#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 -2.82 0.03 4.61 0.00 -1.26 -5.06 121.76 117.26 2k46 s ALA 2 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2k46 s ALA 2 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2k46 s ALA 2 CO 0.00 -1.41 0.00 -0.12 0.00 0.00 0.00 175.76 174.23 2k46 n MET 3 N 5.45 0.00 -0.67 0.00 0.00 -1.26 -5.07 117.12 115.57 2k46 n MET 3 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.35 2k46 n MET 3 Cb 0.52 -0.49 0.17 0.00 0.00 0.00 0.00 33.22 33.43 2k46 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2k46 n SER 4 N -3.12 -0.34 -1.24 6.12 7.64 -1.26 -4.97 113.62 116.45 2k46 n SER 4 Ca 0.00 0.33 -0.03 0.00 1.01 0.00 0.00 58.87 60.18 2k46 n SER 4 Cb 0.37 -1.40 0.13 0.00 -1.01 0.00 0.00 64.21 62.29 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k46 n GLY 5 N 0.59 4.84 0.10 0.23 0.00 -1.26 -4.75 105.19 104.93 2k46 n GLY 5 Ca 0.10 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 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 1.43 0.28 -2.42 0.99 5.85 -1.90 -3.26 115.31 116.28 2k46 h LEU 6 Ca 0.07 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.86 2k46 h LEU 6 Cb 1.27 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k46 h LEU 6 CO 0.24 1.29 0.19 0.00 -0.34 0.00 0.00 178.44 179.82 2k46 h ALA 7 N 0.01 1.22 0.00 1.25 0.00 -1.80 -0.16 119.26 119.78 2k46 h ALA 7 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k46 h ALA 7 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k46 h ALA 7 CO 0.07 -0.20 0.00 0.22 0.00 0.00 0.00 179.25 179.35 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.90 -3.24 116.42 114.86 2k46 h ASP 8 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k46 h ASP 8 Cb 0.38 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k46 h ASP 8 CO -0.00 0.00 -1.45 0.29 -2.88 0.00 0.00 179.24 175.20 2k46 n LYS 9 N -2.63 0.63 -1.38 0.28 5.02 -0.10 -5.03 118.16 114.94 2k46 n LYS 9 Ca 0.03 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 2k46 n LYS 9 Cb 0.35 -1.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.89 1.23 0.00 -0.18 3.14 -1.01 -2.83 118.33 116.78 2k46 n VAL 10 Ca -0.04 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 2k46 n VAL 10 Cb 0.32 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.14 0.00 -3.65 1.55 -5.35 -1.18 -4.84 119.36 104.76 2k46 n ILE 11 Ca 0.11 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.56 2k46 n ILE 11 Cb 0.42 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.30 -0.33 -0.10 4.28 -0.00 -1.13 -5.09 118.94 116.26 2k46 s TRP 12 Ca 0.00 0.72 -0.17 0.00 -0.00 0.00 0.00 56.10 56.65 2k46 s TRP 12 Cb 0.00 0.31 0.04 0.00 -0.00 0.00 0.00 33.47 33.82 2k46 s TRP 12 CO 0.00 -0.16 0.43 0.00 -0.00 0.00 0.00 176.95 177.21 2k46 s ALA 13 N 0.76 -1.07 -0.12 5.86 0.00 -1.26 -0.98 121.76 124.96 2k46 s ALA 13 Ca -0.03 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 2k46 s ALA 13 Cb -0.04 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.75 2k46 s ALA 13 CO -0.12 -0.24 0.26 0.08 0.00 0.00 0.00 175.76 175.74 2k46 s VAL 14 N -0.43 -0.16 -0.41 0.00 1.01 0.47 -2.14 120.40 118.73 2k46 s VAL 14 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2k46 s VAL 14 Cb -0.03 -0.42 0.11 0.00 0.00 0.00 0.00 36.38 36.04 2k46 s VAL 14 CO 0.03 0.08 0.19 0.21 0.00 0.00 0.00 175.10 175.60 2k46 s ASN 15 N 1.65 5.09 -0.34 3.32 2.47 -1.26 0.42 114.94 126.29 2k46 s ASN 15 Ca -0.06 -2.17 -0.28 0.00 0.42 0.00 0.00 52.86 50.77 2k46 s ASN 15 Cb -0.11 -1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 37.90 2k46 s ASN 15 CO -0.09 -0.48 1.81 0.00 -3.72 0.00 0.00 177.10 174.63 2k46 s ALA 16 N 0.92 2.83 0.00 1.71 0.00 0.39 -3.02 121.76 124.59 2k46 s ALA 16 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2k46 s ALA 16 Cb -0.22 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2k46 s ALA 16 CO -0.05 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.42 2k46 n GLY 17 N 5.44 3.03 0.00 0.00 0.00 -1.26 -3.08 105.19 109.33 2k46 n GLY 17 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.97 3.56 -0.02 0.00 -1.17 -3.77 105.19 105.76 2k46 n GLY 18 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 4.98 0.50 0.00 1.61 2.12 -1.26 -4.18 118.70 122.47 2k46 s GLU 19 Ca 0.00 1.24 0.00 0.00 0.36 0.00 0.00 54.97 56.57 2k46 s GLU 19 Cb 0.00 0.74 0.00 0.00 0.26 0.00 0.00 34.13 35.13 2k46 s GLU 19 CO 0.00 -0.20 0.00 -1.13 -0.54 0.00 0.00 175.26 173.39 2k46 n SER 20 N 5.33 -4.34 -4.23 -1.70 3.41 -1.24 -4.87 113.62 105.99 2k46 n SER 20 Ca -0.11 0.27 -0.20 0.00 -0.26 0.00 0.00 58.87 58.57 2k46 n SER 20 Cb 0.50 -1.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.30 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k46 s HIS 21 N -0.64 1.47 -0.26 7.33 2.46 -0.98 -4.92 115.29 119.74 2k46 s HIS 21 Ca 0.00 -0.46 0.03 0.00 0.47 0.00 0.00 55.06 55.10 2k46 s HIS 21 Cb 0.00 -0.80 0.06 0.00 -0.13 0.00 0.00 32.58 31.71 2k46 s HIS 21 CO 0.00 0.13 -0.10 0.54 -2.47 0.00 0.00 174.74 172.84 2k46 s VAL 22 N -1.38 2.10 0.69 0.89 0.11 -1.26 -0.25 120.40 121.31 2k46 s VAL 22 Ca 0.03 -1.60 -0.14 0.00 -2.93 0.00 0.00 61.98 57.34 2k46 s VAL 22 Cb -0.09 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.55 2k46 s VAL 22 CO 0.03 -0.04 1.12 -0.62 -3.33 0.00 0.00 175.10 172.27 2k46 s ASP 23 N 1.13 4.82 0.22 3.54 -1.08 -0.31 -4.82 116.67 120.17 2k46 s ASP 23 Ca -0.09 2.04 -0.15 0.00 -0.52 0.00 0.00 52.55 53.83 2k46 s ASP 23 Cb -0.20 -2.55 0.25 0.00 -1.46 0.00 0.00 42.92 38.96 2k46 s ASP 23 CO -0.05 -1.83 1.58 -0.37 0.52 0.00 0.00 175.17 175.03 2k46 h VAL 24 N -0.21 0.15 -0.01 1.11 -1.51 -1.94 0.94 116.25 114.78 2k46 h VAL 24 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2k46 h VAL 24 Cb 1.25 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2k46 h VAL 24 CO 0.53 0.00 0.16 0.45 -1.23 0.00 0.00 177.57 177.47 2k46 h HIS 25 N -0.06 0.00 0.00 5.19 3.86 -2.02 -3.44 115.15 118.69 2k46 h HIS 25 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2k46 h HIS 25 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k46 h HIS 25 CO -0.68 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.52 2k46 n GLY 26 N -1.16 1.52 3.38 2.45 0.00 0.32 -3.90 105.19 107.81 2k46 n GLY 26 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.71 -0.11 -0.61 -1.09 -1.10 -4.54 121.20 116.47 2k46 s ILE 27 Ca 0.00 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.43 2k46 s ILE 27 Cb 0.00 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2k46 s ILE 27 CO 0.00 -0.29 0.26 -2.28 -1.23 0.00 0.00 174.94 171.40 2k46 s HIS 28 N 1.57 3.57 -0.15 3.97 5.65 -1.26 -1.17 115.29 127.48 2k46 s HIS 28 Ca 0.03 0.66 -0.07 0.00 0.25 0.00 0.00 55.06 55.92 2k46 s HIS 28 Cb -0.20 -2.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.97 2k46 s HIS 28 CO 0.07 0.49 0.09 -0.47 -0.65 0.00 0.00 174.74 174.28 2k46 s TYR 29 N -0.38 3.39 -0.39 3.88 5.04 0.66 -4.02 117.35 125.53 2k46 s TYR 29 Ca 0.17 0.30 -0.17 0.00 -2.44 0.00 0.00 57.07 54.93 2k46 s TYR 29 Cb -0.13 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.18 2k46 s TYR 29 CO 0.06 0.43 0.46 -0.98 -1.34 0.00 0.00 175.55 174.19 2k46 s ARG 30 N -0.31 3.35 0.00 4.97 1.70 -0.91 -2.31 118.95 125.44 2k46 s ARG 30 Ca 0.10 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2k46 s ARG 30 Cb -0.12 -3.89 0.00 0.00 -0.57 0.00 0.00 34.95 30.37 2k46 s ARG 30 CO 0.01 -0.75 0.00 1.17 -1.08 0.00 0.00 175.30 174.66 2k46 n LYS 31 N 5.66 0.00 0.00 3.89 4.81 -1.26 -3.99 118.16 127.28 2k46 n LYS 31 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 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 -0.66 3.14 5.75 -1.26 -4.76 116.55 118.76 2k46 n ASP 32 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 2k46 n ASP 32 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.66 0.00 0.11 -0.04 -1.26 -4.09 135.00 131.39 2k46 n PRO 33 Ca 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2k46 n PRO 33 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k46 n LEU 34 N 0.49 0.00 -3.72 1.53 -0.00 -1.26 -4.38 117.00 109.66 2k46 n LEU 34 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.71 2k46 n LEU 34 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2k46 n LEU 34 CO 0.22 0.00 2.69 1.21 -0.00 0.00 0.00 177.39 181.51 2k46 n GLU 35 N -1.34 2.83 -0.78 1.47 2.13 -1.26 -4.07 120.64 119.62 2k46 n GLU 35 Ca 0.00 -2.57 0.00 0.00 0.66 0.00 0.00 57.16 55.25 2k46 n GLU 35 Cb 0.17 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 28.61 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k46 n GLY 36 N 4.10 0.99 1.87 8.31 0.00 -1.26 -3.78 105.19 115.41 2k46 n GLY 36 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.91 -3.73 1.61 0.00 -1.26 -4.86 116.66 104.52 2k46 n ARG 37 Ca 0.00 0.20 -0.12 0.00 -0.00 0.00 0.00 57.85 57.93 2k46 n ARG 37 Cb 0.00 -4.49 -0.11 0.00 -0.00 0.00 0.00 32.46 27.86 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k46 s VAL 38 N -1.73 -0.02 -2.61 8.89 0.11 -1.25 -4.91 120.40 118.88 2k46 s VAL 38 Ca 0.00 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2k46 s VAL 38 Cb 0.00 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2k46 s VAL 38 CO 0.00 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2k46 n GLY 39 N 3.56 0.76 3.21 6.54 0.00 -1.26 -5.01 105.19 112.99 2k46 n GLY 39 Ca -0.18 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 2k46 n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k46 s ARG 40 N -1.05 0.70 -0.26 1.61 3.52 -1.26 -4.98 118.95 117.24 2k46 s ARG 40 Ca 0.00 -0.45 -0.39 0.00 -0.13 0.00 0.00 55.73 54.76 2k46 s ARG 40 Cb 0.00 0.30 -0.15 0.00 -1.56 0.00 0.00 34.95 33.54 2k46 s ARG 40 CO 0.00 -0.21 1.81 0.00 -0.81 0.00 0.00 175.30 176.09 2k46 n ALA 41 N 0.88 0.09 0.26 6.12 0.00 -1.26 -4.82 120.51 121.79 2k46 n ALA 41 Ca -0.20 0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.72 2k46 n ALA 41 Cb 0.58 -2.29 0.63 0.00 0.00 0.00 0.00 19.45 18.36 2k46 n ALA 41 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k46 h SER 42 N 7.95 0.00 -6.91 0.00 0.87 -1.83 -3.47 113.55 110.17 2k46 h SER 42 Ca -0.45 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.58 2k46 h SER 42 Cb 1.31 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.16 2k46 h SER 42 CO 0.97 0.09 -0.86 -0.90 -0.53 0.00 0.00 176.83 175.60 2k46 n ASP 43 N -3.24 -1.06 -0.00 6.23 5.75 -1.26 -4.83 116.55 118.14 2k46 n ASP 43 Ca 0.00 -1.12 -0.05 0.00 -0.01 0.00 0.00 54.79 53.61 2k46 n ASP 43 Cb 0.33 -1.37 -0.12 0.00 -1.03 0.00 0.00 41.12 38.94 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N -4.29 0.97 -1.41 2.11 9.36 -1.26 -4.20 117.16 118.44 2k46 n TYR 44 Ca -0.20 0.34 0.01 0.00 3.32 0.00 0.00 57.90 61.37 2k46 n TYR 44 Cb 0.55 -1.14 0.20 0.00 -0.63 0.00 0.00 39.34 38.33 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 1.49 4.88 0.34 2.98 0.00 -1.26 -4.68 105.19 108.94 2k46 n GLY 45 Ca -0.14 -1.22 0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 0.99 0.00 -7.18 1.61 -1.53 -1.96 -3.43 114.93 103.43 2k46 h MET 46 Ca 0.12 0.00 -0.46 0.00 -3.44 0.00 0.00 59.70 55.92 2k46 h MET 46 Cb 1.40 0.00 0.21 0.00 -0.55 0.00 0.00 31.60 32.65 2k46 h MET 46 CO 0.23 0.00 0.07 0.21 0.14 0.00 0.00 176.91 177.56 2k46 s LYS 47 N -4.83 -0.42 -0.49 0.39 2.20 -1.26 -4.40 119.74 110.93 2k46 s LYS 47 Ca -0.05 1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 56.54 2k46 s LYS 47 Cb 0.17 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 2k46 s LYS 47 CO 0.63 -3.43 0.44 -0.11 -0.36 0.00 0.00 175.35 172.52 2k46 n LEU 48 N -4.73 -4.26 -4.67 5.43 -0.00 -1.26 -4.92 117.00 102.59 2k46 n LEU 48 Ca 0.05 -0.23 -0.48 0.00 -0.00 0.00 0.00 56.01 55.36 2k46 n LEU 48 Cb 0.54 -2.10 -0.05 0.00 -0.00 0.00 0.00 43.42 41.81 2k46 n LEU 48 CO 0.55 -0.25 1.32 -2.65 -0.00 0.00 0.00 177.39 176.37 2k46 n PRO 49 N -1.97 2.08 -1.71 1.96 -0.02 -1.26 -4.90 135.00 129.18 2k46 n PRO 49 Ca -0.02 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 2k46 n PRO 49 Cb 0.54 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 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 4.20 1.31 -0.05 4.25 5.41 -1.26 -4.89 119.36 128.32 2k46 n ILE 50 Ca 0.20 -0.33 -0.14 0.00 1.00 0.00 0.00 62.75 63.48 2k46 n ILE 50 Cb 0.28 -1.70 -0.12 0.00 -0.71 0.00 0.00 39.64 37.39 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 3.91 0.00 -2.71 1.39 3.38 -1.90 -3.32 115.31 116.06 2k46 h LEU 51 Ca -0.46 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.65 2k46 h LEU 51 Cb 1.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k46 h LEU 51 CO 0.73 0.86 0.00 0.54 0.09 0.00 0.00 178.44 180.66 2k46 n ARG 52 N -4.67 0.89 -3.72 1.13 3.00 -1.26 -4.72 116.66 107.30 2k46 n ARG 52 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.63 2k46 n ARG 52 Cb 0.42 -1.05 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 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 1.64 -0.43 0.57 0.55 0.15 -1.25 -4.87 113.70 110.06 2k46 s SER 53 Ca 0.00 0.79 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 2k46 s SER 53 Cb 0.00 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2k46 s SER 53 CO 0.00 -0.16 1.26 0.21 1.20 0.00 0.00 173.24 175.75 2k46 s ASN 54 N 0.82 5.25 0.31 5.45 2.47 -1.26 -4.56 114.94 123.41 2k46 s ASN 54 Ca -0.05 2.53 0.12 0.00 0.42 0.00 0.00 52.86 55.88 2k46 s ASN 54 Cb -0.06 -2.61 1.00 0.00 -1.45 0.00 0.00 41.25 38.13 2k46 s ASN 54 CO -0.06 -1.57 1.41 -2.65 -3.72 0.00 0.00 177.10 170.51 2k46 n PRO 55 N -1.32 -0.06 0.02 0.43 -0.02 -1.26 0.10 135.00 132.90 2k46 n PRO 55 Ca 0.12 1.28 -0.08 0.00 -2.02 0.00 0.00 63.50 62.80 2k46 n PRO 55 Cb 0.48 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2k46 n PRO 55 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k46 h GLU 56 N 0.00 -0.16 0.00 -0.52 4.39 -1.99 -2.92 114.58 113.39 2k46 h GLU 56 Ca 0.67 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.38 2k46 h GLU 56 Cb 1.66 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2k46 h GLU 56 CO -0.75 0.22 0.00 -0.40 -1.16 0.00 0.00 179.01 176.92 2k46 n ASP 57 N -4.86 0.00 0.02 1.42 5.75 -0.72 -2.64 116.55 115.53 2k46 n ASP 57 Ca -0.06 -0.52 -0.02 0.00 -0.01 0.00 0.00 54.79 54.17 2k46 n ASP 57 Cb 0.23 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2k46 h GLN 58 N 0.00 -0.15 -1.01 0.11 4.15 0.84 -0.67 115.11 118.38 2k46 h GLN 58 Ca 0.00 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.66 2k46 h GLN 58 Cb 0.01 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 27.63 2k46 h GLN 58 CO 0.00 -0.10 0.62 -0.24 -1.93 0.00 0.00 178.83 177.17 2k46 h VAL 59 N -0.94 0.59 0.23 2.39 3.04 -1.32 0.40 116.25 120.65 2k46 h VAL 59 Ca -0.02 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 2k46 h VAL 59 Cb 0.12 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.35 2k46 h VAL 59 CO 0.03 0.11 -0.11 0.25 -1.01 0.00 0.00 177.57 176.84 2k46 h LEU 60 N 0.60 -0.26 0.00 3.16 5.85 -1.61 -2.82 115.31 120.23 2k46 h LEU 60 Ca 0.61 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.34 2k46 h LEU 60 Cb 1.17 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k46 h LEU 60 CO -0.40 -0.13 0.11 -1.22 -0.34 0.00 0.00 178.44 176.46 2k46 n TYR 61 N -3.13 0.00 0.00 1.25 4.02 -0.26 -4.38 117.16 114.66 2k46 n TYR 61 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2k46 n TYR 61 Cb 0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.20 0.19 -1.03 -0.72 7.27 0.14 -4.67 117.38 117.37 2k46 n GLN 62 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 2k46 n GLN 62 Cb 0.11 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.72 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 -0.64 -3.88 1.69 -2.24 -1.11 -4.63 114.28 103.47 2k46 n THR 63 Ca 0.00 0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 62.19 2k46 n THR 63 Cb 0.00 -0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 67.31 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 -4.70 0.18 -0.02 -0.78 4.04 -1.25 -4.46 118.70 111.73 2k46 s GLU 64 Ca 0.00 -0.14 0.01 0.00 0.04 0.00 0.00 54.97 54.88 2k46 s GLU 64 Cb 0.00 0.07 0.01 0.00 0.02 0.00 0.00 34.13 34.23 2k46 s GLU 64 CO 0.00 -0.03 -0.03 1.03 -1.84 0.00 0.00 175.26 174.38 2k46 s ARG 65 N -0.51 0.43 -0.10 -4.83 0.52 -1.19 -4.21 118.95 109.06 2k46 s ARG 65 Ca -0.06 -0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2k46 s ARG 65 Cb -0.04 -0.47 -0.01 0.00 0.52 0.00 0.00 34.95 34.95 2k46 s ARG 65 CO 0.00 0.01 -0.18 -0.47 0.02 0.00 0.00 175.30 174.68 2k46 s TYR 66 N 0.35 2.68 0.00 -0.53 5.04 -1.26 -4.82 117.35 118.81 2k46 s TYR 66 Ca -0.04 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 2k46 s TYR 66 Cb -0.07 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.49 2k46 s TYR 66 CO -0.00 -0.23 0.00 -1.71 -1.34 0.00 0.00 175.55 172.27 2k46 n ASN 67 N 3.32 0.00 0.00 4.32 5.15 -1.26 -5.09 115.26 121.70 2k46 n ASN 67 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2k46 n ASN 67 Cb 0.53 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k46 n GLU 68 N -1.90 0.00 -3.63 1.20 2.13 -1.26 -5.14 120.64 112.04 2k46 n GLU 68 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2k46 n GLU 68 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k46 s ASP 69 N 0.00 -0.14 -0.58 4.31 1.47 -1.26 -4.82 116.67 115.65 2k46 s ASP 69 Ca 0.00 0.22 -0.20 0.00 1.18 0.00 0.00 52.55 53.75 2k46 s ASP 69 Cb 0.00 0.20 0.03 0.00 -0.34 0.00 0.00 42.92 42.81 2k46 s ASP 69 CO 0.00 -0.09 0.64 -0.24 0.68 0.00 0.00 175.17 176.16 2k46 n SER 70 N 1.15 -6.05 -4.81 2.11 2.88 -1.24 -4.91 113.62 102.75 2k46 n SER 70 Ca -0.07 -0.24 -0.35 0.00 -1.33 0.00 0.00 58.87 56.88 2k46 n SER 70 Cb 0.58 -2.78 -0.06 0.00 -0.75 0.00 0.00 64.21 61.19 2k46 n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k46 s PHE 71 N -2.28 3.57 -0.03 0.66 0.40 -1.07 -4.90 117.98 114.34 2k46 s PHE 71 Ca 0.21 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 2k46 s PHE 71 Cb -0.03 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.79 2k46 s PHE 71 CO 0.85 0.19 0.01 0.20 0.70 0.00 0.00 175.22 177.16 2k46 s GLY 72 N -1.82 0.22 0.03 4.36 0.00 -1.26 -2.45 107.32 106.40 2k46 s GLY 72 Ca 0.50 0.18 0.03 0.00 0.00 0.00 0.00 44.72 45.43 2k46 s GLY 72 CO 0.20 0.64 -0.01 -0.19 0.00 0.00 0.00 173.10 173.74 2k46 s TYR 73 N 1.07 3.01 -0.10 1.90 1.51 -1.02 -4.92 117.35 118.80 2k46 s TYR 73 Ca -0.09 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 2k46 s TYR 73 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 2k46 s TYR 73 CO -0.02 0.45 -0.24 0.16 -1.11 0.00 0.00 175.55 174.80 2k46 s ASP 74 N -1.81 3.05 -0.52 2.29 1.47 -1.26 -2.29 116.67 117.59 2k46 s ASP 74 Ca 0.21 -0.55 0.04 0.00 1.18 0.00 0.00 52.55 53.42 2k46 s ASP 74 Cb -0.11 -1.39 0.14 0.00 -0.34 0.00 0.00 42.92 41.21 2k46 s ASP 74 CO 0.13 0.15 0.30 -0.63 0.68 0.00 0.00 175.17 175.80 2k46 s ILE 75 N 0.38 2.12 0.12 2.11 1.09 0.54 -4.93 121.20 122.62 2k46 s ILE 75 Ca -0.18 -3.22 -0.33 0.00 -1.10 0.00 0.00 60.65 55.82 2k46 s ILE 75 Cb -0.18 -2.45 -0.13 0.00 -1.06 0.00 0.00 42.46 38.64 2k46 s ILE 75 CO 0.08 -0.90 1.68 -2.65 -0.10 0.00 0.00 174.94 173.05 2k46 n PRO 76 N 3.01 2.31 -4.35 2.79 -0.02 -1.26 -0.46 135.00 137.02 2k46 n PRO 76 Ca 0.11 0.84 -0.26 0.00 -2.02 0.00 0.00 63.50 62.17 2k46 n PRO 76 Cb 0.34 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.06 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 1.71 2.03 0.00 4.25 1.01 -1.13 -4.91 121.20 124.17 2k46 s ILE 77 Ca 0.81 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2k46 s ILE 77 Cb -0.64 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2k46 s ILE 77 CO 0.39 -0.07 0.19 0.29 0.00 0.00 0.00 174.94 175.75 2k46 n LYS 78 N 0.73 0.00 -4.45 2.79 5.02 -1.26 -4.83 118.16 116.16 2k46 n LYS 78 Ca -0.17 -0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 55.72 2k46 n LYS 78 Cb 0.54 -0.41 -0.10 0.00 -0.02 0.00 0.00 35.03 35.04 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 1.65 0.39 1.97 0.41 -1.26 -5.15 118.70 116.71 2k46 s GLU 79 Ca 0.00 -1.92 0.04 0.00 -0.41 0.00 0.00 54.97 52.68 2k46 s GLU 79 Cb 0.00 -0.83 -0.06 0.00 -1.78 0.00 0.00 34.13 31.46 2k46 s GLU 79 CO 0.00 -0.20 0.04 -1.21 -0.49 0.00 0.00 175.26 173.40 2k46 s GLU 80 N -3.89 1.88 0.00 1.61 8.01 -1.26 -5.01 118.70 120.03 2k46 s GLU 80 Ca 0.36 -2.09 0.00 0.00 0.01 0.00 0.00 54.97 53.25 2k46 s GLU 80 Cb 0.08 -1.20 0.00 0.00 -4.31 0.00 0.00 34.13 28.70 2k46 s GLU 80 CO 0.15 -0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.63 2k46 n GLY 81 N -0.90 0.77 3.45 -1.39 0.00 -0.74 -4.87 105.19 101.52 2k46 n GLY 81 Ca -0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.60 3.03 -0.20 1.61 2.02 -1.14 -1.86 118.70 120.58 2k46 s GLU 82 Ca 0.00 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 2k46 s GLU 82 Cb 0.00 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 2k46 s GLU 82 CO 0.00 -0.89 0.37 0.71 0.02 0.00 0.00 175.26 175.47 2k46 s TYR 83 N 1.94 3.38 -0.25 1.61 1.51 -0.50 -0.03 117.35 125.01 2k46 s TYR 83 Ca 0.08 0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 56.70 2k46 s TYR 83 Cb -0.19 -2.48 0.02 0.00 -0.11 0.00 0.00 41.96 39.19 2k46 s TYR 83 CO 0.11 0.03 -0.03 0.08 -1.11 0.00 0.00 175.55 174.63 2k46 s VAL 84 N 1.16 3.17 -0.50 0.71 1.01 -1.04 -0.17 120.40 124.75 2k46 s VAL 84 Ca 0.18 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 2k46 s VAL 84 Cb -0.14 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.73 2k46 s VAL 84 CO 0.07 0.23 0.54 -0.22 0.00 0.00 0.00 175.10 175.72 2k46 s LEU 85 N 1.39 5.24 -0.13 3.92 0.20 -1.09 -2.69 118.68 125.53 2k46 s LEU 85 Ca 0.02 -1.10 -0.02 0.00 0.69 0.00 0.00 54.13 53.73 2k46 s LEU 85 Cb -0.16 -2.34 -0.02 0.00 -0.43 0.00 0.00 46.19 43.24 2k46 s LEU 85 CO -0.03 -0.80 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.46 2k46 s VAL 86 N 2.24 3.61 -0.00 1.68 1.01 -0.48 -2.28 120.40 126.18 2k46 s VAL 86 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2k46 s VAL 86 Cb -0.21 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 2k46 s VAL 86 CO 0.10 0.53 0.06 -1.48 0.00 0.00 0.00 175.10 174.30 2k46 s LEU 87 N 0.06 1.85 -0.29 3.92 0.05 -1.12 -1.35 118.68 121.79 2k46 s LEU 87 Ca -0.02 -0.17 -0.08 0.00 0.05 0.00 0.00 54.13 53.91 2k46 s LEU 87 Cb -0.14 0.32 -0.01 0.00 -2.05 0.00 0.00 46.19 44.32 2k46 s LEU 87 CO 0.03 -0.22 0.12 -0.75 -0.55 0.00 0.00 176.35 174.98 2k46 s LYS 88 N -0.87 3.37 -0.04 1.48 2.47 -1.18 -2.52 119.74 122.45 2k46 s LYS 88 Ca -0.10 -0.69 -0.01 0.00 -1.56 0.00 0.00 55.97 53.61 2k46 s LYS 88 Cb -0.06 -3.47 -0.04 0.00 -1.46 0.00 0.00 37.83 32.81 2k46 s LYS 88 CO 0.00 -0.36 0.06 -0.06 0.16 0.00 0.00 175.35 175.15 2k46 s PHE 89 N 1.59 3.27 0.09 4.03 0.08 -0.28 -0.86 117.98 125.90 2k46 s PHE 89 Ca 0.05 0.23 -0.19 0.00 0.12 0.00 0.00 56.93 57.13 2k46 s PHE 89 Cb -0.17 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2k46 s PHE 89 CO 0.05 0.54 0.46 0.00 -0.10 0.00 0.00 175.22 176.17 2k46 s ALA 90 N -1.09 -1.14 0.57 5.36 0.00 -1.15 -1.10 121.76 123.21 2k46 s ALA 90 Ca 0.19 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2k46 s ALA 90 Cb -0.12 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2k46 s ALA 90 CO 0.10 -0.58 0.00 -1.91 0.00 0.00 0.00 175.76 173.37 2k46 n GLU 91 N 0.10 -3.11 0.00 0.00 4.07 -1.26 -2.11 120.64 118.33 2k46 n GLU 91 Ca -0.17 2.54 0.00 0.00 -0.06 0.00 0.00 57.16 59.47 2k46 n GLU 91 Cb 0.62 -3.64 0.00 0.00 -0.06 0.00 0.00 31.44 28.36 2k46 n GLU 91 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k46 n VAL 92 N -4.15 0.00 -1.13 6.31 3.14 -1.26 -4.37 118.33 116.87 2k46 n VAL 92 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2k46 n VAL 92 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2k46 n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k46 n TYR 93 N 0.00 -3.13 -1.02 1.45 4.19 -1.26 -4.98 117.16 112.40 2k46 n TYR 93 Ca 0.00 1.67 0.00 0.00 3.31 0.00 0.00 57.90 62.88 2k46 n TYR 93 Cb 0.05 -2.80 0.00 0.00 0.49 0.00 0.00 39.34 37.08 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2k46 n PHE 94 N -0.93 -2.44 -2.94 2.98 3.72 -1.26 -4.80 117.46 111.79 2k46 n PHE 94 Ca 0.00 1.32 -0.44 0.00 -0.05 0.00 0.00 57.45 58.28 2k46 n PHE 94 Cb 0.00 -2.66 -0.00 0.00 -0.94 0.00 0.00 39.48 35.88 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 s ALA 95 N -1.19 3.92 0.07 4.37 0.00 -1.26 -4.96 121.76 122.71 2k46 s ALA 95 Ca 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 51.96 48.71 2k46 s ALA 95 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2k46 s ALA 95 CO 0.00 -2.81 -0.11 -1.14 0.00 0.00 0.00 175.76 171.71 2k46 s GLN 96 N 1.75 0.74 0.17 0.00 2.00 -1.26 -5.16 119.66 117.89 2k46 s GLN 96 Ca 0.42 -0.97 0.10 0.00 -2.00 0.00 0.00 55.36 52.90 2k46 s GLN 96 Cb -0.03 -0.54 -0.04 0.00 0.80 0.00 0.00 33.01 33.20 2k46 s GLN 96 CO -0.01 0.10 -0.16 -1.54 -0.50 0.00 0.00 175.29 173.19 2k46 s SER 97 N -1.96 3.94 -0.91 6.67 1.04 -1.26 -4.44 113.70 116.77 2k46 s SER 97 Ca -0.02 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2k46 s SER 97 Cb -0.07 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.50 2k46 s SER 97 CO 0.01 0.13 0.00 1.67 0.98 0.00 0.00 173.24 176.03 2k46 n GLN 98 N 0.30 -1.82 -0.01 4.02 7.27 -1.26 -4.69 117.38 121.19 2k46 n GLN 98 Ca -0.13 0.51 -0.01 0.00 0.07 0.00 0.00 57.00 57.44 2k46 n GLN 98 Cb 0.55 -4.90 -0.00 0.00 2.41 0.00 0.00 30.24 28.30 2k46 n GLN 98 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2k46 n GLN 99 N -2.20 0.03 -2.66 3.69 1.13 -1.26 -4.84 117.38 111.27 2k46 n GLN 99 Ca -0.11 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.53 2k46 n GLN 99 Cb 0.46 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 30.26 2k46 n GLN 99 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2k46 n LYS 100 N -3.06 3.31 -4.45 -1.09 4.01 -1.26 -4.78 118.16 110.83 2k46 n LYS 100 Ca -0.02 -3.53 -0.33 0.00 -0.51 0.00 0.00 58.31 53.92 2k46 n LYS 100 Cb 0.51 -3.19 -0.10 0.00 -0.51 0.00 0.00 35.03 31.74 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2k46 s VAL 101 N 2.40 3.88 0.40 -0.18 -7.23 -1.26 -3.84 120.40 114.58 2k46 s VAL 101 Ca 0.46 -0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 2k46 s VAL 101 Cb 0.02 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2k46 s VAL 101 CO 0.02 0.48 0.15 0.49 -0.31 0.00 0.00 175.10 175.92 2k46 n PHE 102 N 1.78 0.11 -5.15 2.82 3.72 -0.70 -4.07 117.46 115.98 2k46 n PHE 102 Ca -0.16 -2.58 -0.29 0.00 -0.05 0.00 0.00 57.45 54.36 2k46 n PHE 102 Cb 0.53 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.91 2k46 n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k46 s ASP 103 N -3.47 2.76 -0.08 4.37 1.01 -1.12 0.05 116.67 120.19 2k46 s ASP 103 Ca 0.21 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 53.04 2k46 s ASP 103 Cb 0.01 -0.55 0.02 0.00 1.01 0.00 0.00 42.92 43.40 2k46 s ASP 103 CO 0.15 0.25 -0.10 -0.69 0.21 0.00 0.00 175.17 174.99 2k46 s VAL 104 N -0.30 1.02 0.08 -1.27 1.01 -0.63 -1.96 120.40 118.35 2k46 s VAL 104 Ca 0.02 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.70 2k46 s VAL 104 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2k46 s VAL 104 CO 0.01 0.34 -0.20 -0.13 0.00 0.00 0.00 175.10 175.13 2k46 s ARG 105 N 0.98 1.14 -0.20 2.72 0.52 -0.68 -1.15 118.95 122.28 2k46 s ARG 105 Ca -0.09 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.07 2k46 s ARG 105 Cb -0.15 -1.33 0.03 0.00 0.52 0.00 0.00 34.95 34.02 2k46 s ARG 105 CO 0.00 0.32 -0.17 0.08 0.02 0.00 0.00 175.30 175.55 2k46 s VAL 106 N -1.07 2.07 -1.42 3.52 1.01 0.83 -2.10 120.40 123.25 2k46 s VAL 106 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2k46 s VAL 106 Cb -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2k46 s VAL 106 CO 0.03 0.38 0.00 -3.20 0.00 0.00 0.00 175.10 172.31 2k46 n ASN 107 N 4.57 -4.39 0.00 3.32 4.05 0.14 -0.31 115.26 122.64 2k46 n ASN 107 Ca -0.19 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.05 2k46 n ASN 107 Cb 0.48 -3.81 0.00 0.00 1.23 0.00 0.00 39.78 37.68 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 -0.67 0.91 3.04 8.20 0.00 -1.22 -4.81 105.19 110.65 2k46 n GLY 108 Ca -0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 2.96 -0.09 1.61 3.76 0.58 -5.04 115.29 117.07 2k46 s HIS 109 Ca 0.00 -2.07 -0.29 0.00 -0.15 0.00 0.00 55.06 52.54 2k46 s HIS 109 Cb 0.00 -1.83 -0.06 0.00 1.11 0.00 0.00 32.58 31.80 2k46 s HIS 109 CO 0.00 -0.84 1.82 0.95 -0.85 0.00 0.00 174.74 175.82 2k46 s THR 110 N 1.21 3.37 -0.07 1.30 -4.23 -1.26 -0.12 115.64 115.84 2k46 s THR 110 Ca -0.06 0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2k46 s THR 110 Cb -0.19 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 2k46 s THR 110 CO -0.06 -0.10 0.02 0.52 -0.54 0.00 0.00 174.62 174.46 2k46 n VAL 111 N 6.05 0.49 -3.64 2.29 0.31 -0.30 -4.86 118.33 118.66 2k46 n VAL 111 Ca 0.20 -0.30 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 2k46 n VAL 111 Cb 0.43 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.42 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -2.17 1.02 -1.01 2.52 1.01 -1.16 -5.03 120.40 115.58 2k46 s VAL 112 Ca -0.04 -2.28 -0.05 0.00 0.00 0.00 0.00 61.98 59.61 2k46 s VAL 112 Cb 0.02 -1.72 0.25 0.00 0.00 0.00 0.00 36.38 34.93 2k46 s VAL 112 CO 0.29 -0.92 0.98 2.29 0.00 0.00 0.00 175.10 177.75 2k46 n LYS 113 N 3.72 3.17 0.00 2.72 2.85 -1.26 -1.60 118.16 127.77 2k46 n LYS 113 Ca 0.09 -4.48 0.00 0.00 -1.05 0.00 0.00 58.31 52.87 2k46 n LYS 113 Cb 0.35 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k46 n ASP 114 N 2.37 0.00 -4.56 -5.58 5.68 0.11 -4.95 116.55 109.62 2k46 n ASP 114 Ca 0.23 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.28 2k46 n ASP 114 Cb 0.38 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 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 3.09 -0.77 -2.12 0.20 0.01 -4.44 118.68 114.64 2k46 s LEU 115 Ca 0.00 0.14 -0.04 0.00 0.69 0.00 0.00 54.13 54.92 2k46 s LEU 115 Cb 0.00 -2.54 0.20 0.00 -0.43 0.00 0.00 46.19 43.42 2k46 s LEU 115 CO 0.00 -3.25 0.64 -0.62 -0.29 0.00 0.00 176.35 172.82 2k46 s ASP 116 N 10.24 5.78 0.30 3.68 -1.08 -1.25 -1.72 116.67 132.62 2k46 s ASP 116 Ca 0.86 -3.21 0.05 0.00 -0.52 0.00 0.00 52.55 49.73 2k46 s ASP 116 Cb -0.12 -1.93 0.74 0.00 -1.46 0.00 0.00 42.92 40.15 2k46 s ASP 116 CO 0.11 -0.31 1.75 0.40 0.52 0.00 0.00 175.17 177.63 2k46 h ILE 117 N 4.67 0.62 0.42 4.11 2.04 -1.89 -1.45 117.51 126.04 2k46 h ILE 117 Ca 0.08 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2k46 h ILE 117 Cb 0.90 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2k46 h ILE 117 CO 0.78 0.11 -0.20 0.15 0.00 0.00 0.00 178.15 178.99 2k46 h PHE 118 N 0.62 -0.53 -0.57 1.37 3.57 -1.85 -2.85 116.94 116.70 2k46 h PHE 118 Ca 0.57 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.23 2k46 h PHE 118 Cb 0.98 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2k46 h PHE 118 CO -0.05 -0.33 0.52 0.22 -2.23 0.00 0.00 178.31 176.45 2k46 h ASP 119 N -0.61 0.00 0.70 0.41 3.58 -1.71 0.59 116.42 119.38 2k46 h ASP 119 Ca -0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2k46 h ASP 119 Cb 0.43 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.49 2k46 h ASP 119 CO 0.10 0.00 -0.34 0.03 -2.88 0.00 0.00 179.24 176.15 2k46 h ARG 120 N 0.00 -0.90 0.00 0.28 2.47 -1.06 -3.40 114.38 111.76 2k46 h ARG 120 Ca 0.27 0.06 -0.31 0.00 -1.26 0.00 0.00 59.98 58.74 2k46 h ARG 120 Cb 1.31 0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 29.78 2k46 h ARG 120 CO -0.00 -0.60 -2.17 1.33 0.56 0.00 0.00 179.97 179.08 2k46 n VAL 121 N -5.26 1.18 0.00 2.04 0.24 -1.05 -5.10 118.33 110.38 2k46 n VAL 121 Ca -0.12 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2k46 n VAL 121 Cb 0.37 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.48 1.44 3.54 7.63 0.00 0.20 -5.05 105.19 115.44 2k46 n GLY 122 Ca -0.37 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2k46 n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 123 N 0.00 1.55 0.00 1.61 3.76 -1.26 -4.67 115.29 116.28 2k46 s HIS 123 Ca 0.00 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 2k46 s HIS 123 Cb 0.00 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.54 2k46 s HIS 123 CO 0.00 -3.63 0.35 0.43 -0.85 0.00 0.00 174.74 171.04 2k46 n SER 124 N -4.72 0.00 -0.08 1.40 7.64 -1.26 -4.80 113.62 111.80 2k46 n SER 124 Ca 0.04 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2k46 n SER 124 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.81 0.00 -4.88 0.44 -2.24 -1.26 -4.54 114.28 100.99 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 -1.20 2.66 0.06 6.98 0.00 -1.26 -4.66 121.76 124.34 2k46 s ALA 126 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2k46 s ALA 126 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2k46 s ALA 126 CO 0.00 0.52 -0.08 -1.58 0.00 0.00 0.00 175.76 174.62 2k46 s HIS 127 N -0.61 2.82 -0.06 0.00 2.46 -0.26 -4.97 115.29 114.67 2k46 s HIS 127 Ca 0.09 -0.10 -0.04 0.00 0.47 0.00 0.00 55.06 55.48 2k46 s HIS 127 Cb -0.11 -1.51 0.03 0.00 -0.13 0.00 0.00 32.58 30.85 2k46 s HIS 127 CO 0.01 0.40 0.15 0.34 -2.47 0.00 0.00 174.74 173.17 2k46 s ASP 128 N -1.88 -0.14 -0.10 9.88 2.15 -1.26 -1.12 116.67 124.20 2k46 s ASP 128 Ca 0.20 0.30 0.03 0.00 0.43 0.00 0.00 52.55 53.51 2k46 s ASP 128 Cb -0.11 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2k46 s ASP 128 CO 0.12 -0.10 -0.21 -1.61 -0.17 0.00 0.00 175.17 173.19 2k46 s GLU 129 N 0.61 2.81 -0.22 4.34 2.02 -1.05 -5.00 118.70 122.20 2k46 s GLU 129 Ca -0.04 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 2k46 s GLU 129 Cb -0.06 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 2k46 s GLU 129 CO -0.03 0.10 -0.03 0.42 0.02 0.00 0.00 175.26 175.75 2k46 s ILE 130 N 0.52 3.52 -0.45 -1.63 1.01 -1.26 -2.79 121.20 120.12 2k46 s ILE 130 Ca -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2k46 s ILE 130 Cb -0.17 -2.61 0.14 0.00 0.01 0.00 0.00 42.46 39.83 2k46 s ILE 130 CO 0.05 0.41 0.26 -0.63 0.00 0.00 0.00 174.94 175.03 2k46 s ILE 131 N 1.45 1.46 0.51 2.92 1.01 -0.97 -5.02 121.20 122.57 2k46 s ILE 131 Ca 0.05 -2.67 -0.23 0.00 0.00 0.00 0.00 60.65 57.81 2k46 s ILE 131 Cb -0.14 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 40.25 2k46 s ILE 131 CO -0.02 -0.91 1.31 -2.84 0.00 0.00 0.00 174.94 172.48 2k46 s PRO 132 N 0.23 3.38 0.07 2.79 0.02 -1.26 -2.67 135.00 137.55 2k46 s PRO 132 Ca 0.19 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2k46 s PRO 132 Cb -0.22 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 2k46 s PRO 132 CO -0.02 -0.96 -0.06 0.42 -0.33 0.00 0.00 177.00 176.05 2k46 s ILE 133 N -1.35 0.50 -0.20 2.83 1.01 0.76 -4.39 121.20 120.36 2k46 s ILE 133 Ca 0.68 -1.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2k46 s ILE 133 Cb -0.38 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 40.84 2k46 s ILE 133 CO 0.45 -0.77 0.02 -0.94 0.00 0.00 0.00 174.94 173.70 2k46 s SER 134 N -2.59 3.02 -0.18 3.58 1.04 -1.06 -1.40 113.70 116.11 2k46 s SER 134 Ca 0.04 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2k46 s SER 134 Cb 0.02 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 2k46 s SER 134 CO -0.05 -0.29 -0.05 -0.63 0.98 0.00 0.00 173.24 173.20 2k46 s ILE 135 N 1.79 3.61 -0.08 -1.02 1.01 -0.78 -1.63 121.20 124.10 2k46 s ILE 135 Ca -0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 2k46 s ILE 135 Cb -0.17 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2k46 s ILE 135 CO -0.08 0.46 0.22 -0.54 0.00 0.00 0.00 174.94 175.01 2k46 s LYS 136 N 0.81 0.26 -0.97 2.79 1.02 -0.81 -1.79 119.74 121.04 2k46 s LYS 136 Ca -0.01 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.27 2k46 s LYS 136 Cb -0.15 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2k46 s LYS 136 CO 0.02 -0.03 0.00 1.63 -0.92 0.00 0.00 175.35 176.04 2k46 n LYS 137 N 2.94 -1.67 -0.37 1.68 4.01 -1.26 -1.10 118.16 122.39 2k46 n LYS 137 Ca -0.13 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.48 2k46 n LYS 137 Cb 0.58 -5.20 0.00 0.00 -0.51 0.00 0.00 35.03 29.90 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k46 n GLY 138 N 0.21 0.81 3.67 0.72 0.00 -1.26 -5.08 105.19 104.26 2k46 n GLY 138 Ca -0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.66 2.31 -0.03 1.61 1.02 -0.26 -2.74 119.74 120.98 2k46 s LYS 139 Ca 0.00 -1.48 0.06 0.00 0.02 0.00 0.00 55.97 54.57 2k46 s LYS 139 Cb 0.00 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2k46 s LYS 139 CO 0.00 0.27 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.31 2k46 s LEU 140 N -3.73 2.29 -0.22 3.17 0.20 -0.25 -1.93 118.68 118.20 2k46 s LEU 140 Ca 0.34 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.77 2k46 s LEU 140 Cb -0.05 -1.42 0.06 0.00 -0.43 0.00 0.00 46.19 44.36 2k46 s LEU 140 CO 0.21 0.32 -0.02 -0.55 -0.29 0.00 0.00 176.35 176.02 2k46 s SER 141 N -0.60 3.54 -0.31 3.68 0.15 -0.65 -1.13 113.70 118.38 2k46 s SER 141 Ca 0.09 -1.08 -0.09 0.00 0.70 0.00 0.00 55.95 55.58 2k46 s SER 141 Cb -0.11 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 2k46 s SER 141 CO -0.00 -0.27 0.14 0.54 1.20 0.00 0.00 173.24 174.85 2k46 s VAL 142 N 1.56 4.42 0.00 4.45 0.11 -0.46 -2.56 120.40 127.91 2k46 s VAL 142 Ca -0.04 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2k46 s VAL 142 Cb -0.18 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2k46 s VAL 142 CO -0.07 0.03 0.00 0.00 -3.33 0.00 0.00 175.10 171.73 2k46 n GLN 143 N 4.95 0.00 -0.61 1.54 1.13 -1.26 -0.68 117.38 122.45 2k46 n GLN 143 Ca -0.14 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.95 2k46 n GLN 143 Cb 0.48 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.86 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 1.36 3.14 1.08 0.00 -1.26 -5.06 105.19 104.45 2k46 n GLY 144 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.52 1.48 -0.10 1.61 2.12 0.14 -5.14 118.70 118.29 2k46 s GLU 145 Ca 0.12 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 2k46 s GLU 145 Cb 0.12 -1.38 -0.03 0.00 0.26 0.00 0.00 34.13 33.10 2k46 s GLU 145 CO -0.03 0.32 0.03 0.54 -0.54 0.00 0.00 175.26 175.59 2k46 s VAL 146 N -0.24 4.59 -0.29 3.70 0.11 -1.26 -1.36 120.40 125.65 2k46 s VAL 146 Ca 0.03 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 2k46 s VAL 146 Cb -0.08 -2.96 0.12 0.00 -1.53 0.00 0.00 36.38 31.93 2k46 s VAL 146 CO 0.00 0.60 0.79 -0.55 -3.33 0.00 0.00 175.10 172.62 2k46 s SER 147 N -0.82 -0.83 0.57 3.54 0.15 -0.28 -5.02 113.70 111.01 2k46 s SER 147 Ca 0.13 1.25 -0.21 0.00 0.70 0.00 0.00 55.95 57.83 2k46 s SER 147 Cb -0.12 1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 65.72 2k46 s SER 147 CO 0.03 -0.19 1.32 0.28 1.20 0.00 0.00 173.24 175.88 2k46 s THR 148 N 1.92 2.14 0.31 6.45 -1.32 -1.26 -1.09 115.64 122.78 2k46 s THR 148 Ca -0.08 0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.23 2k46 s THR 148 Cb -0.06 -3.05 -0.09 0.00 -1.51 0.00 0.00 72.50 67.79 2k46 s THR 148 CO -0.18 -0.01 0.97 0.12 -2.21 0.00 0.00 174.62 173.31 2k46 s PHE 149 N -1.36 3.71 -0.32 9.09 5.36 -1.11 -4.58 117.98 128.77 2k46 s PHE 149 Ca 0.75 1.79 -0.02 0.00 -0.96 0.00 0.00 56.93 58.49 2k46 s PHE 149 Cb -0.38 -3.00 0.12 0.00 -0.34 0.00 0.00 43.02 39.41 2k46 s PHE 149 CO 0.44 0.09 0.16 0.95 -1.46 0.00 0.00 175.22 175.40 2k46 s THR 150 N -1.46 0.10 0.00 0.12 -4.23 -1.26 -4.87 115.64 104.05 2k46 s THR 150 Ca 0.48 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2k46 s THR 150 Cb -0.22 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2k46 s THR 150 CO 0.28 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2k46 n GLY 151 N 4.71 1.16 3.61 3.99 0.00 -1.26 -4.82 105.19 112.58 2k46 n GLY 151 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.55 0.01 1.61 0.00 -1.26 -2.83 119.74 118.82 2k46 s LYS 152 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 55.97 54.62 2k46 s LYS 152 Cb 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 37.83 38.27 2k46 s LYS 152 CO 0.00 -0.65 0.55 -1.17 0.00 0.00 0.00 175.35 174.08 2k46 s LEU 153 N -2.98 4.45 -0.20 2.77 2.96 0.40 -4.83 118.68 121.23 2k46 s LEU 153 Ca 0.19 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2k46 s LEU 153 Cb -0.01 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.87 2k46 s LEU 153 CO 0.07 0.18 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.65 2k46 s SER 154 N -0.54 3.43 -0.60 3.68 0.15 -1.26 -0.34 113.70 118.22 2k46 s SER 154 Ca 0.29 -0.93 -0.17 0.00 0.70 0.00 0.00 55.95 55.84 2k46 s SER 154 Cb -0.18 -1.16 0.13 0.00 -1.71 0.00 0.00 66.02 63.10 2k46 s SER 154 CO 0.17 -0.18 0.61 -0.69 1.20 0.00 0.00 173.24 174.35 2k46 s VAL 155 N 1.44 5.15 -0.17 4.45 1.01 -0.97 0.26 120.40 131.55 2k46 s VAL 155 Ca -0.02 -1.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 2k46 s VAL 155 Cb -0.17 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2k46 s VAL 155 CO -0.08 -0.98 -0.05 -1.61 0.00 0.00 0.00 175.10 172.39 2k46 s GLU 156 N 1.73 3.53 -0.14 2.72 2.02 -0.89 -2.42 118.70 125.26 2k46 s GLU 156 Ca 0.08 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2k46 s GLU 156 Cb -0.25 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 2k46 s GLU 156 CO 0.02 0.09 -0.18 -0.59 0.02 0.00 0.00 175.26 174.62 2k46 s PHE 157 N 0.75 2.73 0.00 1.61 -0.12 -1.02 -1.68 117.98 120.25 2k46 s PHE 157 Ca -0.02 -1.01 -0.07 0.00 -0.05 0.00 0.00 56.93 55.77 2k46 s PHE 157 Cb -0.15 -1.84 -0.05 0.00 -0.63 0.00 0.00 43.02 40.36 2k46 s PHE 157 CO 0.02 -0.44 0.28 0.08 -0.05 0.00 0.00 175.22 175.11 2k46 s VAL 158 N 0.64 5.28 0.56 -2.49 1.01 -0.83 -2.59 120.40 121.99 2k46 s VAL 158 Ca -0.09 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 2k46 s VAL 158 Cb -0.16 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2k46 s VAL 158 CO 0.02 0.39 0.96 1.17 0.00 0.00 0.00 175.10 177.65 2k46 n LYS 159 N 1.21 1.00 0.02 2.72 4.81 -1.26 -2.79 118.16 123.87 2k46 n LYS 159 Ca -0.12 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2k46 n LYS 159 Cb 0.53 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2k46 n LYS 159 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 160 N 1.28 -0.04 2.42 3.14 0.00 -1.26 -4.78 105.19 105.96 2k46 n GLY 160 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2k46 n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k46 n TYR 161 N -3.05 -1.20 -1.18 1.61 4.01 -1.26 -4.94 117.16 111.15 2k46 n TYR 161 Ca 0.00 -3.06 0.06 0.00 -0.16 0.00 0.00 57.90 54.74 2k46 n TYR 161 Cb 0.25 0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 2k46 n TYR 161 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k46 n TYR 162 N 0.44 -3.20 -2.99 -0.72 4.02 -1.26 -4.96 117.16 108.49 2k46 n TYR 162 Ca 0.17 1.75 -0.10 0.00 -0.01 0.00 0.00 57.90 59.70 2k46 n TYR 162 Cb 0.67 -2.84 0.01 0.00 -0.02 0.00 0.00 39.34 37.15 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2k46 n ASP 163 N -2.97 -7.59 -4.43 7.72 9.92 -1.26 -4.93 116.55 113.01 2k46 n ASP 163 Ca -0.03 0.31 -0.35 0.00 -0.53 0.00 0.00 54.79 54.18 2k46 n ASP 163 Cb 0.44 -4.89 0.08 0.00 -0.64 0.00 0.00 41.12 36.11 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k46 n ASN 164 N -0.63 -1.68 -2.17 -2.24 4.13 -1.26 -4.49 115.26 106.92 2k46 n ASN 164 Ca 0.06 0.51 -0.24 0.00 1.68 0.00 0.00 54.58 56.60 2k46 n ASN 164 Cb 0.50 -1.19 -0.07 0.00 -1.54 0.00 0.00 39.78 37.48 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 -0.80 0.00 0.00 3.52 -0.02 -1.26 -4.83 135.00 131.61 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 0.51 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 2k46 n PRO 165 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k46 n LYS 166 N 4.01 0.00 -3.43 -0.52 3.00 -1.26 -4.62 118.16 115.34 2k46 n LYS 166 Ca 0.31 0.52 -0.38 0.00 -0.00 0.00 0.00 58.31 58.76 2k46 n LYS 166 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 35.03 33.63 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 -2.38 5.16 -0.06 3.15 1.01 -0.90 -3.82 120.40 122.57 2k46 s VAL 167 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2k46 s VAL 167 Cb 0.00 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2k46 s VAL 167 CO 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 2k46 n ALA 169 N 3.79 4.21 -1.02 0.00 0.00 -0.04 -0.46 120.51 127.00 2k46 n ALA 169 Ca -0.23 -3.46 -0.40 0.00 0.00 0.00 0.00 53.44 49.35 2k46 n ALA 169 Cb 0.52 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.75 0.00 -3.38 0.00 -0.00 0.17 -3.09 117.00 109.95 2k46 n LEU 170 Ca 0.31 0.78 -0.13 0.00 -0.00 0.00 0.00 56.01 56.97 2k46 n LEU 170 Cb 0.88 -0.62 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 2k46 n LEU 170 CO 0.21 -1.28 -0.12 0.12 -0.00 0.00 0.00 177.39 176.32 2k46 s PHE 171 N 0.03 -0.67 -0.16 1.96 5.36 -0.46 -0.40 117.98 123.64 2k46 s PHE 171 Ca 0.62 0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 2k46 s PHE 171 Cb -0.86 -0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 41.58 2k46 s PHE 171 CO 0.39 -0.82 -0.10 -1.50 -1.46 0.00 0.00 175.22 171.72 2k46 s ILE 172 N 2.46 3.14 0.35 3.12 2.07 -0.15 -1.38 121.20 130.80 2k46 s ILE 172 Ca 0.10 -0.61 0.09 0.00 -1.41 0.00 0.00 60.65 58.83 2k46 s ILE 172 Cb -0.14 -2.36 -0.07 0.00 0.13 0.00 0.00 42.46 40.02 2k46 s ILE 172 CO -0.24 0.49 -0.09 0.00 -1.91 0.00 0.00 174.94 173.20 2k46 s MET 173 N 0.75 1.83 0.06 3.50 0.00 -1.09 -2.82 119.30 121.53 2k46 s MET 173 Ca -0.04 -1.95 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 0.02 0.13 -0.26 -1.59 0.00 0.00 0.00 175.02 173.32 2k46 s LYS 174 N -3.62 1.65 0.00 3.16 -2.85 -1.13 -2.49 119.74 114.47 2k46 s LYS 174 Ca 0.33 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2k46 s LYS 174 Cb 0.03 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 2k46 s LYS 174 CO 0.17 0.48 0.00 0.41 0.10 0.00 0.00 175.35 176.51 2k46 n GLY 175 N 1.59 2.94 0.00 0.59 0.00 0.95 -4.79 105.19 106.47 2k46 n GLY 175 Ca -0.17 -0.55 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 0.08 2.61 -2.24 -0.03 -2.87 114.28 111.83 2k46 n THR 176 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2k46 n THR 176 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.65 -0.43 6.98 0.00 -1.95 -3.35 119.26 121.16 2k46 h ALA 177 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.31 2k46 h ALA 177 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k46 h ALA 177 CO 0.00 0.70 0.29 -0.44 0.00 0.00 0.00 179.25 179.80 2k46 h ASP 178 N 0.00 0.48 -0.71 0.00 5.19 -1.99 -2.24 116.42 117.15 2k46 h ASP 178 Ca -0.09 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.38 2k46 h ASP 178 Cb 1.44 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.77 2k46 h ASP 178 CO 0.05 0.35 0.38 -0.78 -3.12 0.00 0.00 179.24 176.12 2k46 h ASP 179 N 0.57 0.54 0.00 6.45 3.58 -1.99 -3.42 116.42 122.16 2k46 h ASP 179 Ca 0.16 0.04 -0.44 0.00 0.42 0.00 0.00 57.03 57.21 2k46 h ASP 179 Cb -0.04 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 40.87 2k46 h ASP 179 CO -0.04 0.33 1.52 0.52 -2.88 0.00 0.00 179.24 178.70 2k46 n VAL 180 N -4.80 0.00 -1.61 2.25 0.31 -0.85 -4.80 118.33 108.83 2k46 n VAL 180 Ca 0.10 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.99 2k46 n VAL 180 Cb 0.22 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.70 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 7.36 1.47 -3.30 5.55 -0.02 -1.26 -4.99 135.00 139.82 2k46 n PRO 181 Ca 0.57 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 62.48 2k46 n PRO 181 Cb 0.02 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2k46 n PRO 181 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2k46 s MET 182 N -1.58 0.60 -0.47 -0.52 1.75 -1.26 -5.11 119.30 112.71 2k46 s MET 182 Ca 0.58 -0.32 -0.24 0.00 -1.25 0.00 0.00 55.69 54.46 2k46 s MET 182 Cb -0.68 -0.35 0.03 0.00 2.84 0.00 0.00 34.83 36.67 2k46 s MET 182 CO 0.60 -1.13 0.85 -0.51 -0.65 0.00 0.00 175.02 174.17 2k46 s LEU 183 N 1.97 4.18 0.41 4.11 1.43 -1.26 -5.03 118.68 124.49 2k46 s LEU 183 Ca 0.14 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 2k46 s LEU 183 Cb -0.11 -2.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.02 2k46 s LEU 183 CO -0.14 -1.01 1.45 0.00 0.23 0.00 0.00 176.35 176.88 2k46 s GLN 184 N 3.51 3.94 0.20 1.70 -2.07 -1.26 -4.88 119.66 120.81 2k46 s GLN 184 Ca 0.31 2.49 -0.30 0.00 -1.82 0.00 0.00 55.36 56.04 2k46 s GLN 184 Cb -0.12 -2.84 -0.16 0.00 -1.09 0.00 0.00 33.01 28.80 2k46 s GLN 184 CO 0.23 -0.63 0.84 -2.30 -1.32 0.00 0.00 175.29 172.10 2k46 n PRO 185 N 0.20 0.61 -4.05 9.60 -0.02 -1.26 -4.99 135.00 135.09 2k46 n PRO 185 Ca 0.03 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.50 2k46 n PRO 185 Cb 0.40 -1.46 -0.17 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.77 0.88 0.00 6.00 2.46 -1.26 -5.15 115.29 117.45 2k46 s HIS 186 Ca 0.67 -0.30 0.00 0.00 0.47 0.00 0.00 55.06 55.90 2k46 s HIS 186 Cb -0.88 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 2k46 s HIS 186 CO 0.57 -0.28 0.00 -0.35 -2.47 0.00 0.00 174.74 172.20 2k46 n PRO 187 N 4.46 1.74 0.00 2.88 -0.04 -1.26 -4.97 135.00 137.81 2k46 n PRO 187 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2k46 n PRO 187 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.59 3.30 0.55 0.00 -1.26 -4.66 105.19 108.72 2k46 n GLY 188 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 2.82 0.00 0.99 1.43 -1.26 -5.32 118.68 117.34 2k46 s LEU 189 Ca 0.00 -0.40 0.32 0.00 -1.03 0.00 0.00 54.13 53.02 2k46 s LEU 189 Cb 0.00 -1.71 1.86 0.00 0.03 0.00 0.00 46.19 46.37 2k46 s LEU 189 CO 0.00 -0.00 2.20 -0.62 0.23 0.00 0.00 176.35 178.16