#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 3.35 -3.37 4.61 0.00 -1.26 -4.60 120.51 119.25 2k46 n ALA 2 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 2k46 n ALA 2 Cb 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2k46 n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2k46 n MET 3 N -0.38 3.40 -3.75 0.00 0.00 -1.26 -4.99 117.12 110.14 2k46 n MET 3 Ca 0.11 -4.50 -0.09 0.00 -0.00 0.00 0.00 57.70 53.22 2k46 n MET 3 Cb 0.40 -2.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.11 2k46 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k46 s SER 4 N 0.03 -0.28 0.00 6.12 0.01 -1.26 -5.06 113.70 113.26 2k46 s SER 4 Ca 0.31 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2k46 s SER 4 Cb -0.05 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2k46 s SER 4 CO -0.05 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.09 2k46 n GLY 5 N -0.38 0.01 0.11 3.44 0.00 -1.26 -4.99 105.19 102.12 2k46 n GLY 5 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.38 -2.18 0.99 5.85 -1.91 -3.27 115.31 115.17 2k46 h LEU 6 Ca 0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.80 2k46 h LEU 6 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2k46 h LEU 6 CO 0.00 1.38 0.28 0.00 -0.34 0.00 0.00 178.44 179.76 2k46 h ALA 7 N 0.03 1.34 0.00 1.25 0.00 -1.78 -0.06 119.26 120.04 2k46 h ALA 7 Ca -0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k46 h ALA 7 Cb 1.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k46 h ALA 7 CO 0.11 -0.29 -0.02 -0.44 0.00 0.00 0.00 179.25 178.61 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 5.19 -1.91 -3.28 116.42 116.42 2k46 h ASP 8 Ca 0.01 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 2k46 h ASP 8 Cb 0.57 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 2k46 h ASP 8 CO -0.00 0.02 -1.75 0.29 -3.12 0.00 0.00 179.24 174.67 2k46 n LYS 9 N -3.11 0.69 -1.40 3.56 5.02 -0.07 -5.01 118.16 117.84 2k46 n LYS 9 Ca 0.03 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2k46 n LYS 9 Cb 0.46 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2k46 n VAL 10 N -2.12 1.41 0.00 -0.18 3.14 -1.00 -2.66 118.33 116.92 2k46 n VAL 10 Ca -0.07 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2k46 n VAL 10 Cb 0.50 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 -0.88 0.00 -3.64 1.55 -5.35 -1.18 -4.83 119.36 105.03 2k46 n ILE 11 Ca 0.12 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.55 2k46 n ILE 11 Cb 0.39 -0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 -0.64 -0.20 -0.15 4.28 -0.00 -1.12 -5.09 118.94 116.02 2k46 s TRP 12 Ca 0.00 0.47 -0.28 0.00 -0.00 0.00 0.00 56.10 56.29 2k46 s TRP 12 Cb 0.00 0.45 0.07 0.00 -0.00 0.00 0.00 33.47 33.98 2k46 s TRP 12 CO 0.00 -0.11 0.69 0.00 -0.00 0.00 0.00 176.95 177.53 2k46 s ALA 13 N -0.09 -1.74 -0.12 5.86 0.00 -1.26 -1.31 121.76 123.09 2k46 s ALA 13 Ca 0.06 1.62 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 2k46 s ALA 13 Cb -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.58 2k46 s ALA 13 CO -0.11 -0.35 0.28 0.08 0.00 0.00 0.00 175.76 175.66 2k46 s VAL 14 N -0.46 -0.03 -0.50 0.00 1.01 0.74 -1.79 120.40 119.37 2k46 s VAL 14 Ca -0.06 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2k46 s VAL 14 Cb -0.02 -0.43 0.13 0.00 0.00 0.00 0.00 36.38 36.06 2k46 s VAL 14 CO 0.06 0.04 0.27 0.21 0.00 0.00 0.00 175.10 175.69 2k46 s ASN 15 N 1.08 4.97 -0.63 3.32 2.47 -1.26 -0.32 114.94 124.58 2k46 s ASN 15 Ca -0.08 -2.55 -0.26 0.00 0.42 0.00 0.00 52.86 50.40 2k46 s ASN 15 Cb -0.08 -1.77 -0.09 0.00 -1.45 0.00 0.00 41.25 37.86 2k46 s ASN 15 CO -0.08 -0.39 2.35 0.00 -3.72 0.00 0.00 177.10 175.26 2k46 s ALA 16 N 0.38 1.33 0.02 1.71 0.00 0.75 -3.39 121.76 122.56 2k46 s ALA 16 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2k46 s ALA 16 Cb -0.22 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.46 2k46 s ALA 16 CO -0.04 -4.96 0.00 0.41 0.00 0.00 0.00 175.76 171.17 2k46 n GLY 17 N 6.31 -1.73 0.00 0.00 0.00 -1.24 -3.19 105.19 105.35 2k46 n GLY 17 Ca 0.39 0.64 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -1.22 0.76 3.60 -0.02 0.00 -1.22 -3.31 105.19 103.78 2k46 n GLY 18 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 3.00 0.27 -0.34 1.61 -6.30 -1.26 -4.43 118.70 111.25 2k46 s GLU 19 Ca 0.00 0.49 -0.27 0.00 -2.50 0.00 0.00 54.97 52.68 2k46 s GLU 19 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 34.13 34.27 2k46 s GLU 19 CO 0.00 -0.06 0.48 0.43 0.02 0.00 0.00 175.26 176.13 2k46 n SER 20 N 3.71 -6.01 -4.60 -1.70 7.64 0.03 -4.97 113.62 107.72 2k46 n SER 20 Ca -0.17 0.08 -0.28 0.00 1.01 0.00 0.00 58.87 59.50 2k46 n SER 20 Cb 0.57 -2.02 -0.09 0.00 -1.01 0.00 0.00 64.21 61.66 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 -1.44 2.74 -0.29 1.43 2.46 -0.95 -4.89 115.29 114.34 2k46 s HIS 21 Ca 0.27 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.65 2k46 s HIS 21 Cb -0.03 -1.39 0.08 0.00 -0.13 0.00 0.00 32.58 31.12 2k46 s HIS 21 CO 0.66 0.47 0.02 0.08 -2.47 0.00 0.00 174.74 173.49 2k46 s VAL 22 N -1.44 1.68 0.53 0.89 1.01 -1.26 -0.36 120.40 121.45 2k46 s VAL 22 Ca 0.24 -1.71 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 2k46 s VAL 22 Cb -0.10 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 2k46 s VAL 22 CO 0.15 -0.43 1.05 -0.62 0.00 0.00 0.00 175.10 175.25 2k46 s ASP 23 N 1.25 6.10 0.27 3.32 2.15 0.41 -4.82 116.67 125.35 2k46 s ASP 23 Ca 0.04 1.88 -0.06 0.00 0.43 0.00 0.00 52.55 54.85 2k46 s ASP 23 Cb -0.19 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.39 2k46 s ASP 23 CO -0.12 -0.95 1.60 -0.37 -0.17 0.00 0.00 175.17 175.17 2k46 h VAL 24 N 1.08 0.18 0.00 1.11 -1.51 -1.96 1.03 116.25 116.18 2k46 h VAL 24 Ca -0.48 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2k46 h VAL 24 Cb 1.22 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2k46 h VAL 24 CO 0.58 0.01 0.00 0.45 -1.23 0.00 0.00 177.57 177.38 2k46 h HIS 25 N 0.04 0.00 0.00 5.19 3.86 -1.99 -3.44 115.15 118.81 2k46 h HIS 25 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2k46 h HIS 25 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2k46 h HIS 25 CO -0.54 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.66 2k46 n GLY 26 N -1.13 1.54 3.57 2.45 0.00 0.35 -3.75 105.19 108.22 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 4.83 -0.14 -0.61 -1.09 -1.11 -4.46 121.20 116.62 2k46 s ILE 27 Ca 0.00 -0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2k46 s ILE 27 Cb 0.00 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2k46 s ILE 27 CO 0.00 0.36 -0.03 -2.28 -1.23 0.00 0.00 174.94 171.76 2k46 s HIS 28 N 1.19 3.06 -0.15 3.97 5.65 -1.25 -0.45 115.29 127.32 2k46 s HIS 28 Ca 0.06 -0.16 -0.12 0.00 0.25 0.00 0.00 55.06 55.09 2k46 s HIS 28 Cb -0.14 -1.92 -0.05 0.00 -1.18 0.00 0.00 32.58 29.29 2k46 s HIS 28 CO 0.04 0.09 0.25 -0.47 -0.65 0.00 0.00 174.74 174.00 2k46 s TYR 29 N 0.07 3.50 0.00 3.88 5.04 0.51 -4.04 117.35 126.31 2k46 s TYR 29 Ca 0.01 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 2k46 s TYR 29 Cb -0.13 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.94 2k46 s TYR 29 CO 0.02 0.37 0.00 0.54 -1.34 0.00 0.00 175.55 175.14 2k46 n ARG 30 N 3.13 0.00 0.00 4.97 1.74 -0.74 -2.24 116.66 123.52 2k46 n ARG 30 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2k46 n ARG 30 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2k46 n ARG 30 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k46 n LYS 31 N 0.00 0.00 -3.18 5.56 4.81 -1.26 -0.79 118.16 123.30 2k46 n LYS 31 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2k46 n LYS 31 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.00 -3.02 0.00 3.14 8.00 -1.26 -4.77 116.55 118.64 2k46 n ASP 32 Ca 0.00 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2k46 n ASP 32 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2k46 n ASP 32 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k46 n PRO 33 N -1.54 0.00 0.03 -0.24 -0.02 -1.26 -3.38 135.00 128.59 2k46 n PRO 33 Ca -0.18 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2k46 n PRO 33 Cb 0.43 -1.26 0.31 0.00 -0.02 0.00 0.00 33.50 32.96 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2k46 n LEU 34 N -1.83 0.49 -3.83 2.45 -0.00 -1.26 -2.75 117.00 110.26 2k46 n LEU 34 Ca 0.00 0.20 -0.42 0.00 -0.00 0.00 0.00 56.01 55.79 2k46 n LEU 34 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2k46 n LEU 34 CO 0.00 0.03 2.35 -0.62 -0.00 0.00 0.00 177.39 179.15 2k46 n GLU 35 N -1.74 3.17 -0.85 1.47 -0.58 -1.26 -4.25 120.64 116.61 2k46 n GLU 35 Ca 0.05 -3.01 0.00 0.00 -0.42 0.00 0.00 57.16 53.78 2k46 n GLU 35 Cb 0.37 -3.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.09 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 3.66 1.14 4.29 0.62 0.00 -1.26 -4.05 105.19 109.59 2k46 n GLY 36 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 -0.81 -4.09 1.61 0.00 -1.11 -4.88 116.66 105.39 2k46 n ARG 37 Ca 0.00 0.11 -0.14 0.00 -0.00 0.00 0.00 57.85 57.83 2k46 n ARG 37 Cb 0.00 -4.02 -0.05 0.00 -0.00 0.00 0.00 32.46 28.39 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k46 s VAL 38 N -3.53 0.00 0.13 8.89 -7.23 -1.23 -4.99 120.40 112.43 2k46 s VAL 38 Ca 0.50 -1.61 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 2k46 s VAL 38 Cb -0.29 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 2k46 s VAL 38 CO 0.95 0.00 0.85 -0.83 -0.31 0.00 0.00 175.10 175.76 2k46 s GLY 39 N -3.20 2.94 0.10 2.32 0.00 -1.26 -4.69 107.32 103.53 2k46 s GLY 39 Ca 0.30 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2k46 s GLY 39 CO 0.18 1.16 0.00 -2.13 0.00 0.00 0.00 173.10 172.31 2k46 n ARG 40 N 2.28 0.00 -3.14 2.90 0.63 -1.26 -5.10 116.66 112.98 2k46 n ARG 40 Ca -0.02 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.84 2k46 n ARG 40 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 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 -2.60 -2.65 -2.66 5.13 0.00 -1.26 -4.86 120.51 111.61 2k46 n ALA 41 Ca 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2k46 n ALA 41 Cb 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 2k46 n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k46 s SER 42 N -2.84 6.87 -1.60 0.00 0.01 -1.26 -4.87 113.70 110.01 2k46 s SER 42 Ca 0.07 -2.50 -0.10 0.00 1.31 0.00 0.00 55.95 54.73 2k46 s SER 42 Cb -0.02 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 2k46 s SER 42 CO 0.78 -1.10 2.87 0.47 0.41 0.00 0.00 173.24 176.67 2k46 n ASP 43 N 7.84 8.31 -4.84 2.44 8.00 -1.26 -3.83 116.55 133.20 2k46 n ASP 43 Ca 0.45 -2.62 -0.32 0.00 0.71 0.00 0.00 54.79 53.01 2k46 n ASP 43 Cb 0.46 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.95 2k46 n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2k46 s TYR 44 N 2.10 3.40 -1.91 1.24 6.14 -1.26 -3.51 117.35 123.55 2k46 s TYR 44 Ca 0.67 1.38 0.00 0.00 0.64 0.00 0.00 57.07 59.76 2k46 s TYR 44 Cb 0.18 -2.69 0.00 0.00 0.42 0.00 0.00 41.96 39.86 2k46 s TYR 44 CO -0.06 -0.15 0.00 0.41 0.64 0.00 0.00 175.55 176.39 2k46 n GLY 45 N -0.99 0.95 0.00 8.97 0.00 -1.26 -4.79 105.19 108.07 2k46 n GLY 45 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k46 n MET 46 N -2.55 0.23 -1.22 1.61 1.56 -1.23 -3.91 117.12 111.62 2k46 n MET 46 Ca -0.21 0.02 -0.28 0.00 -0.27 0.00 0.00 57.70 56.96 2k46 n MET 46 Cb 0.65 -1.50 -0.08 0.00 2.15 0.00 0.00 33.22 34.44 2k46 n MET 46 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2k46 n LYS 47 N -1.03 3.06 -2.84 2.12 4.81 -1.26 -4.22 118.16 118.80 2k46 n LYS 47 Ca 0.06 -1.79 -0.11 0.00 -0.87 0.00 0.00 58.31 55.60 2k46 n LYS 47 Cb 0.03 -2.48 0.06 0.00 0.02 0.00 0.00 35.03 32.66 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 3.05 -1.69 -4.53 3.14 4.77 -1.25 -5.11 117.00 115.38 2k46 n LEU 48 Ca 0.64 -3.96 -0.43 0.00 -0.03 0.00 0.00 56.01 52.23 2k46 n LEU 48 Cb 0.50 0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 42.41 2k46 n LEU 48 CO 0.56 2.11 1.94 -2.65 -1.33 0.00 0.00 177.39 178.03 2k46 n PRO 49 N 0.51 1.18 -1.64 3.23 -0.02 -1.26 -4.87 135.00 132.13 2k46 n PRO 49 Ca 0.11 0.22 -0.48 0.00 -2.02 0.00 0.00 63.50 61.32 2k46 n PRO 49 Cb 0.68 -2.91 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k46 n ILE 50 N 7.66 0.02 -2.14 4.25 -0.00 -1.26 -4.85 119.36 123.05 2k46 n ILE 50 Ca 0.39 -0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.94 2k46 n ILE 50 Cb 0.38 -1.29 0.13 0.00 -0.00 0.00 0.00 39.64 38.85 2k46 n ILE 50 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2k46 n LEU 51 N 3.22 0.00 0.00 1.39 4.32 -1.26 -4.16 117.00 120.51 2k46 n LEU 51 Ca 0.18 -1.41 0.00 0.00 -0.02 0.00 0.00 56.01 54.76 2k46 n LEU 51 Cb 0.25 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 2k46 n LEU 51 CO 0.63 -1.06 0.00 0.54 -1.22 0.00 0.00 177.39 176.29 2k46 n ARG 52 N -2.82 0.00 -3.46 3.23 1.74 -1.26 -3.90 116.66 110.19 2k46 n ARG 52 Ca 0.13 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.00 2k46 n ARG 52 Cb 0.46 -2.06 -0.01 0.00 -1.02 0.00 0.00 32.46 29.83 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 -0.85 5.07 0.21 0.55 0.15 -1.26 -5.07 113.70 112.51 2k46 s SER 53 Ca 0.00 -0.80 -0.11 0.00 0.70 0.00 0.00 55.95 55.74 2k46 s SER 53 Cb 0.00 -0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 2k46 s SER 53 CO 0.00 -0.85 0.57 0.21 1.20 0.00 0.00 173.24 174.37 2k46 s ASN 54 N -4.27 6.69 0.26 5.45 2.47 -1.26 -4.84 114.94 119.45 2k46 s ASN 54 Ca 0.49 1.00 -0.12 0.00 0.42 0.00 0.00 52.86 54.65 2k46 s ASN 54 Cb -0.04 -2.26 0.37 0.00 -1.45 0.00 0.00 41.25 37.87 2k46 s ASN 54 CO 0.29 -0.03 1.56 -0.65 -3.72 0.00 0.00 177.10 174.55 2k46 h PRO 55 N 2.80 -0.01 0.55 0.43 0.11 -1.97 1.66 132.00 135.57 2k46 h PRO 55 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2k46 h PRO 55 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k46 h PRO 55 CO 0.68 -0.00 -0.26 0.93 -0.21 0.00 0.00 178.00 179.13 2k46 h GLU 56 N -0.01 -0.71 0.00 1.05 4.39 -1.96 -2.41 114.58 114.94 2k46 h GLU 56 Ca 0.42 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2k46 h GLU 56 Cb 0.67 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2k46 h GLU 56 CO -0.98 -0.41 0.00 -3.47 -1.16 0.00 0.00 179.01 172.99 2k46 n ASP 57 N -5.34 0.29 -0.13 1.42 2.03 -0.69 -0.93 116.55 113.20 2k46 n ASP 57 Ca -0.12 0.58 -0.09 0.00 0.52 0.00 0.00 54.79 55.68 2k46 n ASP 57 Cb 0.33 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 0.59 -0.33 -0.67 4.15 0.29 0.23 115.11 119.37 2k46 h GLN 58 Ca 0.00 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.37 2k46 h GLN 58 Cb 0.27 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 2k46 h GLN 58 CO 0.00 0.57 -0.09 0.28 -1.93 0.00 0.00 178.83 177.66 2k46 h VAL 59 N 0.48 0.65 0.00 2.39 2.07 -0.82 0.85 116.25 121.87 2k46 h VAL 59 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2k46 h VAL 59 Cb 0.21 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k46 h VAL 59 CO -0.01 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.47 2k46 n LEU 60 N -5.28 0.19 -0.11 2.57 7.94 -0.89 -1.86 117.00 119.57 2k46 n LEU 60 Ca 0.01 0.55 0.09 0.00 -1.11 0.00 0.00 56.01 55.55 2k46 n LEU 60 Cb 0.19 -0.52 0.13 0.00 0.53 0.00 0.00 43.42 43.75 2k46 n LEU 60 CO 0.18 -0.35 0.54 -1.22 -1.11 0.00 0.00 177.39 175.43 2k46 n TYR 61 N -1.71 0.00 0.14 1.96 4.02 0.75 -4.51 117.16 117.81 2k46 n TYR 61 Ca 0.03 -0.93 0.00 0.00 -0.01 0.00 0.00 57.90 56.99 2k46 n TYR 61 Cb 0.18 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.33 0.00 -1.30 -0.72 7.27 0.26 -4.76 117.38 116.81 2k46 n GLN 62 Ca 0.15 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.83 2k46 n GLN 62 Cb 0.65 -0.01 0.02 0.00 2.41 0.00 0.00 30.24 33.31 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 -3.46 0.72 0.00 1.69 -2.24 -0.78 -4.80 114.28 105.41 2k46 n THR 63 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2k46 n THR 63 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2k46 n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k46 n GLU 64 N 1.00 0.93 -0.31 -0.78 0.00 -1.22 -4.06 120.64 116.20 2k46 n GLU 64 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.29 2k46 n GLU 64 Cb 0.48 -0.62 -0.01 0.00 0.00 0.00 0.00 31.44 31.29 2k46 n GLU 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2k46 n ARG 65 N -0.91 -0.63 -2.09 3.44 1.74 -1.21 -3.60 116.66 113.41 2k46 n ARG 65 Ca 0.00 0.41 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 2k46 n ARG 65 Cb 0.12 -0.76 -0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2k46 n ARG 65 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2k46 s TYR 66 N -0.63 3.28 0.05 -1.55 5.04 -1.26 -4.95 117.35 117.32 2k46 s TYR 66 Ca 0.00 1.45 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 2k46 s TYR 66 Cb 0.00 -2.87 -0.02 0.00 0.35 0.00 0.00 41.96 39.42 2k46 s TYR 66 CO 0.00 -0.78 -0.10 0.54 -1.34 0.00 0.00 175.55 173.87 2k46 s ASN 67 N -3.23 1.14 0.00 4.32 2.20 -1.26 -5.06 114.94 113.05 2k46 s ASN 67 Ca 0.60 -0.53 0.00 0.00 -0.94 0.00 0.00 52.86 51.99 2k46 s ASN 67 Cb -0.13 -0.01 0.00 0.00 -2.00 0.00 0.00 41.25 39.12 2k46 s ASN 67 CO 0.40 -0.13 0.00 -1.84 -2.94 0.00 0.00 177.10 172.58 2k46 n GLU 68 N 1.54 0.00 -3.64 3.55 0.00 -1.26 -4.98 120.64 115.85 2k46 n GLU 68 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 56.89 2k46 n GLU 68 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.92 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2k46 s ASP 69 N 1.00 -0.82 -0.16 -1.84 -4.77 -1.26 -4.18 116.67 104.64 2k46 s ASP 69 Ca 0.00 1.31 -0.05 0.00 -3.30 0.00 0.00 52.55 50.51 2k46 s ASP 69 Cb 0.00 1.34 0.02 0.00 -1.09 0.00 0.00 42.92 43.18 2k46 s ASP 69 CO 0.00 -0.21 0.10 -0.24 0.70 0.00 0.00 175.17 175.52 2k46 n SER 70 N 4.13 -4.87 -3.62 2.11 2.88 -1.25 -5.01 113.62 107.98 2k46 n SER 70 Ca -0.20 1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 58.43 2k46 n SER 70 Cb 0.59 -4.05 -0.02 0.00 -0.75 0.00 0.00 64.21 59.98 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 -0.88 -0.32 0.00 0.66 -0.71 -1.13 -5.01 117.98 110.59 2k46 s PHE 71 Ca -0.11 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 2k46 s PHE 71 Cb 0.01 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 2k46 s PHE 71 CO 0.53 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.92 2k46 n GLY 72 N -0.39 2.82 3.21 1.99 0.00 -1.26 -2.62 105.19 108.94 2k46 n GLY 72 Ca -0.10 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.95 0.90 -0.07 1.61 1.51 -0.97 -4.70 117.35 114.67 2k46 s TYR 73 Ca 0.00 -1.22 0.05 0.00 -1.01 0.00 0.00 57.07 54.89 2k46 s TYR 73 Cb 0.00 -0.44 -0.01 0.00 -0.11 0.00 0.00 41.96 41.40 2k46 s TYR 73 CO 0.00 -0.60 -0.22 0.16 -1.11 0.00 0.00 175.55 173.78 2k46 s ASP 74 N -3.08 3.34 -0.50 2.29 1.47 -1.26 -2.46 116.67 116.47 2k46 s ASP 74 Ca 0.29 -0.45 0.03 0.00 1.18 0.00 0.00 52.55 53.60 2k46 s ASP 74 Cb 0.07 -1.04 0.14 0.00 -0.34 0.00 0.00 42.92 41.75 2k46 s ASP 74 CO 0.06 0.23 0.30 -0.63 0.68 0.00 0.00 175.17 175.81 2k46 s ILE 75 N -0.09 1.81 -0.03 2.11 1.09 0.50 -4.92 121.20 121.67 2k46 s ILE 75 Ca -0.05 -3.04 -0.32 0.00 -1.10 0.00 0.00 60.65 56.14 2k46 s ILE 75 Cb -0.14 -2.24 -0.10 0.00 -1.06 0.00 0.00 42.46 38.91 2k46 s ILE 75 CO 0.04 -0.93 1.94 -2.65 -0.10 0.00 0.00 174.94 173.24 2k46 n PRO 76 N 3.09 2.52 -4.21 2.79 -0.02 -1.26 -0.41 135.00 137.51 2k46 n PRO 76 Ca 0.12 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.23 2k46 n PRO 76 Cb 0.35 -2.84 -0.09 0.00 -0.02 0.00 0.00 33.50 30.91 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 4.38 3.57 0.00 4.25 1.01 -1.11 -4.94 121.20 128.36 2k46 s ILE 77 Ca 0.91 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2k46 s ILE 77 Cb -0.56 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2k46 s ILE 77 CO 0.47 0.04 0.15 0.29 0.00 0.00 0.00 174.94 175.89 2k46 n LYS 78 N 0.42 0.00 -4.45 2.79 5.02 -1.26 -4.83 118.16 115.85 2k46 n LYS 78 Ca -0.12 -0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 55.80 2k46 n LYS 78 Cb 0.53 -0.39 -0.10 0.00 -0.02 0.00 0.00 35.03 35.05 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 1.68 0.32 1.97 0.41 -1.26 -5.17 118.70 116.65 2k46 s GLU 79 Ca 0.00 -1.94 0.04 0.00 -0.41 0.00 0.00 54.97 52.66 2k46 s GLU 79 Cb 0.00 -0.81 -0.06 0.00 -1.78 0.00 0.00 34.13 31.48 2k46 s GLU 79 CO 0.00 -0.23 0.04 -1.21 -0.49 0.00 0.00 175.26 173.36 2k46 s GLU 80 N -3.88 1.66 0.00 1.61 8.01 -1.26 -5.00 118.70 119.83 2k46 s GLU 80 Ca 0.35 -1.91 0.00 0.00 0.01 0.00 0.00 54.97 53.42 2k46 s GLU 80 Cb 0.08 -0.97 0.00 0.00 -4.31 0.00 0.00 34.13 28.93 2k46 s GLU 80 CO 0.15 -0.14 0.00 0.41 0.01 0.00 0.00 175.26 175.69 2k46 n GLY 81 N -0.69 0.86 3.46 -1.39 0.00 -0.86 -4.86 105.19 101.71 2k46 n GLY 81 Ca -0.03 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.92 3.09 -0.19 1.61 2.02 -1.13 -1.83 118.70 120.34 2k46 s GLU 82 Ca 0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 54.97 53.98 2k46 s GLU 82 Cb 0.00 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2k46 s GLU 82 CO 0.00 -0.95 0.40 0.71 0.02 0.00 0.00 175.26 175.43 2k46 s TYR 83 N 2.19 3.39 -0.32 1.61 1.51 -0.49 -0.02 117.35 125.22 2k46 s TYR 83 Ca 0.12 0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 56.75 2k46 s TYR 83 Cb -0.18 -2.52 0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2k46 s TYR 83 CO 0.13 0.01 0.09 0.08 -1.11 0.00 0.00 175.55 174.74 2k46 s VAL 84 N 1.23 3.79 -0.45 0.71 1.01 -1.03 -0.12 120.40 125.53 2k46 s VAL 84 Ca 0.19 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 2k46 s VAL 84 Cb -0.15 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.25 2k46 s VAL 84 CO 0.08 -0.06 0.34 -0.22 0.00 0.00 0.00 175.10 175.23 2k46 s LEU 85 N 1.43 5.43 0.01 3.92 0.20 -1.08 -2.70 118.68 125.89 2k46 s LEU 85 Ca -0.00 -1.43 0.08 0.00 0.69 0.00 0.00 54.13 53.47 2k46 s LEU 85 Cb -0.18 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.46 2k46 s LEU 85 CO 0.02 -0.60 -0.23 0.54 -0.29 0.00 0.00 176.35 175.79 2k46 s VAL 86 N 1.54 2.40 -0.04 1.68 0.11 -1.00 -1.73 120.40 123.37 2k46 s VAL 86 Ca 0.04 -1.16 0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2k46 s VAL 86 Cb -0.24 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 2k46 s VAL 86 CO 0.04 0.46 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.41 2k46 s LEU 87 N -1.02 1.74 -0.39 2.54 1.02 -1.05 -1.48 118.68 120.04 2k46 s LEU 87 Ca 0.12 -0.22 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 2k46 s LEU 87 Cb -0.10 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.47 2k46 s LEU 87 CO 0.02 0.06 0.52 -0.75 0.02 0.00 0.00 176.35 176.21 2k46 s LYS 88 N 0.32 3.41 -0.03 1.70 2.47 -1.18 -2.56 119.74 123.87 2k46 s LYS 88 Ca -0.06 -0.37 -0.01 0.00 -1.56 0.00 0.00 55.97 53.97 2k46 s LYS 88 Cb -0.11 -3.88 -0.04 0.00 -1.46 0.00 0.00 37.83 32.34 2k46 s LYS 88 CO 0.01 -0.78 0.07 -0.06 0.16 0.00 0.00 175.35 174.76 2k46 s PHE 89 N 2.41 3.29 0.12 4.03 0.08 -0.83 -1.45 117.98 125.64 2k46 s PHE 89 Ca 0.18 0.24 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 2k46 s PHE 89 Cb -0.16 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2k46 s PHE 89 CO 0.15 0.55 0.29 0.00 -0.10 0.00 0.00 175.22 176.11 2k46 s ALA 90 N -1.11 -0.46 0.00 5.36 0.00 -1.16 -2.12 121.76 122.27 2k46 s ALA 90 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2k46 s ALA 90 Cb -0.12 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2k46 s ALA 90 CO 0.10 -0.59 0.00 -1.91 0.00 0.00 0.00 175.76 173.36 2k46 n GLU 91 N -0.15 0.00 -2.76 0.00 2.13 -1.26 -1.96 120.64 116.63 2k46 n GLU 91 Ca -0.14 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.66 2k46 n GLU 91 Cb 0.63 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.32 2k46 n GLU 91 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k46 n VAL 92 N 0.00-10.52 -0.01 6.31 0.31 -1.26 -4.88 118.33 108.28 2k46 n VAL 92 Ca 0.00 1.90 -0.02 0.00 -0.01 0.00 0.00 64.34 66.21 2k46 n VAL 92 Cb 0.00 -6.08 -0.02 0.00 -0.91 0.00 0.00 33.84 26.83 2k46 n VAL 92 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2k46 n TYR 93 N 1.24 0.00 -0.47 3.52 4.02 -1.26 -4.81 117.16 119.40 2k46 n TYR 93 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 2k46 n TYR 93 Cb 0.28 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2k46 n PHE 94 N -2.31 0.00 -2.69 -0.72 3.72 -1.26 -5.10 117.46 109.11 2k46 n PHE 94 Ca -0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.33 2k46 n PHE 94 Cb 0.57 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.08 -3.53 -3.31 4.37 0.00 -1.26 -5.07 120.51 111.62 2k46 n ALA 95 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 53.44 54.57 2k46 n ALA 95 Cb 0.12 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 16.97 2k46 n ALA 95 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k46 s GLN 96 N -1.23 0.57 0.22 0.00 -0.21 -1.26 -5.17 119.66 112.58 2k46 s GLN 96 Ca -0.12 0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.74 2k46 s GLN 96 Cb 0.01 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 2k46 s GLN 96 CO 0.77 -0.10 -0.04 -1.12 -2.12 0.00 0.00 175.29 172.68 2k46 s SER 97 N -0.22 4.49 -0.78 5.90 0.01 -1.26 -4.44 113.70 117.40 2k46 s SER 97 Ca -0.04 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2k46 s SER 97 Cb -0.03 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2k46 s SER 97 CO 0.02 0.06 0.00 1.67 0.41 0.00 0.00 173.24 175.40 2k46 n GLN 98 N -0.41 -2.10 0.00 12.44 -0.06 -1.26 -4.62 117.38 121.38 2k46 n GLN 98 Ca -0.09 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 2k46 n GLN 98 Cb 0.57 -4.89 0.00 0.00 -4.06 0.00 0.00 30.24 21.86 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2k46 n GLN 99 N -2.38 0.00 -2.95 3.69 7.27 -1.26 -4.90 117.38 116.85 2k46 n GLN 99 Ca -0.10 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.53 2k46 n GLN 99 Cb 0.49 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.53 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 -2.23 3.51 -4.29 3.69 5.02 -1.26 -4.99 118.16 117.61 2k46 n LYS 100 Ca 0.00 -3.98 -0.32 0.00 -2.02 0.00 0.00 58.31 51.99 2k46 n LYS 100 Cb 0.26 -2.89 -0.09 0.00 -0.02 0.00 0.00 35.03 32.29 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2k46 s VAL 101 N 0.52 4.04 0.39 -0.18 -7.23 -1.26 -3.90 120.40 112.78 2k46 s VAL 101 Ca 0.39 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2k46 s VAL 101 Cb -0.02 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 2k46 s VAL 101 CO -0.01 0.34 0.16 -0.36 -0.31 0.00 0.00 175.10 174.92 2k46 s PHE 102 N -1.11 1.76 -0.03 2.82 0.08 -0.41 -4.33 117.98 116.77 2k46 s PHE 102 Ca 0.20 -1.36 0.06 0.00 0.12 0.00 0.00 56.93 55.95 2k46 s PHE 102 Cb -0.11 -1.06 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 2k46 s PHE 102 CO 0.11 -0.42 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.09 2k46 s ASP 103 N -3.55 2.53 -0.03 1.36 1.11 -1.04 0.10 116.67 117.14 2k46 s ASP 103 Ca 0.27 -0.40 0.01 0.00 0.18 0.00 0.00 52.55 52.61 2k46 s ASP 103 Cb 0.03 -0.48 0.02 0.00 1.07 0.00 0.00 42.92 43.55 2k46 s ASP 103 CO 0.17 0.23 -0.04 -0.69 1.18 0.00 0.00 175.17 176.02 2k46 s VAL 104 N -0.29 0.45 0.04 -1.27 1.01 -0.52 -2.28 120.40 117.54 2k46 s VAL 104 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2k46 s VAL 104 Cb -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2k46 s VAL 104 CO 0.01 0.19 -0.10 -0.13 0.00 0.00 0.00 175.10 175.07 2k46 s ARG 105 N 0.70 0.67 -0.24 2.72 0.52 -0.66 -1.65 118.95 121.01 2k46 s ARG 105 Ca -0.09 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2k46 s ARG 105 Cb -0.12 -0.58 0.04 0.00 0.52 0.00 0.00 34.95 34.80 2k46 s ARG 105 CO -0.00 0.14 -0.09 0.14 0.02 0.00 0.00 175.30 175.50 2k46 s VAL 106 N -0.97 2.57 -1.86 3.52 -7.23 0.73 -2.17 120.40 115.00 2k46 s VAL 106 Ca -0.03 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2k46 s VAL 106 Cb -0.08 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2k46 s VAL 106 CO 0.01 0.17 0.00 -3.20 -0.31 0.00 0.00 175.10 171.77 2k46 n ASN 107 N 4.60 -5.70 0.00 4.85 4.05 0.14 -1.01 115.26 122.18 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 0.46 -4.80 0.00 0.00 1.23 0.00 0.00 39.78 36.67 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 -0.86 0.79 3.35 8.20 0.00 -1.18 -4.79 105.19 110.69 2k46 n GLY 108 Ca -0.23 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 3.19 0.14 1.61 3.76 -0.18 -5.01 115.29 116.80 2k46 s HIS 109 Ca 0.00 -1.01 -0.31 0.00 -0.15 0.00 0.00 55.06 53.59 2k46 s HIS 109 Cb 0.00 -2.30 -0.10 0.00 1.11 0.00 0.00 32.58 31.29 2k46 s HIS 109 CO 0.00 -0.60 1.58 0.95 -0.85 0.00 0.00 174.74 175.82 2k46 s THR 110 N 1.50 2.74 0.00 1.30 -4.23 -1.26 -0.19 115.64 115.50 2k46 s THR 110 Ca 0.02 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2k46 s THR 110 Cb -0.18 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2k46 s THR 110 CO 0.04 0.03 0.00 0.52 -0.54 0.00 0.00 174.62 174.67 2k46 n VAL 111 N 4.13 0.00 -3.56 2.29 0.31 -0.66 -4.92 118.33 115.92 2k46 n VAL 111 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.18 2k46 n VAL 111 Cb 0.39 -0.78 -0.12 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 -1.82 0.66 -0.99 2.52 1.01 -1.16 -5.04 120.40 115.58 2k46 s VAL 112 Ca 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 59.87 2k46 s VAL 112 Cb 0.00 -1.47 0.27 0.00 0.00 0.00 0.00 36.38 35.17 2k46 s VAL 112 CO 0.00 -0.96 1.07 2.29 0.00 0.00 0.00 175.10 177.50 2k46 n LYS 113 N 3.82 3.39 0.00 2.72 0.00 -1.26 -1.44 118.16 125.39 2k46 n LYS 113 Ca 0.11 -4.51 0.00 0.00 -0.00 0.00 0.00 58.31 53.91 2k46 n LYS 113 Cb 0.36 -2.47 0.00 0.00 -0.00 0.00 0.00 35.03 32.92 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k46 n ASP 114 N 2.04 0.00 -4.55 -5.58 5.68 0.11 -4.95 116.55 109.31 2k46 n ASP 114 Ca 0.24 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.23 2k46 n ASP 114 Cb 0.37 0.00 -0.04 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 3.25 -0.62 -2.12 2.96 -0.01 -4.37 118.68 117.78 2k46 s LEU 115 Ca 0.00 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 2k46 s LEU 115 Cb 0.00 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.33 2k46 s LEU 115 CO 0.00 -3.09 0.49 -0.62 -1.32 0.00 0.00 176.35 171.81 2k46 s ASP 116 N 11.34 5.82 0.16 3.68 -1.08 -1.25 -1.29 116.67 134.04 2k46 s ASP 116 Ca 0.92 -2.46 -0.20 0.00 -0.52 0.00 0.00 52.55 50.29 2k46 s ASP 116 Cb -0.15 -2.01 0.06 0.00 -1.46 0.00 0.00 42.92 39.36 2k46 s ASP 116 CO 0.20 -0.54 1.65 0.40 0.52 0.00 0.00 175.17 177.39 2k46 h ILE 117 N 5.46 0.49 0.08 4.11 2.04 -1.90 -1.82 117.51 125.97 2k46 h ILE 117 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2k46 h ILE 117 Cb 1.02 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2k46 h ILE 117 CO 0.78 0.00 -0.34 0.15 0.00 0.00 0.00 178.15 178.74 2k46 h PHE 118 N -0.13 -0.94 0.00 1.37 3.57 -1.83 -1.86 116.94 117.12 2k46 h PHE 118 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2k46 h PHE 118 Cb 0.38 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 2k46 h PHE 118 CO -0.37 -0.44 -0.07 0.22 -2.23 0.00 0.00 178.31 175.42 2k46 h ASP 119 N -0.55 0.00 0.54 0.41 3.58 -1.73 0.24 116.42 118.91 2k46 h ASP 119 Ca 0.04 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2k46 h ASP 119 Cb 0.60 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.65 2k46 h ASP 119 CO -0.22 0.07 -0.26 0.03 -2.88 0.00 0.00 179.24 175.97 2k46 h ARG 120 N 0.00 -0.70 0.00 0.28 2.47 -0.50 -3.41 114.38 112.53 2k46 h ARG 120 Ca -0.00 0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.49 2k46 h ARG 120 Cb 0.14 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 2k46 h ARG 120 CO 0.01 -0.41 -2.04 1.55 0.56 0.00 0.00 179.97 179.64 2k46 n VAL 121 N -5.27 1.04 0.00 2.04 3.14 -1.04 -5.12 118.33 113.13 2k46 n VAL 121 Ca -0.10 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2k46 n VAL 121 Cb 0.31 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k46 n GLY 122 N 2.56 0.02 3.65 7.55 0.00 0.85 -5.02 105.19 114.80 2k46 n GLY 122 Ca -0.33 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 2k46 n GLY 122 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k46 s HIS 123 N -0.08 1.78 0.00 1.61 -3.43 -1.26 -4.66 115.29 109.25 2k46 s HIS 123 Ca 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 2k46 s HIS 123 Cb 0.00 -4.00 0.00 0.00 -1.43 0.00 0.00 32.58 27.15 2k46 s HIS 123 CO 0.00 -4.08 0.00 0.43 -2.00 0.00 0.00 174.74 169.09 2k46 n SER 124 N 7.84 0.00 -0.37 7.38 7.64 -1.26 -4.87 113.62 129.98 2k46 n SER 124 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2k46 n SER 124 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k46 n THR 125 N 0.00 0.00 -4.84 0.44 -2.24 -1.26 -4.77 114.28 101.61 2k46 n THR 125 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2k46 n THR 125 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.58 2.71 0.05 6.98 0.00 -1.25 -4.56 121.76 124.11 2k46 s ALA 126 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2k46 s ALA 126 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2k46 s ALA 126 CO 0.00 0.53 0.02 -1.58 0.00 0.00 0.00 175.76 174.73 2k46 s HIS 127 N -0.65 3.07 -0.06 0.00 2.46 -0.90 -4.93 115.29 114.29 2k46 s HIS 127 Ca 0.10 0.04 -0.03 0.00 0.47 0.00 0.00 55.06 55.64 2k46 s HIS 127 Cb -0.11 -1.61 0.03 0.00 -0.13 0.00 0.00 32.58 30.77 2k46 s HIS 127 CO 0.01 0.48 0.13 0.16 -2.47 0.00 0.00 174.74 173.05 2k46 s ASP 128 N -2.04 -0.09 -0.24 9.88 1.47 -1.26 -1.96 116.67 122.44 2k46 s ASP 128 Ca 0.24 0.26 0.01 0.00 1.18 0.00 0.00 52.55 54.24 2k46 s ASP 128 Cb -0.12 0.16 0.06 0.00 -0.34 0.00 0.00 42.92 42.68 2k46 s ASP 128 CO 0.16 -0.14 -0.07 -1.61 0.68 0.00 0.00 175.17 174.20 2k46 s GLU 129 N 1.05 1.77 -0.15 2.11 2.02 -1.06 -5.00 118.70 119.44 2k46 s GLU 129 Ca -0.08 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 2k46 s GLU 129 Cb -0.11 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 2k46 s GLU 129 CO -0.05 -0.60 0.34 0.42 0.02 0.00 0.00 175.26 175.40 2k46 s ILE 130 N 1.32 5.27 -0.47 -1.63 1.01 -1.26 -2.52 121.20 122.91 2k46 s ILE 130 Ca -0.06 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.28 2k46 s ILE 130 Cb -0.19 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.75 2k46 s ILE 130 CO -0.06 0.38 0.30 -0.63 0.00 0.00 0.00 174.94 174.93 2k46 s ILE 131 N 0.47 1.28 0.49 2.92 -1.09 -0.70 -5.00 121.20 119.56 2k46 s ILE 131 Ca 0.19 -2.79 -0.24 0.00 -2.23 0.00 0.00 60.65 55.59 2k46 s ILE 131 Cb -0.14 -1.88 -0.07 0.00 -1.58 0.00 0.00 42.46 38.80 2k46 s ILE 131 CO 0.06 -1.01 1.37 -2.84 -1.23 0.00 0.00 174.94 171.29 2k46 s PRO 132 N 0.05 3.46 0.09 2.79 0.02 -1.26 -2.63 135.00 137.52 2k46 s PRO 132 Ca 0.23 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.54 2k46 s PRO 132 Cb -0.14 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 2k46 s PRO 132 CO -0.07 -0.95 -0.06 0.42 -0.33 0.00 0.00 177.00 176.01 2k46 s ILE 133 N -1.27 0.63 -0.21 2.83 1.01 0.82 -4.36 121.20 120.65 2k46 s ILE 133 Ca 0.66 -1.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 2k46 s ILE 133 Cb -0.41 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.53 2k46 s ILE 133 CO 0.51 -0.86 0.05 -0.94 0.00 0.00 0.00 174.94 173.69 2k46 s SER 134 N -2.94 3.03 -0.20 3.58 1.04 -1.06 -1.40 113.70 115.75 2k46 s SER 134 Ca 0.10 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 2k46 s SER 134 Cb 0.05 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 2k46 s SER 134 CO -0.05 -0.32 0.03 -0.63 0.98 0.00 0.00 173.24 173.25 2k46 s ILE 135 N 1.86 4.32 -0.10 -1.02 1.01 -0.76 -1.85 121.20 124.66 2k46 s ILE 135 Ca 0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 2k46 s ILE 135 Cb -0.17 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.37 2k46 s ILE 135 CO -0.11 0.42 0.38 -0.54 0.00 0.00 0.00 174.94 175.09 2k46 s LYS 136 N 0.86 0.57 -0.03 2.79 1.02 -0.87 -2.03 119.74 122.05 2k46 s LYS 136 Ca 0.02 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2k46 s LYS 136 Cb -0.14 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2k46 s LYS 136 CO 0.02 -0.11 0.00 1.63 -0.92 0.00 0.00 175.35 175.97 2k46 n LYS 137 N 2.20 -1.82 -0.22 1.68 5.02 -1.26 -1.33 118.16 122.43 2k46 n LYS 137 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2k46 n LYS 137 Cb 0.57 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 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 0.63 0.87 3.48 0.72 0.00 -1.26 -5.09 105.19 104.54 2k46 n GLY 138 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.54 1.69 -0.10 1.61 1.02 -0.44 -2.75 119.74 120.22 2k46 s LYS 139 Ca 0.00 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.23 2k46 s LYS 139 Cb 0.00 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2k46 s LYS 139 CO 0.00 0.31 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.39 2k46 s LEU 140 N -3.52 2.43 -0.23 3.17 0.20 0.05 -2.05 118.68 118.74 2k46 s LEU 140 Ca 0.30 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 2k46 s LEU 140 Cb -0.04 -1.51 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 2k46 s LEU 140 CO 0.15 0.19 -0.10 -0.55 -0.29 0.00 0.00 176.35 175.75 2k46 s SER 141 N 0.19 4.00 -0.30 3.68 0.15 -0.77 -1.55 113.70 119.10 2k46 s SER 141 Ca -0.11 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 55.71 2k46 s SER 141 Cb -0.16 -1.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.58 2k46 s SER 141 CO 0.06 -0.08 0.02 0.54 1.20 0.00 0.00 173.24 174.97 2k46 s VAL 142 N 1.31 3.24 0.00 4.45 0.11 -0.41 -2.56 120.40 126.54 2k46 s VAL 142 Ca 0.01 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2k46 s VAL 142 Cb -0.16 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 2k46 s VAL 142 CO -0.07 -0.04 0.00 0.00 -3.33 0.00 0.00 175.10 171.66 2k46 n GLN 143 N 4.70 0.00 -1.45 1.54 1.13 -1.26 -0.81 117.38 121.23 2k46 n GLN 143 Ca -0.14 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.86 2k46 n GLN 143 Cb 0.45 0.00 0.10 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 4.89 3.07 1.08 0.00 -1.26 -5.01 105.19 107.96 2k46 n GLY 144 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.10 0.22 0.02 1.61 2.12 0.01 -5.16 118.70 114.43 2k46 s GLU 145 Ca 0.42 0.48 0.01 0.00 0.36 0.00 0.00 54.97 56.23 2k46 s GLU 145 Cb 0.38 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2k46 s GLU 145 CO -0.04 -0.13 0.07 0.54 -0.54 0.00 0.00 175.26 175.17 2k46 s VAL 146 N 0.96 4.60 0.27 3.70 0.11 -1.26 -1.29 120.40 127.49 2k46 s VAL 146 Ca -0.07 -0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 58.24 2k46 s VAL 146 Cb -0.08 -3.13 0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2k46 s VAL 146 CO -0.06 0.29 0.77 -0.44 -3.33 0.00 0.00 175.10 172.33 2k46 s SER 147 N -1.90 -0.21 -0.06 3.54 0.01 -0.60 -5.01 113.70 109.47 2k46 s SER 147 Ca 0.24 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 2k46 s SER 147 Cb -0.12 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 2k46 s SER 147 CO 0.16 -1.32 0.21 0.28 0.41 0.00 0.00 173.24 172.98 2k46 s THR 148 N -3.59 5.39 0.26 1.44 -1.32 -1.26 -0.77 115.64 115.79 2k46 s THR 148 Ca 0.12 0.25 -0.29 0.00 -1.21 0.00 0.00 61.69 60.56 2k46 s THR 148 Cb -0.05 -3.50 -0.09 0.00 -1.51 0.00 0.00 72.50 67.35 2k46 s THR 148 CO 0.07 0.52 0.98 0.12 -2.21 0.00 0.00 174.62 174.10 2k46 s PHE 149 N -1.13 3.84 -0.32 9.09 5.36 -1.11 -4.67 117.98 129.05 2k46 s PHE 149 Ca 0.20 1.85 -0.02 0.00 -0.96 0.00 0.00 56.93 58.00 2k46 s PHE 149 Cb -0.13 -3.04 0.12 0.00 -0.34 0.00 0.00 43.02 39.63 2k46 s PHE 149 CO 0.10 0.18 0.17 0.95 -1.46 0.00 0.00 175.22 175.16 2k46 s THR 150 N -1.25 0.03 0.00 0.12 -4.23 -1.26 -4.87 115.64 104.18 2k46 s THR 150 Ca 0.43 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2k46 s THR 150 Cb -0.26 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.54 2k46 s THR 150 CO 0.33 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 2k46 n GLY 151 N 4.68 1.06 3.59 3.99 0.00 -1.26 -4.82 105.19 112.43 2k46 n GLY 151 Ca 0.02 -0.02 -0.11 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 1.82 -0.20 1.61 0.00 -1.26 -2.76 119.74 118.95 2k46 s LYS 152 Ca 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 55.97 54.39 2k46 s LYS 152 Cb 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 37.83 38.27 2k46 s LYS 152 CO 0.00 -0.77 0.10 -1.17 0.00 0.00 0.00 175.35 173.51 2k46 s LEU 153 N -3.12 3.99 -0.25 2.77 0.20 0.46 -4.85 118.68 117.88 2k46 s LEU 153 Ca 0.25 0.13 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 2k46 s LEU 153 Cb -0.01 -2.03 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2k46 s LEU 153 CO 0.14 0.16 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.73 2k46 s SER 154 N 0.49 4.26 -0.52 3.68 0.15 -1.26 -0.37 113.70 120.12 2k46 s SER 154 Ca 0.06 -0.97 -0.20 0.00 0.70 0.00 0.00 55.95 55.53 2k46 s SER 154 Cb -0.12 -1.63 0.06 0.00 -1.71 0.00 0.00 66.02 62.62 2k46 s SER 154 CO -0.00 -0.14 0.68 -0.69 1.20 0.00 0.00 173.24 174.29 2k46 s VAL 155 N 1.28 4.80 -0.12 4.45 1.01 -1.03 0.25 120.40 131.03 2k46 s VAL 155 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2k46 s VAL 155 Cb -0.17 -4.35 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 2k46 s VAL 155 CO -0.05 -0.88 -0.20 -0.70 0.00 0.00 0.00 175.10 173.27 2k46 s GLU 156 N 2.83 3.13 0.06 2.72 2.12 -0.92 -2.28 118.70 126.36 2k46 s GLU 156 Ca 0.17 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2k46 s GLU 156 Cb -0.19 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 2k46 s GLU 156 CO 0.12 0.13 -0.25 -0.59 -0.54 0.00 0.00 175.26 174.13 2k46 s PHE 157 N 0.50 2.21 0.03 5.30 -0.12 -1.08 -1.65 117.98 123.16 2k46 s PHE 157 Ca -0.13 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 2k46 s PHE 157 Cb -0.17 -1.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 2k46 s PHE 157 CO 0.05 0.17 -0.21 0.08 -0.05 0.00 0.00 175.22 175.26 2k46 s VAL 158 N -0.87 2.55 0.33 -2.49 1.01 -0.97 -2.82 120.40 117.15 2k46 s VAL 158 Ca 0.11 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 2k46 s VAL 158 Cb -0.10 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2k46 s VAL 158 CO 0.03 0.40 0.80 -1.59 0.00 0.00 0.00 175.10 174.74 2k46 s LYS 159 N -1.23 4.15 0.00 2.72 0.00 -1.26 -2.50 119.74 121.63 2k46 s LYS 159 Ca 0.13 0.87 0.23 0.00 0.00 0.00 0.00 55.97 57.20 2k46 s LYS 159 Cb -0.10 -2.49 0.21 0.00 0.00 0.00 0.00 37.83 35.45 2k46 s LYS 159 CO 0.03 0.17 1.25 0.41 0.00 0.00 0.00 175.35 177.21 2k46 n GLY 160 N -0.15 1.00 0.75 0.59 0.00 -1.26 -4.87 105.19 101.25 2k46 n GLY 160 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.32 -0.69 -2.66 1.61 9.36 -1.26 -5.09 117.16 119.76 2k46 n TYR 161 Ca 0.14 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.32 2k46 n TYR 161 Cb 0.58 0.19 0.06 0.00 -0.63 0.00 0.00 39.34 39.54 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 -1.56 -0.27 0.00 2.98 9.36 -1.26 -5.03 117.16 121.38 2k46 n TYR 162 Ca 0.00 -0.58 0.00 0.00 3.32 0.00 0.00 57.90 60.64 2k46 n TYR 162 Cb 0.00 1.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.75 2k46 n TYR 162 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2k46 n ASP 163 N 1.88 0.00 -1.31 2.98 -0.08 -1.26 -5.07 116.55 113.69 2k46 n ASP 163 Ca 0.04 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.48 2k46 n ASP 163 Cb 0.69 0.06 -0.08 0.00 2.34 0.00 0.00 41.12 44.13 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k46 n ASN 164 N -1.36 -7.33 -4.45 1.67 3.02 -1.26 -4.47 115.26 101.08 2k46 n ASN 164 Ca 0.00 1.21 -0.45 0.00 -0.03 0.00 0.00 54.58 55.31 2k46 n ASN 164 Cb 0.00 -4.42 -0.12 0.00 -0.61 0.00 0.00 39.78 34.64 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k46 n PRO 165 N -4.13 0.30 0.07 3.52 -0.02 -1.26 -4.83 135.00 128.66 2k46 n PRO 165 Ca -0.07 0.04 -0.06 0.00 -2.02 0.00 0.00 63.50 61.39 2k46 n PRO 165 Cb 0.62 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 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 12.63 -0.30 -5.66 -0.52 1.63 -1.79 -3.41 116.57 119.15 2k46 h LYS 166 Ca -0.12 0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 59.11 2k46 h LYS 166 Cb 1.33 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.94 2k46 h LYS 166 CO 1.25 -0.20 -0.25 0.08 -3.45 0.00 0.00 179.45 176.88 2k46 s VAL 167 N -3.96 5.23 -0.05 2.00 1.01 -0.83 -4.68 120.40 119.12 2k46 s VAL 167 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2k46 s VAL 167 Cb 0.02 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2k46 s VAL 167 CO 0.21 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.69 2k46 n ALA 169 N 4.28 4.57 -1.57 0.00 0.00 -0.53 -0.18 120.51 127.08 2k46 n ALA 169 Ca -0.22 -3.61 -0.53 0.00 0.00 0.00 0.00 53.44 49.09 2k46 n ALA 169 Cb 0.51 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.73 1.34 -3.60 0.00 7.94 0.57 -3.09 117.00 119.43 2k46 n LEU 170 Ca 0.37 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 56.20 2k46 n LEU 170 Cb 0.92 -1.15 -0.15 0.00 0.53 0.00 0.00 43.42 43.57 2k46 n LEU 170 CO 0.30 -1.22 -0.26 0.12 -1.11 0.00 0.00 177.39 175.23 2k46 s PHE 171 N 0.35 -0.10 -0.18 1.96 5.36 -0.55 -0.19 117.98 124.63 2k46 s PHE 171 Ca 0.85 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 57.04 2k46 s PHE 171 Cb -1.00 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2k46 s PHE 171 CO 0.49 -0.43 -0.10 -1.50 -1.46 0.00 0.00 175.22 172.22 2k46 s ILE 172 N 2.26 3.06 0.37 3.12 2.07 -0.43 -2.37 121.20 129.28 2k46 s ILE 172 Ca 0.04 -0.62 0.09 0.00 -1.41 0.00 0.00 60.65 58.75 2k46 s ILE 172 Cb -0.14 -2.34 -0.07 0.00 0.13 0.00 0.00 42.46 40.04 2k46 s ILE 172 CO -0.08 0.48 -0.05 0.00 -1.91 0.00 0.00 174.94 173.38 2k46 s MET 173 N 1.01 1.89 0.05 3.50 0.00 -1.10 -2.79 119.30 121.87 2k46 s MET 173 Ca -0.01 -1.98 0.09 0.00 0.00 0.00 0.00 55.69 53.79 2k46 s MET 173 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 34.83 32.95 2k46 s MET 173 CO -0.01 0.07 -0.26 -1.59 0.00 0.00 0.00 175.02 173.23 2k46 s LYS 174 N -3.66 1.72 0.00 3.16 -2.85 -1.09 -2.45 119.74 114.57 2k46 s LYS 174 Ca 0.34 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2k46 s LYS 174 Cb 0.05 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 2k46 s LYS 174 CO 0.17 0.49 0.00 0.41 0.10 0.00 0.00 175.35 176.52 2k46 n GLY 175 N 1.75 3.04 0.00 0.59 0.00 0.98 -4.78 105.19 106.77 2k46 n GLY 175 Ca -0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.05 2.61 -2.24 0.03 -2.85 114.28 111.88 2k46 n THR 176 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2k46 n THR 176 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.64 -0.17 6.98 0.00 -1.95 -3.34 119.26 121.41 2k46 h ALA 177 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 54.91 54.09 2k46 h ALA 177 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k46 h ALA 177 CO 0.00 1.01 0.22 0.22 0.00 0.00 0.00 179.25 180.71 2k46 h ASP 178 N 0.00 0.00 -0.26 0.00 3.58 -1.99 -0.85 116.42 116.90 2k46 h ASP 178 Ca -0.13 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2k46 h ASP 178 Cb 1.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.68 2k46 h ASP 178 CO 0.07 0.00 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.61 2k46 h ASP 179 N 0.00 0.48 0.00 2.28 3.58 -1.99 -3.43 116.42 117.34 2k46 h ASP 179 Ca 0.08 -0.34 -0.34 0.00 0.42 0.00 0.00 57.03 56.85 2k46 h ASP 179 Cb 0.52 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 2k46 h ASP 179 CO -0.00 0.71 1.26 0.52 -2.88 0.00 0.00 179.24 178.85 2k46 n VAL 180 N -4.57 0.00 -1.64 2.25 0.31 -0.32 -4.75 118.33 109.60 2k46 n VAL 180 Ca -0.03 -0.04 -0.51 0.00 -0.01 0.00 0.00 64.34 63.75 2k46 n VAL 180 Cb 0.28 -0.31 -0.05 0.00 -0.91 0.00 0.00 33.84 32.84 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 5.73 1.56 -2.94 5.55 -0.02 -1.26 -4.94 135.00 138.68 2k46 n PRO 181 Ca 0.47 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 62.14 2k46 n PRO 181 Cb 0.03 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 2k46 n PRO 181 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k46 s MET 182 N 1.58 4.45 -0.41 -0.52 0.23 -1.26 -5.03 119.30 118.34 2k46 s MET 182 Ca 0.86 1.12 -0.21 0.00 -1.03 0.00 0.00 55.69 56.43 2k46 s MET 182 Cb -0.86 -2.92 0.02 0.00 -1.53 0.00 0.00 34.83 29.53 2k46 s MET 182 CO 0.48 0.38 0.64 -0.51 -2.03 0.00 0.00 175.02 173.98 2k46 s LEU 183 N -1.85 4.41 0.39 0.18 1.02 -1.26 -5.04 118.68 116.53 2k46 s LEU 183 Ca 0.45 -0.17 -0.25 0.00 0.02 0.00 0.00 54.13 54.17 2k46 s LEU 183 Cb -0.19 -2.74 -0.11 0.00 0.02 0.00 0.00 46.19 43.17 2k46 s LEU 183 CO 0.23 -0.71 1.06 0.00 0.02 0.00 0.00 176.35 176.95 2k46 n GLN 184 N 6.18 1.49 -1.50 1.70 3.00 -1.26 -4.83 117.38 122.16 2k46 n GLN 184 Ca -0.02 0.53 -0.49 0.00 -0.01 0.00 0.00 57.00 57.02 2k46 n GLN 184 Cb 0.48 -2.07 -0.03 0.00 0.00 0.00 0.00 30.24 28.62 2k46 n GLN 184 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2k46 n PRO 185 N 0.29 0.61 -4.00 -1.09 -0.02 -1.26 -4.99 135.00 124.54 2k46 n PRO 185 Ca 0.09 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 2k46 n PRO 185 Cb 0.38 -1.49 -0.17 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.70 0.82 0.00 6.00 2.46 -1.26 -5.15 115.29 117.46 2k46 s HIS 186 Ca 0.68 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.95 2k46 s HIS 186 Cb -0.90 -0.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 2k46 s HIS 186 CO 0.56 -0.28 0.00 -0.35 -2.47 0.00 0.00 174.74 172.20 2k46 n PRO 187 N 4.56 1.97 0.00 2.88 -0.04 -1.26 -5.08 135.00 138.03 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 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 5.00 0.00 3.86 0.55 0.00 -1.26 -5.16 105.19 108.18 2k46 n GLY 188 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.76 0.00 0.99 1.43 -1.26 -5.35 118.68 118.24 2k46 s LEU 189 Ca 0.00 1.33 0.24 0.00 -1.03 0.00 0.00 54.13 54.67 2k46 s LEU 189 Cb 0.00 -4.23 0.23 0.00 0.03 0.00 0.00 46.19 42.23 2k46 s LEU 189 CO 0.00 -0.47 1.28 -0.62 0.23 0.00 0.00 176.35 176.78