#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 0.00 -3.66 4.61 0.00 -1.26 -5.06 120.51 115.14 2k46 n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2k46 n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2k46 n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2k46 s MET 3 N -0.98 0.97 0.46 0.00 1.00 -1.26 -5.12 119.30 114.37 2k46 s MET 3 Ca 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 55.69 54.17 2k46 s MET 3 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 34.83 32.84 2k46 s MET 3 CO 0.00 -1.12 0.56 -1.54 0.00 0.00 0.00 175.02 172.92 2k46 s SER 4 N 0.86 5.30 0.00 3.03 1.04 -1.26 -4.99 113.70 117.68 2k46 s SER 4 Ca 0.16 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2k46 s SER 4 Cb -0.22 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2k46 s SER 4 CO -0.07 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.87 2k46 n GLY 5 N -1.86 0.00 0.16 7.32 0.00 -1.26 -5.06 105.19 104.49 2k46 n GLY 5 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.56 -2.33 0.99 5.85 -1.90 -2.98 115.31 115.50 2k46 h LEU 6 Ca 0.00 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.13 2k46 h LEU 6 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2k46 h LEU 6 CO 0.00 1.07 0.22 0.00 -0.34 0.00 0.00 178.44 179.39 2k46 h ALA 7 N 0.51 1.34 0.00 1.25 0.00 -1.79 0.19 119.26 120.76 2k46 h ALA 7 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k46 h ALA 7 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k46 h ALA 7 CO 0.08 -0.24 0.00 0.22 0.00 0.00 0.00 179.25 179.31 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.88 -3.24 116.42 114.88 2k46 h ASP 8 Ca 0.02 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.28 2k46 h ASP 8 Cb 0.46 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 2k46 h ASP 8 CO -0.00 0.00 -2.01 0.29 -2.88 0.00 0.00 179.24 174.64 2k46 n LYS 9 N -2.83 1.05 -1.40 0.28 4.76 0.03 -5.01 118.16 115.04 2k46 n LYS 9 Ca 0.03 -0.06 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 2k46 n LYS 9 Cb 0.39 -1.42 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.43 1.45 0.00 -0.18 3.14 -1.03 -2.83 118.33 116.44 2k46 n VAL 10 Ca -0.18 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 2k46 n VAL 10 Cb 0.83 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -0.71 0.00 -3.64 1.55 -5.35 -1.17 -4.85 119.36 105.18 2k46 n ILE 11 Ca 0.12 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.54 2k46 n ILE 11 Cb 0.37 -0.03 -0.07 0.00 -1.74 0.00 0.00 39.64 38.17 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 -0.68 -0.37 -0.18 4.28 -0.00 -1.14 -5.09 118.94 115.76 2k46 s TRP 12 Ca 0.00 0.87 -0.26 0.00 -0.00 0.00 0.00 56.10 56.71 2k46 s TRP 12 Cb 0.00 0.39 0.07 0.00 -0.00 0.00 0.00 33.47 33.92 2k46 s TRP 12 CO 0.00 -0.18 0.68 0.00 -0.00 0.00 0.00 176.95 177.45 2k46 s ALA 13 N 0.28 -1.71 -0.12 5.86 0.00 -1.26 -0.98 121.76 123.83 2k46 s ALA 13 Ca 0.03 1.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 2k46 s ALA 13 Cb -0.05 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2k46 s ALA 13 CO -0.09 -0.34 0.29 0.08 0.00 0.00 0.00 175.76 175.70 2k46 s VAL 14 N -0.24 -0.03 -0.63 0.00 1.01 0.02 -2.09 120.40 118.43 2k46 s VAL 14 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2k46 s VAL 14 Cb -0.03 -0.44 0.16 0.00 0.00 0.00 0.00 36.38 36.07 2k46 s VAL 14 CO 0.04 0.05 0.43 0.21 0.00 0.00 0.00 175.10 175.83 2k46 s ASN 15 N 1.15 5.04 -0.34 3.32 2.47 -1.26 0.13 114.94 125.46 2k46 s ASN 15 Ca -0.08 -3.05 -0.27 0.00 0.42 0.00 0.00 52.86 49.87 2k46 s ASN 15 Cb -0.09 -1.79 -0.05 0.00 -1.45 0.00 0.00 41.25 37.87 2k46 s ASN 15 CO -0.08 -0.29 2.27 0.00 -3.72 0.00 0.00 177.10 175.27 2k46 s ALA 16 N -0.35 2.27 0.00 1.71 0.00 0.68 -3.40 121.76 122.67 2k46 s ALA 16 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2k46 s ALA 16 Cb -0.20 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2k46 s ALA 16 CO -0.04 -3.49 0.00 0.41 0.00 0.00 0.00 175.76 172.64 2k46 n GLY 17 N 5.84 1.14 0.00 0.00 0.00 -1.26 -2.97 105.19 107.95 2k46 n GLY 17 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.06 3.27 -0.02 0.00 -1.22 -3.73 105.19 104.55 2k46 n GLY 18 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2k46 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 19 N 4.09 0.33 0.00 1.61 2.02 -1.26 -4.38 118.70 121.10 2k46 s GLU 19 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2k46 s GLU 19 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 2k46 s GLU 19 CO 0.00 -0.26 0.00 0.43 0.02 0.00 0.00 175.26 175.45 2k46 n SER 20 N 5.39 -1.40 -4.26 -0.19 7.64 -1.24 -4.90 113.62 114.67 2k46 n SER 20 Ca -0.08 0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 2k46 n SER 20 Cb 0.49 -0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N 0.00 1.65 -0.32 1.43 2.46 -1.05 -4.91 115.29 114.55 2k46 s HIS 21 Ca 0.00 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.10 2k46 s HIS 21 Cb 0.00 -0.90 0.08 0.00 -0.13 0.00 0.00 32.58 31.62 2k46 s HIS 21 CO 0.00 0.18 0.03 0.08 -2.47 0.00 0.00 174.74 172.56 2k46 s VAL 22 N -1.28 2.70 0.64 0.89 1.01 -1.26 -0.17 120.40 122.94 2k46 s VAL 22 Ca 0.05 -1.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.06 2k46 s VAL 22 Cb -0.10 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2k46 s VAL 22 CO 0.04 -0.34 1.11 -0.62 0.00 0.00 0.00 175.10 175.29 2k46 s ASP 23 N 1.26 5.19 0.23 3.32 2.15 0.54 -4.83 116.67 124.53 2k46 s ASP 23 Ca 0.01 2.02 -0.12 0.00 0.43 0.00 0.00 52.55 54.89 2k46 s ASP 23 Cb -0.20 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.17 2k46 s ASP 23 CO -0.04 -1.57 1.60 -0.37 -0.17 0.00 0.00 175.17 174.61 2k46 h VAL 24 N 0.18 0.21 0.00 1.11 -1.51 -1.95 1.10 116.25 115.40 2k46 h VAL 24 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k46 h VAL 24 Cb 1.25 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2k46 h VAL 24 CO 0.54 0.00 0.05 0.45 -1.23 0.00 0.00 177.57 177.38 2k46 h HIS 25 N -0.01 0.00 0.00 5.19 3.86 -2.03 -3.44 115.15 118.71 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 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2k46 h HIS 25 CO -0.62 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.58 2k46 n GLY 26 N -1.21 1.52 3.52 2.45 0.00 0.38 -3.81 105.19 108.05 2k46 n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.68 -0.14 -0.61 -1.09 -1.10 -4.49 121.20 116.45 2k46 s ILE 27 Ca 0.00 -0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 2k46 s ILE 27 Cb 0.00 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2k46 s ILE 27 CO 0.00 0.33 0.14 -2.28 -1.23 0.00 0.00 174.94 171.90 2k46 s HIS 28 N 1.48 3.54 -0.18 3.97 5.65 -1.26 -0.34 115.29 128.16 2k46 s HIS 28 Ca 0.06 0.47 -0.08 0.00 0.25 0.00 0.00 55.06 55.76 2k46 s HIS 28 Cb -0.15 -2.01 -0.04 0.00 -1.18 0.00 0.00 32.58 29.20 2k46 s HIS 28 CO 0.05 0.60 0.10 -0.47 -0.65 0.00 0.00 174.74 174.38 2k46 s TYR 29 N -0.61 3.36 -0.45 3.88 5.04 0.76 -4.19 117.35 125.14 2k46 s TYR 29 Ca 0.13 0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 54.78 2k46 s TYR 29 Cb -0.12 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.12 2k46 s TYR 29 CO 0.02 0.29 0.74 1.03 -1.34 0.00 0.00 175.55 176.29 2k46 s ARG 30 N 0.19 3.35 0.00 4.97 0.52 -0.89 -2.52 118.95 124.57 2k46 s ARG 30 Ca 0.07 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2k46 s ARG 30 Cb -0.12 -3.95 0.00 0.00 0.52 0.00 0.00 34.95 31.40 2k46 s ARG 30 CO -0.01 -1.11 0.00 1.17 0.02 0.00 0.00 175.30 175.38 2k46 n LYS 31 N 6.59 0.00 0.00 3.54 4.81 -1.26 -3.86 118.16 127.98 2k46 n LYS 31 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2k46 n LYS 31 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k46 n ASP 32 N 0.00 0.00 -3.26 3.14 5.75 -1.26 -4.78 116.55 116.14 2k46 n ASP 32 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 2k46 n ASP 32 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2k46 n PRO 33 N 0.00 4.28 0.00 0.11 -0.04 -1.25 -4.35 135.00 133.75 2k46 n PRO 33 Ca 0.00 -4.42 0.00 0.00 -0.04 0.00 0.00 63.50 59.04 2k46 n PRO 33 Cb 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 -0.24 0.00 -4.55 1.53 7.94 -1.26 -4.84 117.00 115.58 2k46 n LEU 34 Ca 0.45 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.22 2k46 n LEU 34 Cb 0.31 0.04 -0.09 0.00 0.53 0.00 0.00 43.42 44.21 2k46 n LEU 34 CO 0.47 -0.06 1.27 -1.84 -1.11 0.00 0.00 177.39 176.12 2k46 n GLU 35 N -1.19 0.47 0.00 1.96 0.00 -1.26 -2.15 120.64 118.48 2k46 n GLU 35 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 57.16 56.31 2k46 n GLU 35 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 31.44 27.96 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k46 n GLY 36 N 6.64 2.23 2.74 -1.84 0.00 -1.26 -4.02 105.19 109.68 2k46 n GLY 36 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -1.92 -2.65 -3.77 1.61 1.74 -0.91 -4.90 116.66 105.86 2k46 n ARG 37 Ca 0.00 0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 57.27 2k46 n ARG 37 Cb 0.00 -4.90 -0.10 0.00 -1.02 0.00 0.00 32.46 26.44 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k46 s VAL 38 N -2.46 0.03 -1.70 1.55 0.11 -1.26 -4.88 120.40 111.79 2k46 s VAL 38 Ca 0.11 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 2k46 s VAL 38 Cb -0.06 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2k46 s VAL 38 CO 0.14 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2k46 n GLY 39 N 2.25 0.44 0.05 6.54 0.00 -1.26 -5.03 105.19 108.18 2k46 n GLY 39 Ca -0.17 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2k46 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 40 N 0.00 0.00 -3.65 1.61 5.12 -1.26 -5.07 116.66 113.41 2k46 n ARG 40 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2k46 n ARG 40 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k46 s ALA 41 N -2.00 -2.20 -0.39 7.54 0.00 -1.26 -4.66 121.76 118.78 2k46 s ALA 41 Ca 0.00 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 2k46 s ALA 41 Cb 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 23.12 21.49 2k46 s ALA 41 CO 0.00 -0.11 2.50 0.43 0.00 0.00 0.00 175.76 178.58 2k46 n SER 42 N 1.59 6.45 -0.80 0.00 7.64 -1.14 -4.64 113.62 122.73 2k46 n SER 42 Ca -0.10 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2k46 n SER 42 Cb 0.57 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N 0.70 1.53 -0.33 6.43 5.75 -1.25 -4.15 116.55 125.22 2k46 n ASP 43 Ca 0.42 -1.40 0.12 0.00 -0.01 0.00 0.00 54.79 53.92 2k46 n ASP 43 Cb 0.58 -0.35 0.34 0.00 -1.03 0.00 0.00 41.12 40.65 2k46 n ASP 43 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2k46 h TYR 44 N 0.48 0.98 -1.74 2.11 3.20 -1.89 -1.21 116.97 118.89 2k46 h TYR 44 Ca 0.00 0.03 -0.72 0.00 3.14 0.00 0.00 58.73 61.18 2k46 h TYR 44 Cb 0.56 -0.30 -0.30 0.00 1.54 0.00 0.00 36.73 38.22 2k46 h TYR 44 CO 0.00 0.30 0.68 0.41 -1.64 0.00 0.00 178.16 177.91 2k46 n GLY 45 N -1.38 5.68 0.19 1.82 0.00 -1.26 -4.70 105.19 105.54 2k46 n GLY 45 Ca 0.21 -2.51 0.12 0.00 0.00 0.00 0.00 46.02 43.83 2k46 n GLY 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2k46 h MET 46 N 2.77 0.00 0.00 1.61 -1.53 -1.55 -3.42 114.93 112.81 2k46 h MET 46 Ca 0.52 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.78 2k46 h MET 46 Cb 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 2k46 h MET 46 CO 1.34 0.00 0.00 0.36 0.14 0.00 0.00 176.91 178.75 2k46 n LYS 47 N -2.34 -0.27 -3.64 0.39 2.85 -1.26 -4.44 118.16 109.44 2k46 n LYS 47 Ca -0.02 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.04 2k46 n LYS 47 Cb 0.10 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.52 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k46 n LEU 48 N 0.00 -3.31 -4.60 -5.58 4.77 -1.26 -4.81 117.00 102.20 2k46 n LEU 48 Ca 0.00 -0.79 -0.49 0.00 -0.03 0.00 0.00 56.01 54.70 2k46 n LEU 48 Cb 0.00 -2.75 -0.05 0.00 -2.33 0.00 0.00 43.42 38.29 2k46 n LEU 48 CO 0.00 0.40 1.62 -0.81 -1.33 0.00 0.00 177.39 177.27 2k46 n PRO 49 N -4.23 1.73 -1.63 3.23 -0.04 -1.26 -4.85 135.00 127.95 2k46 n PRO 49 Ca -0.29 0.58 -0.52 0.00 -0.04 0.00 0.00 63.50 63.23 2k46 n PRO 49 Cb 0.68 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k46 n ILE 50 N 6.10 0.07 0.05 0.52 -0.00 -1.26 -4.88 119.36 119.97 2k46 n ILE 50 Ca 0.30 -0.01 -0.11 0.00 -0.00 0.00 0.00 62.75 62.92 2k46 n ILE 50 Cb 0.28 -1.05 -0.13 0.00 -0.00 0.00 0.00 39.64 38.74 2k46 n ILE 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k46 h LEU 51 N 5.40 0.15 -2.38 1.39 4.07 -1.89 -3.33 115.31 118.72 2k46 h LEU 51 Ca -0.47 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2k46 h LEU 51 Cb 1.32 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2k46 h LEU 51 CO 0.83 1.16 0.00 0.54 -1.08 0.00 0.00 178.44 179.89 2k46 n ARG 52 N -3.34 0.96 -3.62 1.13 3.00 -1.26 -4.71 116.66 108.82 2k46 n ARG 52 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.64 2k46 n ARG 52 Cb 1.00 -1.02 -0.07 0.00 0.00 0.00 0.00 32.46 32.37 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 1.37 -0.51 1.02 0.55 0.15 -1.25 -4.85 113.70 110.17 2k46 s SER 53 Ca 0.00 0.90 -0.11 0.00 0.70 0.00 0.00 55.95 57.44 2k46 s SER 53 Cb 0.00 0.89 0.20 0.00 -1.71 0.00 0.00 66.02 65.40 2k46 s SER 53 CO 0.00 -0.23 1.09 0.54 1.20 0.00 0.00 173.24 175.84 2k46 s ASN 54 N -0.04 2.09 0.31 5.45 2.20 -1.26 -4.51 114.94 119.17 2k46 s ASN 54 Ca 0.01 1.89 0.07 0.00 -0.94 0.00 0.00 52.86 53.88 2k46 s ASN 54 Cb -0.04 -2.45 0.82 0.00 -2.00 0.00 0.00 41.25 37.58 2k46 s ASN 54 CO -0.02 -3.57 1.69 -0.65 -2.94 0.00 0.00 177.10 171.61 2k46 h PRO 55 N -2.19 0.39 0.20 3.55 0.11 -1.98 0.48 132.00 132.56 2k46 h PRO 55 Ca -0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2k46 h PRO 55 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k46 h PRO 55 CO 0.46 0.26 -0.10 0.93 -0.21 0.00 0.00 178.00 179.34 2k46 h GLU 56 N 0.40 -0.26 0.00 1.05 4.39 -1.99 -2.85 114.58 115.33 2k46 h GLU 56 Ca 0.61 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.33 2k46 h GLU 56 Cb 1.21 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2k46 h GLU 56 CO -0.55 0.11 0.00 -0.40 -1.16 0.00 0.00 179.01 177.01 2k46 n ASP 57 N -4.95 0.00 0.11 1.42 5.68 -1.06 -2.48 116.55 115.27 2k46 n ASP 57 Ca -0.07 -0.21 -0.05 0.00 -0.50 0.00 0.00 54.79 53.96 2k46 n ASP 57 Cb 0.24 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.05 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2k46 h GLN 58 N 0.00 -0.34 -1.01 0.11 -0.00 0.18 0.04 115.11 114.08 2k46 h GLN 58 Ca 0.00 0.02 0.24 0.00 -0.00 0.00 0.00 58.65 58.92 2k46 h GLN 58 Cb 0.08 0.08 -0.10 0.00 0.00 0.00 0.00 27.48 27.54 2k46 h GLN 58 CO 0.00 -0.23 0.64 -0.24 0.00 0.00 0.00 178.83 179.00 2k46 h VAL 59 N -1.02 0.57 0.19 2.39 3.04 -1.30 0.36 116.25 120.49 2k46 h VAL 59 Ca -0.04 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2k46 h VAL 59 Cb 0.27 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 2k46 h VAL 59 CO 0.06 0.09 -0.09 0.25 -1.01 0.00 0.00 177.57 176.87 2k46 h LEU 60 N 0.49 -0.22 0.00 3.16 5.85 -1.57 -2.92 115.31 120.09 2k46 h LEU 60 Ca 0.59 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.31 2k46 h LEU 60 Cb 1.32 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2k46 h LEU 60 CO -0.32 -0.08 0.03 -1.22 -0.34 0.00 0.00 178.44 176.51 2k46 n TYR 61 N -3.15 0.00 0.00 1.25 4.02 -0.00 -4.33 117.16 114.95 2k46 n TYR 61 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2k46 n TYR 61 Cb 0.10 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.01 0.49 -1.52 -0.72 7.27 0.12 -4.53 117.38 117.49 2k46 n GLN 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2k46 n GLN 62 Cb 0.03 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.68 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 -1.25 -4.26 1.69 -2.24 -1.12 -4.55 114.28 102.55 2k46 n THR 63 Ca 0.00 0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 62.15 2k46 n THR 63 Cb 0.00 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k46 s GLU 64 N -1.53 0.98 0.00 -0.78 -1.05 -1.25 -4.05 118.70 111.02 2k46 s GLU 64 Ca 0.00 -1.02 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2k46 s GLU 64 Cb 0.00 -1.10 0.00 0.00 -0.44 0.00 0.00 34.13 32.59 2k46 s GLU 64 CO 0.00 0.26 0.00 0.54 0.95 0.00 0.00 175.26 177.01 2k46 n ARG 65 N 1.29 1.76 0.00 -4.83 5.12 -1.25 -2.91 116.66 115.84 2k46 n ARG 65 Ca -0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2k46 n ARG 65 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 2k46 n ARG 65 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k46 n TYR 66 N 0.00 0.00 -3.65 -1.55 9.36 -1.26 -4.56 117.16 115.50 2k46 n TYR 66 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 2k46 n TYR 66 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 2k46 n TYR 66 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2k46 s ASN 67 N -1.00 -0.00 0.00 2.98 2.47 -1.26 -5.03 114.94 113.10 2k46 s ASN 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 2k46 s ASN 67 Cb 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 2k46 s ASN 67 CO 0.00 -0.00 0.00 1.21 -3.72 0.00 0.00 177.10 174.59 2k46 n GLU 68 N 0.21 0.00 -3.70 0.43 2.13 -1.26 -5.10 120.64 113.35 2k46 n GLU 68 Ca 0.04 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 2k46 n GLU 68 Cb 0.57 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.18 2k46 n GLU 68 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k46 s ASP 69 N 2.00 -0.52 -0.47 4.31 2.15 -1.26 -4.38 116.67 118.50 2k46 s ASP 69 Ca 0.00 0.95 -0.25 0.00 0.43 0.00 0.00 52.55 53.68 2k46 s ASP 69 Cb 0.00 0.91 0.04 0.00 -0.30 0.00 0.00 42.92 43.57 2k46 s ASP 69 CO 0.00 -0.18 0.63 -0.24 -0.17 0.00 0.00 175.17 175.22 2k46 n SER 70 N 3.43 -6.75 -3.71 -0.34 2.88 -1.21 -4.98 113.62 102.94 2k46 n SER 70 Ca -0.17 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.39 2k46 n SER 70 Cb 0.56 -3.60 -0.07 0.00 -0.75 0.00 0.00 64.21 60.35 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 -2.14 -0.20 0.00 0.66 -0.71 -1.11 -4.96 117.98 109.53 2k46 s PHE 71 Ca 0.29 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.33 2k46 s PHE 71 Cb -0.05 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.91 2k46 s PHE 71 CO 0.82 -0.51 0.00 0.41 -1.34 0.00 0.00 175.22 174.60 2k46 n GLY 72 N 0.67 1.77 3.51 1.99 0.00 -1.26 -2.66 105.19 109.22 2k46 n GLY 72 Ca -0.19 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -2.60 2.31 -0.15 1.61 2.02 -0.91 -4.92 117.35 114.71 2k46 s TYR 73 Ca 0.00 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2k46 s TYR 73 Cb 0.00 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2k46 s TYR 73 CO 0.00 0.56 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.85 2k46 s ASP 74 N -3.57 3.49 -0.62 2.29 1.11 -1.26 -2.36 116.67 115.75 2k46 s ASP 74 Ca 0.32 -0.51 0.00 0.00 0.18 0.00 0.00 52.55 52.53 2k46 s ASP 74 Cb 0.02 -1.53 0.16 0.00 1.07 0.00 0.00 42.92 42.63 2k46 s ASP 74 CO 0.15 0.08 0.42 -0.63 1.18 0.00 0.00 175.17 176.37 2k46 s ILE 75 N 0.84 3.34 0.12 0.77 1.09 0.61 -4.91 121.20 123.05 2k46 s ILE 75 Ca -0.05 -3.28 -0.33 0.00 -1.10 0.00 0.00 60.65 55.88 2k46 s ILE 75 Cb -0.15 -3.20 -0.13 0.00 -1.06 0.00 0.00 42.46 37.92 2k46 s ILE 75 CO -0.01 -0.88 1.67 -2.65 -0.10 0.00 0.00 174.94 172.97 2k46 n PRO 76 N 3.12 2.29 -4.35 2.79 -0.02 -1.26 -0.49 135.00 137.08 2k46 n PRO 76 Ca 0.09 0.83 -0.26 0.00 -2.02 0.00 0.00 63.50 62.14 2k46 n PRO 76 Cb 0.36 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.08 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 1.63 2.00 0.00 4.25 1.01 -1.14 -4.91 121.20 124.04 2k46 s ILE 77 Ca 0.81 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2k46 s ILE 77 Cb -0.64 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2k46 s ILE 77 CO 0.39 -0.06 0.00 0.29 0.00 0.00 0.00 174.94 175.56 2k46 n LYS 78 N 0.77 0.00 -4.47 2.79 5.02 -1.26 -4.84 118.16 116.17 2k46 n LYS 78 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 2k46 n LYS 78 Cb 0.54 -0.47 -0.11 0.00 -0.02 0.00 0.00 35.03 34.98 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 1.67 0.36 1.97 2.02 -1.26 -5.15 118.70 118.31 2k46 s GLU 79 Ca 0.00 -1.91 0.07 0.00 0.02 0.00 0.00 54.97 53.15 2k46 s GLU 79 Cb 0.00 -1.08 -0.07 0.00 0.10 0.00 0.00 34.13 33.08 2k46 s GLU 79 CO 0.00 -0.10 -0.00 -1.21 0.02 0.00 0.00 175.26 173.97 2k46 s GLU 80 N -3.81 1.81 0.00 1.61 8.01 -1.26 -5.02 118.70 120.04 2k46 s GLU 80 Ca 0.34 -2.00 0.00 0.00 0.01 0.00 0.00 54.97 53.33 2k46 s GLU 80 Cb 0.08 -1.41 0.00 0.00 -4.31 0.00 0.00 34.13 28.49 2k46 s GLU 80 CO 0.15 -0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.79 2k46 n GLY 81 N -0.83 0.63 3.38 -1.39 0.00 -0.91 -4.91 105.19 101.16 2k46 n GLY 81 Ca -0.04 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -2.00 2.86 -0.19 1.61 2.02 -1.12 -1.69 118.70 120.19 2k46 s GLU 82 Ca 0.00 -1.22 -0.15 0.00 0.02 0.00 0.00 54.97 53.62 2k46 s GLU 82 Cb 0.00 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 2k46 s GLU 82 CO 0.00 -0.86 0.36 0.71 0.02 0.00 0.00 175.26 175.49 2k46 s TYR 83 N 1.59 3.39 -0.31 1.61 1.51 -0.49 -0.11 117.35 124.54 2k46 s TYR 83 Ca 0.03 0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 56.62 2k46 s TYR 83 Cb -0.21 -2.47 0.02 0.00 -0.11 0.00 0.00 41.96 39.19 2k46 s TYR 83 CO 0.07 0.05 0.07 0.08 -1.11 0.00 0.00 175.55 174.71 2k46 s VAL 84 N 1.11 3.79 -0.48 0.71 1.01 -1.01 -0.24 120.40 125.28 2k46 s VAL 84 Ca 0.18 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 2k46 s VAL 84 Cb -0.14 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.29 2k46 s VAL 84 CO 0.07 -0.00 0.43 -0.22 0.00 0.00 0.00 175.10 175.38 2k46 s LEU 85 N 1.45 5.56 -0.09 3.92 2.96 -1.10 -2.67 118.68 128.70 2k46 s LEU 85 Ca 0.01 -1.29 0.01 0.00 -0.22 0.00 0.00 54.13 52.64 2k46 s LEU 85 Cb -0.18 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 2k46 s LEU 85 CO 0.02 -0.68 -0.13 0.54 -1.32 0.00 0.00 176.35 174.78 2k46 s VAL 86 N 1.77 3.15 -0.03 1.68 0.11 -0.97 -1.92 120.40 124.19 2k46 s VAL 86 Ca 0.05 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2k46 s VAL 86 Cb -0.24 -2.28 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2k46 s VAL 86 CO 0.07 0.56 -0.08 -1.48 -3.33 0.00 0.00 175.10 170.84 2k46 s LEU 87 N -0.23 1.73 -0.33 2.54 2.34 -1.08 -1.32 118.68 122.34 2k46 s LEU 87 Ca 0.01 -0.17 -0.11 0.00 0.06 0.00 0.00 54.13 53.93 2k46 s LEU 87 Cb -0.13 -0.50 -0.01 0.00 -0.56 0.00 0.00 46.19 44.99 2k46 s LEU 87 CO 0.03 0.04 0.19 -0.75 -1.06 0.00 0.00 176.35 174.80 2k46 s LYS 88 N 0.29 3.32 -0.08 1.48 2.47 -1.18 -2.52 119.74 123.51 2k46 s LYS 88 Ca -0.04 -0.74 -0.04 0.00 -1.56 0.00 0.00 55.97 53.59 2k46 s LYS 88 Cb -0.09 -3.67 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 2k46 s LYS 88 CO 0.00 -0.46 0.07 -0.06 0.16 0.00 0.00 175.35 175.06 2k46 s PHE 89 N 1.64 3.36 0.27 4.03 0.08 -0.86 -1.01 117.98 125.49 2k46 s PHE 89 Ca 0.05 0.33 -0.15 0.00 0.12 0.00 0.00 56.93 57.28 2k46 s PHE 89 Cb -0.17 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 2k46 s PHE 89 CO 0.08 0.59 0.57 0.00 -0.10 0.00 0.00 175.22 176.36 2k46 s ALA 90 N -1.00 -0.55 0.42 5.36 0.00 -1.15 -1.73 121.76 123.12 2k46 s ALA 90 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2k46 s ALA 90 Cb -0.12 0.99 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2k46 s ALA 90 CO 0.05 -0.92 0.00 0.39 0.00 0.00 0.00 175.76 175.28 2k46 n GLU 91 N -0.42 -2.94 0.00 0.00 -0.58 -1.26 -2.50 120.64 112.94 2k46 n GLU 91 Ca -0.03 2.28 0.00 0.00 -0.42 0.00 0.00 57.16 59.00 2k46 n GLU 91 Cb 0.61 -2.85 0.00 0.00 -0.57 0.00 0.00 31.44 28.62 2k46 n GLU 91 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k46 n VAL 92 N -2.28 0.00 -1.21 2.62 0.31 -1.26 -4.69 118.33 111.82 2k46 n VAL 92 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2k46 n VAL 92 Cb 0.34 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 2k46 n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k46 n TYR 93 N -1.22 0.00 0.00 3.52 9.36 -1.26 -4.55 117.16 123.01 2k46 n TYR 93 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k46 n TYR 93 Cb 0.00 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k46 n PHE 94 N -2.36 0.00 -2.37 2.98 3.72 -1.26 -5.14 117.46 113.03 2k46 n PHE 94 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 2k46 n PHE 94 Cb 0.46 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.38 -3.25 -3.59 4.37 0.00 -1.26 -5.09 120.51 110.31 2k46 n ALA 95 Ca 0.00 1.71 -0.11 0.00 0.00 0.00 0.00 53.44 55.04 2k46 n ALA 95 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 15.94 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 -0.74 0.63 0.09 0.00 2.00 -1.26 -5.15 119.66 115.23 2k46 s GLN 96 Ca -0.19 0.30 0.06 0.00 -2.00 0.00 0.00 55.36 53.53 2k46 s GLN 96 Cb 0.01 0.30 -0.04 0.00 0.80 0.00 0.00 33.01 34.08 2k46 s GLN 96 CO 0.51 -0.16 -0.05 -1.12 -0.50 0.00 0.00 175.29 173.97 2k46 s SER 97 N -0.72 4.74 -0.92 6.67 0.01 -1.26 -4.43 113.70 117.80 2k46 s SER 97 Ca -0.01 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 2k46 s SER 97 Cb -0.02 -1.04 0.05 0.00 0.21 0.00 0.00 66.02 65.22 2k46 s SER 97 CO 0.00 0.18 0.23 1.67 0.41 0.00 0.00 173.24 175.73 2k46 n GLN 98 N 0.65 -2.72 0.00 12.44 -0.06 -1.26 -4.66 117.38 121.76 2k46 n GLN 98 Ca -0.12 0.35 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 2k46 n GLN 98 Cb 0.52 -4.96 0.00 0.00 -4.06 0.00 0.00 30.24 21.75 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 -3.16 0.00 -3.54 3.69 7.27 -1.26 -4.93 117.38 115.44 2k46 n GLN 99 Ca -0.04 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.64 2k46 n GLN 99 Cb 0.54 -0.63 -0.05 0.00 2.41 0.00 0.00 30.24 32.52 2k46 n GLN 99 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2k46 s LYS 100 N -1.53 3.44 0.00 3.69 1.02 -1.26 -4.91 119.74 120.19 2k46 s LYS 100 Ca 0.00 -3.07 0.02 0.00 0.02 0.00 0.00 55.97 52.95 2k46 s LYS 100 Cb 0.00 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 2k46 s LYS 100 CO 0.00 -1.25 -0.03 0.14 -0.92 0.00 0.00 175.35 173.29 2k46 s VAL 101 N -0.97 3.94 0.36 3.17 -7.23 -1.26 -4.16 120.40 114.25 2k46 s VAL 101 Ca 0.26 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2k46 s VAL 101 Cb -0.10 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2k46 s VAL 101 CO -0.10 0.37 0.09 0.49 -0.31 0.00 0.00 175.10 175.65 2k46 n PHE 102 N 1.43 0.32 -4.52 2.82 3.72 -0.76 -3.82 117.46 116.65 2k46 n PHE 102 Ca -0.15 -2.19 -0.22 0.00 -0.05 0.00 0.00 57.45 54.84 2k46 n PHE 102 Cb 0.53 -0.07 -0.14 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.17 1.90 -0.02 4.37 -1.08 -1.12 0.59 116.67 118.13 2k46 s ASP 103 Ca 0.13 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 2k46 s ASP 103 Cb 0.01 -0.16 0.02 0.00 -1.46 0.00 0.00 42.92 41.33 2k46 s ASP 103 CO 0.09 0.11 0.01 -0.69 0.52 0.00 0.00 175.17 175.21 2k46 s VAL 104 N -0.70 0.04 0.05 1.11 1.01 -0.61 -2.20 120.40 119.10 2k46 s VAL 104 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2k46 s VAL 104 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2k46 s VAL 104 CO 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 175.10 175.10 2k46 s ARG 105 N 0.84 0.66 -0.21 2.72 1.70 -0.92 -1.57 118.95 122.17 2k46 s ARG 105 Ca -0.07 -0.84 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 2k46 s ARG 105 Cb -0.11 -0.53 0.03 0.00 -0.57 0.00 0.00 34.95 33.77 2k46 s ARG 105 CO -0.02 0.11 -0.15 0.14 -1.08 0.00 0.00 175.30 174.30 2k46 s VAL 106 N -1.32 2.29 -1.55 4.99 -7.23 0.57 -2.29 120.40 115.87 2k46 s VAL 106 Ca -0.06 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 2k46 s VAL 106 Cb -0.10 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2k46 s VAL 106 CO 0.01 0.38 0.00 -3.20 -0.31 0.00 0.00 175.10 171.99 2k46 n ASN 107 N 4.61 -4.73 0.00 4.85 2.85 0.16 -0.53 115.26 122.46 2k46 n ASN 107 Ca -0.19 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2k46 n ASN 107 Cb 0.48 -4.08 0.00 0.00 1.24 0.00 0.00 39.78 37.43 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k46 n GLY 108 N -0.69 0.85 3.16 8.20 0.00 -1.20 -4.79 105.19 110.72 2k46 n GLY 108 Ca -0.19 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.28 -0.22 1.61 3.76 0.31 -5.03 115.29 117.00 2k46 s HIS 109 Ca 0.00 -1.96 -0.29 0.00 -0.15 0.00 0.00 55.06 52.66 2k46 s HIS 109 Cb 0.00 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2k46 s HIS 109 CO 0.00 -0.82 1.76 0.95 -0.85 0.00 0.00 174.74 175.78 2k46 s THR 110 N 1.23 3.50 -0.15 1.30 -4.23 -1.26 -0.31 115.64 115.71 2k46 s THR 110 Ca -0.05 0.55 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 2k46 s THR 110 Cb -0.20 -3.54 -0.18 0.00 1.34 0.00 0.00 72.50 69.92 2k46 s THR 110 CO -0.02 -0.26 0.04 0.52 -0.54 0.00 0.00 174.62 174.36 2k46 n VAL 111 N 6.72 1.02 -3.58 2.29 0.31 -0.61 -4.83 118.33 119.65 2k46 n VAL 111 Ca 0.21 -0.62 -0.29 0.00 -0.01 0.00 0.00 64.34 63.63 2k46 n VAL 111 Cb 0.45 -0.64 -0.13 0.00 -0.91 0.00 0.00 33.84 32.61 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -2.36 0.65 -0.84 2.52 1.01 -1.15 -5.05 120.40 115.18 2k46 s VAL 112 Ca -0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 61.98 59.92 2k46 s VAL 112 Cb 0.05 -1.47 0.21 0.00 0.00 0.00 0.00 36.38 35.16 2k46 s VAL 112 CO 0.60 -0.91 0.73 -1.59 0.00 0.00 0.00 175.10 173.93 2k46 s LYS 113 N 0.93 3.27 0.00 2.72 -2.85 -1.26 -1.58 119.74 120.97 2k46 s LYS 113 Ca 0.16 -2.92 0.00 0.00 -1.00 0.00 0.00 55.97 52.21 2k46 s LYS 113 Cb -0.23 -4.06 0.00 0.00 -2.06 0.00 0.00 37.83 31.48 2k46 s LYS 113 CO -0.04 -1.24 0.00 -0.40 0.10 0.00 0.00 175.35 173.77 2k46 n ASP 114 N 2.98 0.00 -4.56 0.03 5.75 0.20 -4.94 116.55 116.01 2k46 n ASP 114 Ca 0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.73 2k46 n ASP 114 Cb 0.39 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2k46 s LEU 115 N 0.00 3.04 -0.92 -2.12 0.20 0.39 -4.41 118.68 114.87 2k46 s LEU 115 Ca 0.00 0.09 -0.07 0.00 0.69 0.00 0.00 54.13 54.84 2k46 s LEU 115 Cb 0.00 -2.54 0.23 0.00 -0.43 0.00 0.00 46.19 43.45 2k46 s LEU 115 CO 0.00 -3.39 0.85 -0.62 -0.29 0.00 0.00 176.35 172.90 2k46 s ASP 116 N 10.35 6.54 0.34 3.68 -1.08 -1.26 -1.83 116.67 133.41 2k46 s ASP 116 Ca 0.87 -3.31 0.10 0.00 -0.52 0.00 0.00 52.55 49.69 2k46 s ASP 116 Cb -0.12 -2.08 0.88 0.00 -1.46 0.00 0.00 42.92 40.14 2k46 s ASP 116 CO 0.10 -0.34 1.77 0.40 0.52 0.00 0.00 175.17 177.62 2k46 h ILE 117 N 4.27 0.63 0.22 4.11 2.04 -1.89 -0.01 117.51 126.88 2k46 h ILE 117 Ca 0.13 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2k46 h ILE 117 Cb 0.91 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2k46 h ILE 117 CO 0.86 0.11 -0.11 0.15 0.00 0.00 0.00 178.15 179.17 2k46 h PHE 118 N 0.61 -0.28 0.00 1.37 3.57 -1.83 -2.83 116.94 117.55 2k46 h PHE 118 Ca 0.59 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 62.00 2k46 h PHE 118 Cb 1.12 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2k46 h PHE 118 CO -0.00 0.00 -0.39 0.22 -2.23 0.00 0.00 178.31 175.91 2k46 h ASP 119 N -0.56 0.00 0.62 0.41 1.82 -1.63 0.23 116.42 117.32 2k46 h ASP 119 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2k46 h ASP 119 Cb 0.41 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.43 2k46 h ASP 119 CO 0.05 0.39 -0.30 0.03 -1.61 0.00 0.00 179.24 177.80 2k46 h ARG 120 N 0.00 -0.81 0.01 0.28 2.47 -0.97 -3.39 114.38 111.98 2k46 h ARG 120 Ca -0.00 0.05 -0.39 0.00 -1.26 0.00 0.00 59.98 58.38 2k46 h ARG 120 Cb 0.81 0.18 -0.06 0.00 -1.65 0.00 0.00 29.97 29.25 2k46 h ARG 120 CO 0.05 -0.49 -2.43 1.55 0.56 0.00 0.00 179.97 179.21 2k46 n VAL 121 N -5.36 1.52 0.00 2.04 3.14 -1.08 -5.10 118.33 113.49 2k46 n VAL 121 Ca -0.12 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 2k46 n VAL 121 Cb 0.36 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 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 2.21 0.11 3.38 7.55 0.00 0.80 -5.02 105.19 114.21 2k46 n GLY 122 Ca -0.45 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 2k46 n GLY 122 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k46 n HIS 123 N 0.00 -1.40 -1.52 1.61 1.44 -1.26 -4.64 115.22 109.46 2k46 n HIS 123 Ca 0.00 -0.05 -0.36 0.00 -2.01 0.00 0.00 57.72 55.30 2k46 n HIS 123 Cb 0.00 -1.63 -0.13 0.00 0.12 0.00 0.00 29.99 28.35 2k46 n HIS 123 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k46 n SER 124 N -3.62 0.61 -2.01 4.39 2.88 -1.26 -4.80 113.62 109.82 2k46 n SER 124 Ca 0.02 -0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.31 2k46 n SER 124 Cb 0.57 -1.07 -0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 7.42 0.00 -3.39 2.46 -2.24 -1.26 -4.56 114.28 112.71 2k46 n THR 125 Ca 0.58 -0.78 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 2k46 n THR 125 Cb 0.19 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.96 3.63 0.08 6.98 0.00 -1.26 -4.59 121.76 124.64 2k46 s ALA 126 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2k46 s ALA 126 Cb -0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2k46 s ALA 126 CO 0.09 0.41 -0.07 -1.58 0.00 0.00 0.00 175.76 174.61 2k46 s HIS 127 N -0.95 2.82 -0.03 0.00 2.46 -0.70 -4.93 115.29 113.95 2k46 s HIS 127 Ca 0.26 -0.11 -0.02 0.00 0.47 0.00 0.00 55.06 55.66 2k46 s HIS 127 Cb -0.18 -1.49 0.02 0.00 -0.13 0.00 0.00 32.58 30.81 2k46 s HIS 127 CO 0.16 0.43 0.08 0.16 -2.47 0.00 0.00 174.74 173.09 2k46 s ASP 128 N -2.08 -0.05 -0.19 9.88 1.47 -1.26 -2.03 116.67 122.41 2k46 s ASP 128 Ca 0.22 0.16 -0.01 0.00 1.18 0.00 0.00 52.55 54.09 2k46 s ASP 128 Cb -0.11 0.10 0.05 0.00 -0.34 0.00 0.00 42.92 42.62 2k46 s ASP 128 CO 0.14 -0.08 -0.03 -1.61 0.68 0.00 0.00 175.17 174.27 2k46 s GLU 129 N 0.57 1.25 -0.15 2.11 0.41 -1.05 -5.02 118.70 116.83 2k46 s GLU 129 Ca -0.04 -0.60 -0.07 0.00 -0.41 0.00 0.00 54.97 53.85 2k46 s GLU 129 Cb -0.06 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.09 2k46 s GLU 129 CO -0.02 -0.53 0.10 0.42 -0.49 0.00 0.00 175.26 174.74 2k46 s ILE 130 N 1.64 5.14 -0.43 -1.63 1.01 -1.26 -2.64 121.20 123.04 2k46 s ILE 130 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2k46 s ILE 130 Cb -0.17 -3.27 0.15 0.00 0.01 0.00 0.00 42.46 39.18 2k46 s ILE 130 CO -0.07 0.54 0.28 -0.63 0.00 0.00 0.00 174.94 175.06 2k46 s ILE 131 N -0.38 0.84 0.34 2.92 1.09 -0.81 -5.02 121.20 120.19 2k46 s ILE 131 Ca 0.10 -2.47 -0.29 0.00 -1.10 0.00 0.00 60.65 56.90 2k46 s ILE 131 Cb -0.12 -1.59 -0.11 0.00 -1.06 0.00 0.00 42.46 39.58 2k46 s ILE 131 CO 0.01 -1.03 1.45 -2.84 -0.10 0.00 0.00 174.94 172.43 2k46 s PRO 132 N 0.34 4.19 0.13 2.79 0.02 -1.26 -2.73 135.00 138.47 2k46 s PRO 132 Ca 0.23 2.46 0.05 0.00 0.02 0.00 0.00 61.00 63.76 2k46 s PRO 132 Cb -0.14 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2k46 s PRO 132 CO -0.07 -0.45 -0.13 0.42 -0.33 0.00 0.00 177.00 176.45 2k46 s ILE 133 N -0.89 1.26 -0.25 2.83 1.01 0.67 -4.41 121.20 121.43 2k46 s ILE 133 Ca 0.54 -1.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2k46 s ILE 133 Cb -0.44 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 40.53 2k46 s ILE 133 CO 0.57 -0.49 0.02 -0.94 0.00 0.00 0.00 174.94 174.10 2k46 s SER 134 N -2.59 3.64 -0.20 3.58 1.04 -1.07 -1.39 113.70 116.70 2k46 s SER 134 Ca 0.10 -1.24 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 2k46 s SER 134 Cb -0.03 -0.92 -0.03 0.00 0.10 0.00 0.00 66.02 65.13 2k46 s SER 134 CO 0.02 -0.32 0.05 -0.63 0.98 0.00 0.00 173.24 173.35 2k46 s ILE 135 N 1.58 4.44 -0.05 -1.02 1.01 -0.68 -2.07 121.20 124.40 2k46 s ILE 135 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2k46 s ILE 135 Cb -0.18 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2k46 s ILE 135 CO -0.12 0.42 0.23 -0.54 0.00 0.00 0.00 174.94 174.92 2k46 s LYS 136 N 0.88 0.39 -0.19 2.79 -0.14 -0.78 -2.15 119.74 120.54 2k46 s LYS 136 Ca 0.03 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.71 2k46 s LYS 136 Cb -0.14 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.19 2k46 s LYS 136 CO 0.02 -0.08 0.00 1.63 -0.76 0.00 0.00 175.35 176.17 2k46 n LYS 137 N 2.31 -1.92 -0.24 1.68 5.02 -1.26 -1.15 118.16 122.59 2k46 n LYS 137 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2k46 n LYS 137 Cb 0.57 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 0.82 0.85 3.38 0.72 0.00 -1.26 -5.08 105.19 104.63 2k46 n GLY 138 Ca -0.02 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.53 1.41 -0.18 1.61 1.02 -0.30 -2.52 119.74 120.25 2k46 s LYS 139 Ca 0.00 -1.45 -0.04 0.00 0.02 0.00 0.00 55.97 54.50 2k46 s LYS 139 Cb 0.00 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 2k46 s LYS 139 CO 0.00 0.36 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.60 2k46 s LEU 140 N -2.57 3.26 -0.27 3.17 0.20 0.26 -1.87 118.68 120.87 2k46 s LEU 140 Ca 0.18 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.86 2k46 s LEU 140 Cb -0.08 -1.81 0.06 0.00 -0.43 0.00 0.00 46.19 43.94 2k46 s LEU 140 CO 0.08 0.12 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.62 2k46 s SER 141 N 0.67 4.49 -0.15 3.68 0.15 -0.88 -1.21 113.70 120.46 2k46 s SER 141 Ca -0.01 -1.45 -0.07 0.00 0.70 0.00 0.00 55.95 55.12 2k46 s SER 141 Cb -0.14 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 2k46 s SER 141 CO 0.02 -0.21 0.10 0.54 1.20 0.00 0.00 173.24 174.89 2k46 s VAL 142 N 1.09 5.14 0.00 4.45 0.11 -0.63 -2.60 120.40 127.96 2k46 s VAL 142 Ca -0.07 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2k46 s VAL 142 Cb -0.20 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2k46 s VAL 142 CO -0.05 0.54 0.00 0.00 -3.33 0.00 0.00 175.10 172.26 2k46 n GLN 143 N 2.68 0.00 -2.63 1.54 1.13 -1.26 0.03 117.38 118.87 2k46 n GLN 143 Ca -0.18 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.77 2k46 n GLN 143 Cb 0.54 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.91 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 2.58 2.99 1.08 0.00 -1.26 -5.06 105.19 105.52 2k46 n GLY 144 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.36 0.15 -0.14 1.61 -6.30 0.10 -5.15 118.70 105.61 2k46 s GLU 145 Ca 0.32 0.37 -0.05 0.00 -2.50 0.00 0.00 54.97 53.11 2k46 s GLU 145 Cb 0.42 -0.09 -0.04 0.00 0.00 0.00 0.00 34.13 34.42 2k46 s GLU 145 CO -0.01 -0.13 0.04 0.54 0.02 0.00 0.00 175.26 175.72 2k46 s VAL 146 N 0.90 4.61 0.28 3.70 0.11 -1.26 -1.61 120.40 127.13 2k46 s VAL 146 Ca -0.07 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.74 2k46 s VAL 146 Cb -0.08 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2k46 s VAL 146 CO -0.05 0.54 0.53 -0.55 -3.33 0.00 0.00 175.10 172.24 2k46 s SER 147 N -0.28 0.04 -0.07 3.54 0.15 -0.35 -5.02 113.70 111.70 2k46 s SER 147 Ca 0.07 -0.99 -0.13 0.00 0.70 0.00 0.00 55.95 55.60 2k46 s SER 147 Cb -0.12 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2k46 s SER 147 CO 0.02 -1.23 0.34 0.28 1.20 0.00 0.00 173.24 173.84 2k46 s THR 148 N -3.72 5.20 -0.07 6.45 -1.32 -1.26 -0.57 115.64 120.34 2k46 s THR 148 Ca 0.22 0.66 -0.30 0.00 -1.21 0.00 0.00 61.69 61.06 2k46 s THR 148 Cb -0.02 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 2k46 s THR 148 CO 0.11 0.52 1.02 0.12 -2.21 0.00 0.00 174.62 174.18 2k46 s PHE 149 N -0.55 3.53 -0.41 9.09 5.36 -1.05 -4.62 117.98 129.33 2k46 s PHE 149 Ca 0.20 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 57.79 2k46 s PHE 149 Cb -0.15 -3.19 0.12 0.00 -0.34 0.00 0.00 43.02 39.45 2k46 s PHE 149 CO 0.09 -0.28 0.16 0.99 -1.46 0.00 0.00 175.22 174.72 2k46 s THR 150 N 1.72 1.96 0.00 0.12 2.01 -1.26 -4.86 115.64 115.32 2k46 s THR 150 Ca 0.50 -2.53 0.00 0.00 0.31 0.00 0.00 61.69 59.97 2k46 s THR 150 Cb -0.20 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.90 2k46 s THR 150 CO 0.21 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 2k46 n GLY 151 N 3.85 0.90 3.68 4.40 0.00 -1.26 -4.81 105.19 111.95 2k46 n GLY 151 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 1.69 -0.21 1.61 0.00 -1.26 -2.90 119.74 118.66 2k46 s LYS 152 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 55.97 54.61 2k46 s LYS 152 Cb 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.32 2k46 s LYS 152 CO 0.00 -0.73 0.41 -1.17 0.00 0.00 0.00 175.35 173.85 2k46 s LEU 153 N -3.00 4.13 -0.28 2.77 0.20 0.35 -4.83 118.68 118.02 2k46 s LEU 153 Ca 0.19 0.49 -0.00 0.00 0.69 0.00 0.00 54.13 55.50 2k46 s LEU 153 Cb -0.03 -2.52 0.05 0.00 -0.43 0.00 0.00 46.19 43.27 2k46 s LEU 153 CO 0.09 -0.11 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.45 2k46 s SER 154 N 1.15 4.67 -0.35 3.68 0.15 -1.26 -0.29 113.70 121.46 2k46 s SER 154 Ca 0.19 -1.25 -0.14 0.00 0.70 0.00 0.00 55.95 55.46 2k46 s SER 154 Cb -0.15 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.49 2k46 s SER 154 CO 0.08 -0.22 0.28 -0.69 1.20 0.00 0.00 173.24 173.89 2k46 s VAL 155 N 1.22 5.25 -0.04 4.45 1.01 -0.99 0.37 120.40 131.67 2k46 s VAL 155 Ca -0.05 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2k46 s VAL 155 Cb -0.19 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2k46 s VAL 155 CO -0.03 -0.06 -0.19 -1.61 0.00 0.00 0.00 175.10 173.21 2k46 s GLU 156 N 1.81 1.89 -0.09 2.72 0.41 -0.97 -2.14 118.70 122.33 2k46 s GLU 156 Ca 0.08 -0.69 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 2k46 s GLU 156 Cb -0.17 -1.67 -0.01 0.00 -1.78 0.00 0.00 34.13 30.50 2k46 s GLU 156 CO 0.11 0.32 -0.21 -0.59 -0.49 0.00 0.00 175.26 174.40 2k46 s PHE 157 N -0.13 2.60 -0.03 1.61 -0.71 -1.09 -2.15 117.98 118.08 2k46 s PHE 157 Ca -0.01 -0.83 -0.00 0.00 -1.04 0.00 0.00 56.93 55.05 2k46 s PHE 157 Cb -0.11 -1.71 -0.04 0.00 -1.21 0.00 0.00 43.02 39.95 2k46 s PHE 157 CO 0.02 -0.29 0.03 0.08 -1.34 0.00 0.00 175.22 173.72 2k46 s VAL 158 N 0.17 4.43 0.60 -2.49 1.01 -0.94 -2.75 120.40 120.44 2k46 s VAL 158 Ca -0.12 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2k46 s VAL 158 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2k46 s VAL 158 CO 0.07 0.43 1.32 -1.59 0.00 0.00 0.00 175.10 175.33 2k46 s LYS 159 N -1.44 2.85 0.00 2.72 -2.85 -1.26 -2.80 119.74 116.95 2k46 s LYS 159 Ca 0.19 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.29 2k46 s LYS 159 Cb -0.12 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2k46 s LYS 159 CO 0.09 -1.39 0.04 0.41 0.10 0.00 0.00 175.35 174.61 2k46 n GLY 160 N 0.80 0.78 2.11 0.59 0.00 -1.25 -4.80 105.19 103.42 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 -0.61 -3.34 0.01 1.61 9.36 -1.26 -4.68 117.16 118.25 2k46 n TYR 161 Ca 0.00 0.90 0.00 0.00 3.32 0.00 0.00 57.90 62.12 2k46 n TYR 161 Cb 0.01 2.18 0.00 0.00 -0.63 0.00 0.00 39.34 40.90 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 -3.25 -1.02 -2.52 2.98 9.36 -1.26 -5.07 117.16 116.38 2k46 n TYR 162 Ca 0.00 0.06 -0.40 0.00 3.32 0.00 0.00 57.90 60.88 2k46 n TYR 162 Cb 0.00 0.32 -0.03 0.00 -0.63 0.00 0.00 39.34 39.00 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2k46 s ASP 163 N -1.13 6.39 0.69 2.98 1.01 -1.26 -4.77 116.67 120.58 2k46 s ASP 163 Ca 0.00 -1.33 -0.17 0.00 0.71 0.00 0.00 52.55 51.76 2k46 s ASP 163 Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 2k46 s ASP 163 CO 0.00 -1.61 0.30 0.59 0.21 0.00 0.00 175.17 174.66 2k46 n ASN 164 N 9.27 -2.02 -2.38 0.27 4.13 -1.26 -4.41 115.26 118.85 2k46 n ASN 164 Ca 0.32 0.58 -0.21 0.00 1.68 0.00 0.00 54.58 56.95 2k46 n ASN 164 Cb 0.51 -1.11 -0.08 0.00 -1.54 0.00 0.00 39.78 37.56 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 0.02 0.00 0.00 3.52 -0.02 -1.26 -4.81 135.00 132.45 2k46 n PRO 165 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2k46 n PRO 165 Cb 0.50 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 2k46 n PRO 165 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2k46 n LYS 166 N 4.46 0.00 -2.97 -0.52 0.00 -1.26 -4.50 118.16 113.37 2k46 n LYS 166 Ca 0.35 0.68 -0.40 0.00 -0.00 0.00 0.00 58.31 58.94 2k46 n LYS 166 Cb 0.02 -1.48 -0.04 0.00 -0.00 0.00 0.00 35.03 33.52 2k46 n LYS 166 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2k46 s VAL 167 N -2.92 4.93 -0.08 0.58 1.01 -1.04 -4.01 120.40 118.87 2k46 s VAL 167 Ca 0.00 1.60 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 2k46 s VAL 167 Cb 0.00 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2k46 s VAL 167 CO 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.32 2k46 n ALA 169 N 4.67 5.12 -1.45 0.00 0.00 -0.18 -0.23 120.51 128.43 2k46 n ALA 169 Ca -0.15 -3.62 -0.53 0.00 0.00 0.00 0.00 53.44 49.14 2k46 n ALA 169 Cb 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.83 -0.60 -3.30 0.00 -0.00 0.12 -3.12 117.00 109.27 2k46 n LEU 170 Ca 0.45 1.14 -0.08 0.00 -0.00 0.00 0.00 56.01 57.53 2k46 n LEU 170 Cb 0.90 -0.94 -0.06 0.00 -0.00 0.00 0.00 43.42 43.32 2k46 n LEU 170 CO 0.43 -2.44 -0.05 0.12 -0.00 0.00 0.00 177.39 175.45 2k46 s PHE 171 N -0.52 -1.06 -0.22 1.96 5.36 -0.43 -0.80 117.98 122.27 2k46 s PHE 171 Ca 0.77 0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 57.19 2k46 s PHE 171 Cb -1.09 -0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 2k46 s PHE 171 CO 0.56 -0.94 0.07 -1.50 -1.46 0.00 0.00 175.22 171.96 2k46 s ILE 172 N 2.58 4.51 0.32 3.12 2.07 -0.15 -2.30 121.20 131.34 2k46 s ILE 172 Ca 0.11 -0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.33 2k46 s ILE 172 Cb -0.13 -3.08 -0.05 0.00 0.13 0.00 0.00 42.46 39.33 2k46 s ILE 172 CO -0.27 0.38 -0.05 0.00 -1.91 0.00 0.00 174.94 173.09 2k46 s MET 173 N 1.16 1.98 0.03 3.50 0.00 -1.09 -2.86 119.30 122.02 2k46 s MET 173 Ca 0.04 -1.73 0.09 0.00 0.00 0.00 0.00 55.69 54.09 2k46 s MET 173 Cb -0.14 -1.90 -0.03 0.00 0.00 0.00 0.00 34.83 32.77 2k46 s MET 173 CO 0.03 0.22 -0.26 -1.59 0.00 0.00 0.00 175.02 173.42 2k46 s LYS 174 N -3.65 1.84 0.00 3.16 -2.85 -1.13 -2.42 119.74 114.70 2k46 s LYS 174 Ca 0.33 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2k46 s LYS 174 Cb -0.02 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2k46 s LYS 174 CO 0.18 0.51 0.00 0.41 0.10 0.00 0.00 175.35 176.55 2k46 n GLY 175 N 1.98 2.92 0.00 0.59 0.00 0.84 -4.80 105.19 106.71 2k46 n GLY 175 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.30 2.61 -2.24 0.28 -2.81 114.28 112.41 2k46 n THR 176 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2k46 n THR 176 Cb 0.00 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.69 0.00 6.98 0.00 -1.96 -3.33 119.26 121.65 2k46 h ALA 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k46 h ALA 177 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k46 h ALA 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2k46 h ASP 178 N 0.00 0.00 0.09 0.00 5.19 -1.99 -3.10 116.42 116.62 2k46 h ASP 178 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k46 h ASP 178 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 2k46 h ASP 178 CO 0.00 0.00 -0.05 0.44 -3.12 0.00 0.00 179.24 176.51 2k46 h ASP 179 N 0.00 -0.11 -0.92 6.45 3.32 -1.99 -3.44 116.42 119.73 2k46 h ASP 179 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.49 2k46 h ASP 179 Cb 0.13 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2k46 h ASP 179 CO 0.00 0.32 1.57 0.55 -1.72 0.00 0.00 179.24 179.96 2k46 n VAL 180 N -4.55 0.05 -1.45 -1.35 3.14 -1.17 -4.81 118.33 108.19 2k46 n VAL 180 Ca -0.02 -0.34 -0.51 0.00 -2.96 0.00 0.00 64.34 60.52 2k46 n VAL 180 Cb 0.05 -1.64 -0.07 0.00 -1.06 0.00 0.00 33.84 31.12 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k46 n PRO 181 N 8.49 1.10 -4.26 1.45 -0.02 -1.26 -4.93 135.00 135.57 2k46 n PRO 181 Ca 0.47 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 62.11 2k46 n PRO 181 Cb 0.26 -2.47 -0.10 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 6.17 1.13 -0.14 -0.52 0.23 -1.26 -5.13 119.30 119.78 2k46 s MET 182 Ca 1.09 -1.52 -0.25 0.00 -1.03 0.00 0.00 55.69 53.98 2k46 s MET 182 Cb -0.85 -0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 31.93 2k46 s MET 182 CO 0.49 -0.03 0.79 -0.51 -2.03 0.00 0.00 175.02 173.73 2k46 s LEU 183 N -3.20 4.22 0.64 0.18 1.02 -1.26 -5.03 118.68 115.24 2k46 s LEU 183 Ca 0.21 1.18 -0.18 0.00 0.02 0.00 0.00 54.13 55.37 2k46 s LEU 183 Cb 0.05 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 43.04 2k46 s LEU 183 CO 0.03 -0.31 1.09 0.00 0.02 0.00 0.00 176.35 177.18 2k46 n GLN 184 N 4.79 0.92 -1.86 1.70 6.02 -1.26 -4.88 117.38 122.82 2k46 n GLN 184 Ca 0.03 0.37 -0.42 0.00 -0.01 0.00 0.00 57.00 56.96 2k46 n GLN 184 Cb 0.50 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.41 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k46 s PRO 185 N -3.07 4.18 -0.02 -1.09 0.04 -1.26 -5.01 135.00 128.77 2k46 s PRO 185 Ca 0.79 2.42 0.02 0.00 0.04 0.00 0.00 61.00 64.26 2k46 s PRO 185 Cb -0.39 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.62 2k46 s PRO 185 CO 0.44 -0.75 -0.06 -1.58 0.04 0.00 0.00 177.00 175.09 2k46 s HIS 186 N 2.48 0.67 -2.00 0.56 2.46 -1.26 -5.02 115.29 113.18 2k46 s HIS 186 Ca 0.76 -0.15 0.12 0.00 0.47 0.00 0.00 55.06 56.26 2k46 s HIS 186 Cb -0.42 -0.51 0.72 0.00 -0.13 0.00 0.00 32.58 32.24 2k46 s HIS 186 CO 0.33 -0.08 1.31 -0.35 -2.47 0.00 0.00 174.74 173.49 2k46 n PRO 187 N 3.37 0.81 -1.58 2.88 -0.04 -1.26 -4.89 135.00 134.28 2k46 n PRO 187 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2k46 n PRO 187 Cb 0.55 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.45 -0.41 3.64 0.55 0.00 -1.26 -4.88 105.19 103.28 2k46 n GLY 188 Ca 0.09 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 2k46 n GLY 188 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k46 n LEU 189 N 1.00 3.93 0.00 0.99 -0.00 -1.26 -5.27 117.00 116.38 2k46 n LEU 189 Ca 0.10 0.86 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 2k46 n LEU 189 Cb 0.35 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 2k46 n LEU 189 CO 0.58 -1.59 0.14 1.21 -0.00 0.00 0.00 177.39 177.73