0.21 0.00 0.00 66.02 68.30 2k46 s SER 147 CO 0.02 -0.22 0.97 1.07 0.41 0.00 0.00 173.24 175.49 2k46 n THR 148 N 5.45 2.92 -2.75 1.44 5.66 -1.26 -1.78 114.28 123.96 2k46 n THR 148 Ca -0.12 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 60.00 2k46 n THR 148 Cb 0.49 -1.15 -0.06 0.00 -1.55 0.00 0.00 70.33 68.06 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2k46 s PHE 149 N -1.40 3.80 -0.32 1.09 5.36 -1.14 -4.59 117.98 120.77 2k46 s PHE 149 Ca 0.68 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 58.46 2k46 s PHE 149 Cb -0.49 -2.97 0.12 0.00 -0.34 0.00 0.00 43.02 39.34 2k46 s PHE 149 CO 0.53 0.26 0.16 0.95 -1.46 0.00 0.00 175.22 175.66 2k46 s THR 150 N -1.42 0.09 0.00 0.12 -4.23 -1.26 -4.87 115.64 104.06 2k46 s THR 150 Ca 0.46 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2k46 s THR 150 Cb -0.22 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.53 2k46 s THR 150 CO 0.28 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2k46 n GLY 151 N 4.73 1.13 3.43 3.99 0.00 -1.26 -4.81 105.19 112.40 2k46 n GLY 151 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.27 0.09 1.61 0.00 -1.26 -3.00 119.74 118.45 2k46 s LYS 152 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 55.97 54.69 2k46 s LYS 152 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 37.83 38.23 2k46 s LYS 152 CO 0.00 -0.51 0.87 -1.17 0.00 0.00 0.00 175.35 174.54 2k46 s LEU 153 N -2.91 4.48 -0.30 2.77 0.20 0.71 -4.81 118.68 118.82 2k46 s LEU 153 Ca 0.12 1.64 0.03 0.00 0.69 0.00 0.00 54.13 56.62 2k46 s LEU 153 Cb 0.01 -3.43 0.08 0.00 -0.43 0.00 0.00 46.19 42.43 2k46 s LEU 153 CO -0.02 -0.02 -0.00 -0.94 -0.29 0.00 0.00 176.35 175.08 2k46 s SER 154 N -0.08 4.50 -0.18 3.68 1.04 -1.26 -0.66 113.70 120.74 2k46 s SER 154 Ca 0.43 -1.79 -0.17 0.00 0.48 0.00 0.00 55.95 54.91 2k46 s SER 154 Cb -0.22 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 2k46 s SER 154 CO 0.27 -0.31 0.43 -0.69 0.98 0.00 0.00 173.24 173.91 2k46 s VAL 155 N 1.08 5.19 -0.04 5.02 1.01 -1.06 0.11 120.40 131.71 2k46 s VAL 155 Ca 0.03 0.79 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 2k46 s VAL 155 Cb -0.19 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2k46 s VAL 155 CO -0.09 0.26 0.00 -1.61 0.00 0.00 0.00 175.10 173.67 2k46 s GLU 156 N 1.18 0.35 -0.22 2.72 2.02 -0.97 -1.64 118.70 122.13 2k46 s GLU 156 Ca 0.21 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.25 2k46 s GLU 156 Cb -0.15 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.49 2k46 s GLU 156 CO 0.08 -0.17 -0.02 -0.06 0.02 0.00 0.00 175.26 175.11 2k46 s PHE 157 N 1.26 2.98 0.11 1.61 0.08 -0.94 -1.63 117.98 121.44 2k46 s PHE 157 Ca -0.06 -0.84 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 2k46 s PHE 157 Cb -0.13 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.13 2k46 s PHE 157 CO -0.02 -0.51 0.51 0.08 -0.10 0.00 0.00 175.22 175.18 2k46 s VAL 158 N 1.49 4.90 0.57 -0.44 1.01 -0.68 -2.44 120.40 124.82 2k46 s VAL 158 Ca 0.06 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 2k46 s VAL 158 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2k46 s VAL 158 CO -0.02 0.34 1.16 1.17 0.00 0.00 0.00 175.10 177.75 2k46 n LYS 159 N 1.08 1.25 0.00 2.72 4.81 -1.26 -2.73 118.16 124.03 2k46 n LYS 159 Ca -0.08 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2k46 n LYS 159 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.21 2k46 n LYS 159 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 160 N 1.03 0.94 1.94 3.14 0.00 -1.26 -4.79 105.19 106.20 2k46 n GLY 160 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.07 -1.41 0.03 1.61 9.36 -1.26 -4.77 117.16 120.65 2k46 n TYR 161 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k46 n TYR 161 Cb 0.06 0.49 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 2k46 n TYR 161 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2k46 n TYR 162 N -2.46 -1.95 -2.42 2.98 9.36 -1.26 -5.03 117.16 116.38 2k46 n TYR 162 Ca 0.00 0.19 -0.43 0.00 3.32 0.00 0.00 57.90 60.99 2k46 n TYR 162 Cb 0.00 0.76 0.00 0.00 -0.63 0.00 0.00 39.34 39.47 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2k46 n ASP 163 N -2.52 4.75 -4.35 2.98 9.92 -1.26 -4.84 116.55 121.23 2k46 n ASP 163 Ca 0.00 -2.93 -0.36 0.00 -0.53 0.00 0.00 54.79 50.97 2k46 n ASP 163 Cb 0.00 -1.67 0.07 0.00 -0.64 0.00 0.00 41.12 38.88 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 6.87 -2.53 -2.39 -2.24 4.13 -1.26 -4.46 115.26 113.37 2k46 n ASN 164 Ca 0.47 0.46 -0.24 0.00 1.68 0.00 0.00 54.58 56.95 2k46 n ASN 164 Cb 0.43 -1.09 -0.08 0.00 -1.54 0.00 0.00 39.78 37.49 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2k46 n PRO 165 N -0.17 0.00 -0.14 3.52 -0.02 -1.26 -4.78 135.00 132.15 2k46 n PRO 165 Ca 0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 2k46 n PRO 165 Cb 0.52 -0.80 0.01 0.00 -0.02 0.00 0.00 33.50 33.20 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 6.17 0.59 -5.49 -0.52 3.64 -1.78 -3.42 116.57 115.76 2k46 h LYS 166 Ca -0.03 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.67 2k46 h LYS 166 Cb 0.71 -0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 32.25 2k46 h LYS 166 CO 0.72 0.40 -0.57 0.08 -2.27 0.00 0.00 179.45 177.80 2k46 s VAL 167 N -6.13 4.73 -0.02 2.00 1.01 -0.82 -4.38 120.40 116.78 2k46 s VAL 167 Ca -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2k46 s VAL 167 Cb 0.11 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2k46 s VAL 167 CO 0.73 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 176.25 2k46 n ALA 169 N 3.17 3.70 -0.98 0.00 0.00 -0.10 -0.49 120.51 125.82 2k46 n ALA 169 Ca -0.17 -3.20 -0.38 0.00 0.00 0.00 0.00 53.44 49.69 2k46 n ALA 169 Cb 0.55 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.60 -0.08 -3.33 0.00 -0.00 0.18 -3.11 117.00 110.06 2k46 n LEU 170 Ca 0.23 0.76 -0.11 0.00 -0.00 0.00 0.00 56.01 56.89 2k46 n LEU 170 Cb 0.89 -0.61 -0.07 0.00 -0.00 0.00 0.00 43.42 43.63 2k46 n LEU 170 CO 0.14 -1.32 -0.09 0.12 -0.00 0.00 0.00 177.39 176.24 2k46 s PHE 171 N -0.06 -0.85 -0.14 1.96 5.36 -0.36 -0.37 117.98 123.52 2k46 s PHE 171 Ca 0.58 0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 56.84 2k46 s PHE 171 Cb -0.81 -0.19 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 2k46 s PHE 171 CO 0.37 -0.92 -0.08 -1.50 -1.46 0.00 0.00 175.22 171.63 2k46 s ILE 172 N 2.50 3.46 0.35 3.12 2.07 -0.10 -1.45 121.20 131.15 2k46 s ILE 172 Ca 0.10 -0.51 0.06 0.00 -1.41 0.00 0.00 60.65 58.89 2k46 s ILE 172 Cb -0.13 -2.49 -0.07 0.00 0.13 0.00 0.00 42.46 39.90 2k46 s ILE 172 CO -0.28 0.51 -0.01 0.00 -1.91 0.00 0.00 174.94 173.25 2k46 s MET 173 N 0.38 1.78 0.16 3.50 0.23 -1.08 -2.79 119.30 121.48 2k46 s MET 173 Ca -0.07 -1.97 0.11 0.00 -1.03 0.00 0.00 55.69 52.73 2k46 s MET 173 Cb -0.15 -1.35 -0.04 0.00 -1.53 0.00 0.00 34.83 31.76 2k46 s MET 173 CO 0.04 -0.04 -0.23 -1.59 -2.03 0.00 0.00 175.02 171.17 2k46 s LYS 174 N -3.75 1.57 0.00 3.16 -2.85 -1.13 -2.52 119.74 114.22 2k46 s LYS 174 Ca 0.34 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 2k46 s LYS 174 Cb 0.07 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 2k46 s LYS 174 CO 0.16 0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.45 2k46 n GLY 175 N 0.51 2.31 0.00 0.59 0.00 0.92 -4.83 105.19 104.68 2k46 n GLY 175 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.97 2.61 -2.24 -0.05 -2.78 114.28 112.79 2k46 n THR 176 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2k46 n THR 176 Cb 0.00 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 68.63 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 n ALA 177 N -0.12 3.01 -0.25 6.98 0.00 -1.26 -4.08 120.51 124.79 2k46 n ALA 177 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 2k46 n ALA 177 Cb 0.00 -1.27 0.10 0.00 0.00 0.00 0.00 19.45 18.28 2k46 n ALA 177 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k46 h ASP 178 N 0.00 0.67 -0.54 0.00 1.82 -1.99 -2.23 116.42 114.15 2k46 h ASP 178 Ca 0.00 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2k46 h ASP 178 Cb 0.52 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2k46 h ASP 178 CO 0.00 0.45 0.19 -0.78 -1.61 0.00 0.00 179.24 177.49 2k46 h ASP 179 N 0.80 0.77 -0.61 2.28 1.82 -1.99 -3.42 116.42 116.08 2k46 h ASP 179 Ca 0.30 -0.19 -0.55 0.00 -0.39 0.00 0.00 57.03 56.20 2k46 h ASP 179 Cb 0.11 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 2k46 h ASP 179 CO -0.15 0.75 1.62 0.52 -1.61 0.00 0.00 179.24 180.37 2k46 n VAL 180 N -4.49 0.01 -1.53 2.25 0.31 -0.84 -4.86 118.33 109.19 2k46 n VAL 180 Ca 0.02 -0.25 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 2k46 n VAL 180 Cb 0.18 -1.30 0.02 0.00 -0.91 0.00 0.00 33.84 31.83 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 8.46 0.86 -3.78 5.55 -0.02 -1.26 -4.99 135.00 139.82 2k46 n PRO 181 Ca 0.53 0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 2k46 n PRO 181 Cb 0.19 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.96 0.88 -0.32 -0.52 1.75 -1.26 -5.10 119.30 112.77 2k46 s MET 182 Ca 0.66 -0.96 -0.05 0.00 -1.25 0.00 0.00 55.69 54.08 2k46 s MET 182 Cb -0.54 -2.18 0.04 0.00 2.84 0.00 0.00 34.83 34.99 2k46 s MET 182 CO 0.56 -0.85 0.07 -0.51 -0.65 0.00 0.00 175.02 173.64 2k46 s LEU 183 N 1.60 4.11 0.50 4.11 1.02 -1.26 -5.09 118.68 123.66 2k46 s LEU 183 Ca 0.05 -1.07 -0.23 0.00 0.02 0.00 0.00 54.13 52.90 2k46 s LEU 183 Cb -0.18 -1.83 -0.06 0.00 0.02 0.00 0.00 46.19 44.14 2k46 s LEU 183 CO -0.18 -0.28 1.35 -1.10 0.02 0.00 0.00 176.35 176.16 2k46 s GLN 184 N 1.39 3.39 -0.01 1.70 -0.21 -1.26 -4.86 119.66 119.80 2k46 s GLN 184 Ca -0.01 2.23 -0.39 0.00 0.02 0.00 0.00 55.36 57.20 2k46 s GLN 184 Cb -0.19 -2.40 -0.18 0.00 1.00 0.00 0.00 33.01 31.23 2k46 s GLN 184 CO 0.02 -0.99 1.26 -2.30 -2.12 0.00 0.00 175.29 171.16 2k46 n PRO 185 N -0.69 0.56 -4.95 2.91 -0.02 -1.26 -4.98 135.00 126.56 2k46 n PRO 185 Ca 0.08 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 2k46 n PRO 185 Cb 0.44 -1.77 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N 0.60 2.39 0.00 6.00 2.46 -1.26 -5.11 115.29 120.37 2k46 s HIS 186 Ca 0.90 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 56.05 2k46 s HIS 186 Cb -1.14 -1.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.87 2k46 s HIS 186 CO 0.55 0.11 0.00 -0.35 -2.47 0.00 0.00 174.74 172.58 2k46 n PRO 187 N 1.92 0.00 -0.79 2.88 -0.04 -1.26 -4.97 135.00 132.74 2k46 n PRO 187 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k46 n PRO 187 Cb 0.52 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 1.53 0.82 3.86 0.55 0.00 -1.26 -5.07 105.19 105.61 2k46 n GLY 188 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 4.29 0.00 0.99 1.02 -1.26 -5.35 118.68 118.37 2k46 s LEU 189 Ca 0.00 0.42 0.25 0.00 0.02 0.00 0.00 54.13 54.82 2k46 s LEU 189 Cb 0.00 -2.07 0.37 0.00 0.02 0.00 0.00 46.19 44.51 2k46 s LEU 189 CO 0.00 0.40 1.36 -0.62 0.02 0.00 0.00 176.35 177.51