#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0m s ALA 2 N 0.00 3.46 -0.29 3.17 0.00 -1.26 -4.90 121.76 121.94 2k0m s ALA 2 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 2k0m s ALA 2 Cb 0.00 -2.98 0.18 0.00 0.00 0.00 0.00 23.12 20.32 2k0m s ALA 2 CO 0.00 -0.36 0.56 0.21 0.00 0.00 0.00 175.76 176.17 2k0m s LYS 3 N 1.44 0.53 -0.14 0.00 2.47 -1.26 -5.14 119.74 117.64 2k0m s LYS 3 Ca 0.33 0.90 -0.04 0.00 -1.56 0.00 0.00 55.97 55.60 2k0m s LYS 3 Cb -0.16 0.37 0.06 0.00 -1.46 0.00 0.00 37.83 36.63 2k0m s LYS 3 CO 0.13 -0.65 0.09 0.00 0.16 0.00 0.00 175.35 175.09 2k0m s ALA 4 N 2.80 0.34 0.33 3.13 0.00 -1.26 -5.14 121.76 121.96 2k0m s ALA 4 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 2k0m s ALA 4 Cb -0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2k0m s ALA 4 CO -0.20 -1.03 0.63 -0.65 0.00 0.00 0.00 175.76 174.51 2k0m s GLN 5 N 2.16 3.69 0.22 0.00 1.11 -1.26 -5.04 119.66 120.54 2k0m s GLN 5 Ca 0.03 0.17 -0.32 0.00 0.01 0.00 0.00 55.36 55.25 2k0m s GLN 5 Cb -0.15 -2.56 -0.13 0.00 -1.01 0.00 0.00 33.01 29.16 2k0m s GLN 5 CO -0.08 0.13 1.62 -0.35 0.01 0.00 0.00 175.29 176.62 2k0m n PRO 6 N -1.03 2.51 -1.92 2.91 -0.04 -1.26 -4.85 135.00 131.31 2k0m n PRO 6 Ca -0.00 0.90 -0.24 0.00 -0.04 0.00 0.00 63.50 64.12 2k0m n PRO 6 Cb 0.54 -2.69 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 2k0m n PRO 6 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k0m s ILE 7 N 0.67 3.33 -0.39 0.52 1.09 0.47 -4.66 121.20 122.23 2k0m s ILE 7 Ca 0.72 -0.25 -0.13 0.00 -1.10 0.00 0.00 60.65 59.90 2k0m s ILE 7 Cb -0.56 -3.75 0.02 0.00 -1.06 0.00 0.00 42.46 37.11 2k0m s ILE 7 CO 0.40 -0.70 0.25 -0.70 -0.10 0.00 0.00 174.94 174.08 2k0m s GLU 8 N 7.49 2.89 -0.13 2.79 -6.30 -1.26 0.23 118.70 124.41 2k0m s GLU 8 Ca 0.76 -1.05 0.01 0.00 -2.50 0.00 0.00 54.97 52.18 2k0m s GLU 8 Cb -0.09 -3.85 0.02 0.00 0.00 0.00 0.00 34.13 30.22 2k0m s GLU 8 CO 0.03 -0.72 -0.14 0.42 0.02 0.00 0.00 175.26 174.87 2k0m s ILE 9 N 1.61 1.50 -1.93 -3.70 1.01 -0.18 -4.77 121.20 114.73 2k0m s ILE 9 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k0m s ILE 9 Cb -0.19 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2k0m s ILE 9 CO 0.08 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.47 2k0m n ALA 10 N 4.62 -0.52 -0.35 9.38 0.00 -1.26 -0.88 120.51 131.50 2k0m n ALA 10 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k0m n ALA 10 Cb 0.50 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2k0m n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k0m n GLY 11 N -0.81 0.69 3.30 0.00 0.00 -1.26 -4.95 105.19 102.16 2k0m n GLY 11 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2k0m n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k0m s HIS 12 N -2.70 3.31 0.09 1.61 3.76 -0.06 -5.08 115.29 116.22 2k0m s HIS 12 Ca 0.00 -1.35 -0.18 0.00 -0.15 0.00 0.00 55.06 53.37 2k0m s HIS 12 Cb 0.00 -3.24 -0.07 0.00 1.11 0.00 0.00 32.58 30.38 2k0m s HIS 12 CO 0.00 -0.88 0.57 -1.83 -0.85 0.00 0.00 174.74 171.75 2k0m s GLU 13 N 1.51 4.16 -0.12 1.40 -1.05 -1.26 -1.01 118.70 122.33 2k0m s GLU 13 Ca 0.04 0.70 0.01 0.00 -0.15 0.00 0.00 54.97 55.56 2k0m s GLU 13 Cb -0.25 -3.16 0.02 0.00 -0.44 0.00 0.00 34.13 30.29 2k0m s GLU 13 CO 0.03 0.60 -0.13 -0.06 0.95 0.00 0.00 175.26 176.65 2k0m s PHE 14 N -1.20 1.88 0.51 4.83 0.08 0.13 -4.91 117.98 119.30 2k0m s PHE 14 Ca 0.31 -0.93 0.33 0.00 0.12 0.00 0.00 56.93 56.76 2k0m s PHE 14 Cb -0.19 -1.40 1.83 0.00 -0.57 0.00 0.00 43.02 42.70 2k0m s PHE 14 CO 0.19 -0.52 2.20 0.00 -0.10 0.00 0.00 175.22 176.99 2k0m h ALA 15 N 7.72 1.25 -2.95 5.36 0.00 -1.94 0.14 119.26 128.84 2k0m h ALA 15 Ca -0.33 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2k0m h ALA 15 Cb 1.16 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 2k0m h ALA 15 CO 0.48 0.05 -0.40 0.50 0.00 0.00 0.00 179.25 179.89 2k0m s ARG 16 N -4.27 0.39 0.27 0.00 3.52 -1.26 -4.84 118.95 112.77 2k0m s ARG 16 Ca -0.04 0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.70 2k0m s ARG 16 Cb 0.13 0.18 0.39 0.00 -1.56 0.00 0.00 34.95 34.10 2k0m s ARG 16 CO 0.52 -0.07 1.91 -0.22 -0.81 0.00 0.00 175.30 176.63 2k0m h LYS 17 N 5.21 1.17 -0.04 5.12 3.11 -1.98 0.15 116.57 129.31 2k0m h LYS 17 Ca -0.27 -0.07 0.01 0.00 -2.81 0.00 0.00 60.65 57.51 2k0m h LYS 17 Cb 1.19 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2k0m h LYS 17 CO 0.36 0.77 0.06 0.00 -2.81 0.00 0.00 179.45 177.83 2k0m h ALA 18 N 1.44 1.42 0.09 5.00 0.00 -1.97 -1.49 119.26 123.74 2k0m h ALA 18 Ca 0.40 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.04 2k0m h ALA 18 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k0m h ALA 18 CO -0.13 -0.08 -1.14 0.22 0.00 0.00 0.00 179.25 178.12 2k0m h ASP 19 N 0.00 0.52 -0.39 0.00 3.58 -1.38 -3.17 116.42 115.58 2k0m h ASP 19 Ca 0.02 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 2k0m h ASP 19 Cb 0.13 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2k0m h ASP 19 CO -0.00 1.34 0.18 0.00 -2.88 0.00 0.00 179.24 177.88 2k0m h ALA 20 N 0.60 0.50 -0.79 -0.78 0.00 -1.12 -2.28 119.26 115.39 2k0m h ALA 20 Ca -0.12 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2k0m h ALA 20 Cb 1.82 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2k0m h ALA 20 CO 0.19 0.07 0.47 -0.07 0.00 0.00 0.00 179.25 179.92 2k0m h LEU 21 N 0.49 0.70 -0.13 0.00 3.38 -1.58 -1.37 115.31 116.81 2k0m h LEU 21 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2k0m h LEU 21 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2k0m h LEU 21 CO -0.02 0.44 -0.02 0.00 0.09 0.00 0.00 178.44 178.93 2k0m h ALA 22 N 1.40 0.09 -0.35 1.53 0.00 -1.47 -0.66 119.26 119.81 2k0m h ALA 22 Ca 0.36 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.37 2k0m h ALA 22 Cb 0.23 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2k0m h ALA 22 CO -0.20 -0.47 0.05 0.35 0.00 0.00 0.00 179.25 178.98 2k0m h PHE 23 N 0.02 0.07 -0.94 0.00 3.57 -0.88 0.26 116.94 119.04 2k0m h PHE 23 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2k0m h PHE 23 Cb 0.09 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2k0m h PHE 23 CO -0.16 -0.01 0.61 0.52 -2.23 0.00 0.00 178.31 177.04 2k0m h MET 24 N 0.16 1.11 -0.30 1.11 2.86 -0.99 -1.78 114.93 117.10 2k0m h MET 24 Ca 0.17 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2k0m h MET 24 Cb 0.21 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2k0m h MET 24 CO -0.24 0.73 0.09 -0.22 1.06 0.00 0.00 176.91 178.33 2k0m h LYS 25 N 1.14 0.47 0.02 1.72 3.11 -0.38 -1.10 116.57 121.56 2k0m h LYS 25 Ca 0.39 -0.11 0.02 0.00 -2.81 0.00 0.00 60.65 58.15 2k0m h LYS 25 Cb 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 2k0m h LYS 25 CO -0.15 0.53 -0.19 0.28 -2.81 0.00 0.00 179.45 177.12 2k0m h VAL 26 N 0.33 0.55 0.00 2.00 2.07 -0.39 -0.43 116.25 120.38 2k0m h VAL 26 Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 2k0m h VAL 26 Cb 0.26 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2k0m h VAL 26 CO -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.26 2k0m h MET 27 N -0.32 0.00 0.00 1.57 -0.00 -1.36 0.14 114.93 114.97 2k0m h MET 27 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2k0m h MET 27 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2k0m h MET 27 CO -0.16 0.33 0.00 1.25 -0.00 0.00 0.00 176.91 178.32 2k0m h LEU 28 N 0.00 0.00 0.00 -0.10 5.85 -0.48 -0.89 115.31 119.69 2k0m h LEU 28 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 2k0m h LEU 28 Cb 0.66 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2k0m h LEU 28 CO 0.04 0.00 -1.98 0.59 -0.34 0.00 0.00 178.44 176.75 2k0m n ASN 29 N -2.84 0.51 -0.29 1.25 5.03 -0.24 -4.18 115.26 114.51 2k0m n ASN 29 Ca 0.01 0.24 -0.02 0.00 0.87 0.00 0.00 54.58 55.69 2k0m n ASN 29 Cb 0.28 0.39 0.16 0.00 -1.02 0.00 0.00 39.78 39.58 2k0m n ASN 29 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2k0m h ARG 30 N 0.00 1.15 -4.79 3.52 9.65 -0.36 -3.37 114.38 120.18 2k0m h ARG 30 Ca -0.39 -0.10 -0.67 0.00 -1.10 0.00 0.00 59.98 57.72 2k0m h ARG 30 Cb 2.09 -0.24 -0.18 0.00 -1.39 0.00 0.00 29.97 30.24 2k0m h ARG 30 CO 0.06 0.81 -0.41 0.71 2.80 0.00 0.00 179.97 183.94 2k0m s TYR 31 N -5.87 3.22 0.89 2.20 2.02 -0.37 -5.08 117.35 114.35 2k0m s TYR 31 Ca -0.12 -0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.32 2k0m s TYR 31 Cb 0.17 -2.55 0.13 0.00 -0.40 0.00 0.00 41.96 39.31 2k0m s TYR 31 CO 0.81 -0.40 1.12 1.03 -1.57 0.00 0.00 175.55 176.54 2k0m s ARG 32 N 1.83 1.28 0.00 -0.62 0.52 -1.26 -4.75 118.95 115.95 2k0m s ARG 32 Ca 0.08 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 2k0m s ARG 32 Cb -0.17 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.53 2k0m s ARG 32 CO 0.11 -2.39 0.20 -0.35 0.02 0.00 0.00 175.30 172.88 2k0m n PRO 33 N -4.05 0.26 -0.84 3.54 -0.04 -1.26 -1.75 135.00 130.85 2k0m n PRO 33 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2k0m n PRO 33 Cb 0.53 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 2k0m n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k0m n GLY 34 N 0.64 0.75 3.54 0.55 0.00 -1.11 -4.29 105.19 105.27 2k0m n GLY 34 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2k0m n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k0m s ASP 35 N -0.87 3.89 -0.15 1.61 1.11 -0.72 -4.98 116.67 116.56 2k0m s ASP 35 Ca 0.06 -0.99 -0.12 0.00 0.18 0.00 0.00 52.55 51.69 2k0m s ASP 35 Cb 0.07 -0.45 -0.05 0.00 1.07 0.00 0.00 42.92 43.57 2k0m s ASP 35 CO -0.03 -0.06 0.23 -0.63 1.18 0.00 0.00 175.17 175.86 2k0m s ILE 36 N -2.50 5.34 0.04 0.77 -1.09 -1.26 -1.53 121.20 120.97 2k0m s ILE 36 Ca 0.32 0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 2k0m s ILE 36 Cb -0.03 -3.56 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 2k0m s ILE 36 CO 0.17 0.46 1.29 -0.69 -1.23 0.00 0.00 174.94 174.95 2k0m s VAL 37 N 0.02 3.82 1.14 2.92 1.01 0.27 -4.98 120.40 124.61 2k0m s VAL 37 Ca 0.15 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 2k0m s VAL 37 Cb -0.13 -3.81 0.27 0.00 0.00 0.00 0.00 36.38 32.71 2k0m s VAL 37 CO 0.03 0.06 1.17 -0.55 0.00 0.00 0.00 175.10 175.81 2k0m s SER 38 N 1.35 1.45 0.11 3.32 0.15 -1.26 -4.29 113.70 114.54 2k0m s SER 38 Ca 0.61 0.49 -0.20 0.00 0.70 0.00 0.00 55.95 57.55 2k0m s SER 38 Cb -0.31 -0.65 -0.09 0.00 -1.71 0.00 0.00 66.02 63.26 2k0m s SER 38 CO 0.28 -3.78 1.77 0.74 1.20 0.00 0.00 173.24 173.44 2k0m h THR 39 N -2.35 1.04 0.87 6.45 2.02 -1.97 0.17 112.91 119.14 2k0m h THR 39 Ca -0.44 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2k0m h THR 39 Cb 1.27 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2k0m h THR 39 CO 0.34 0.04 -0.46 0.58 0.37 0.00 0.00 175.52 176.39 2k0m h VAL 40 N 0.21 0.07 -0.78 3.16 2.07 -1.99 0.24 116.25 119.23 2k0m h VAL 40 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2k0m h VAL 40 Cb -0.02 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 2k0m h VAL 40 CO -0.01 0.00 0.43 0.44 0.02 0.00 0.00 177.57 178.44 2k0m h ASP 41 N -1.22 0.98 -0.60 0.57 5.19 -1.94 -2.64 116.42 116.76 2k0m h ASP 41 Ca -0.12 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2k0m h ASP 41 Cb 0.95 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 2k0m h ASP 41 CO 0.17 0.79 0.29 1.23 -3.12 0.00 0.00 179.24 178.60 2k0m h GLY 42 N 1.13 0.93 0.89 2.75 0.00 -0.49 -2.65 103.07 105.64 2k0m h GLY 42 Ca 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.19 2k0m h GLY 42 CO -0.04 0.44 0.64 0.00 0.00 0.00 0.00 176.54 177.57 2k0m h ALA 43 N 1.12 1.38 -0.92 3.60 0.00 -0.18 0.12 119.26 124.38 2k0m h ALA 43 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2k0m h ALA 43 Cb 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2k0m h ALA 43 CO -0.03 0.52 0.59 0.35 0.00 0.00 0.00 179.25 180.69 2k0m h PHE 44 N 1.22 1.11 -0.41 0.00 3.57 -1.21 -1.01 116.94 120.21 2k0m h PHE 44 Ca 0.39 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.82 2k0m h PHE 44 Cb 0.03 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 2k0m h PHE 44 CO -0.00 0.62 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.49 2k0m h LEU 45 N 1.13 0.84 -0.34 0.59 3.38 -0.84 -0.70 115.31 119.38 2k0m h LEU 45 Ca 0.38 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k0m h LEU 45 Cb 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2k0m h LEU 45 CO -0.14 1.03 0.12 0.58 0.09 0.00 0.00 178.44 180.13 2k0m h VAL 46 N 0.64 0.91 -0.42 1.22 2.07 -0.31 0.28 116.25 120.64 2k0m h VAL 46 Ca 0.10 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2k0m h VAL 46 Cb 0.69 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2k0m h VAL 46 CO 0.05 0.05 0.05 -0.33 0.02 0.00 0.00 177.57 177.41 2k0m h GLU 47 N 0.27 0.71 0.00 1.57 4.39 -1.18 0.71 114.58 121.05 2k0m h GLU 47 Ca 0.15 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k0m h GLU 47 Cb 0.12 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k0m h GLU 47 CO -0.15 0.75 -0.02 0.00 -1.16 0.00 0.00 179.01 178.43 2k0m h ALA 48 N 0.92 1.41 0.04 3.43 0.00 -0.71 -2.43 119.26 121.93 2k0m h ALA 48 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2k0m h ALA 48 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k0m h ALA 48 CO 0.01 0.03 -0.46 1.25 0.00 0.00 0.00 179.25 180.08 2k0m h LEU 49 N 0.00 0.15 -2.01 0.00 5.85 0.10 -3.37 115.31 116.02 2k0m h LEU 49 Ca -0.00 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 57.95 2k0m h LEU 49 Cb 0.07 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2k0m h LEU 49 CO 0.00 1.20 0.42 0.11 -0.34 0.00 0.00 178.44 179.84 2k0m h LYS 50 N -0.79 0.00 0.00 1.25 1.57 -0.40 -0.54 116.57 117.66 2k0m h LYS 50 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2k0m h LYS 50 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2k0m h LYS 50 CO 0.02 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.79 2k0m n ARG 51 N -4.10 0.19 -3.44 3.15 1.85 -1.04 -4.78 116.66 108.48 2k0m n ARG 51 Ca 0.09 0.40 -0.33 0.00 -1.00 0.00 0.00 57.85 57.01 2k0m n ARG 51 Cb 0.63 -1.84 -0.05 0.00 -1.05 0.00 0.00 32.46 30.15 2k0m n ARG 51 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2k0m s HIS 52 N -3.28 3.49 0.14 2.89 3.76 -0.21 -4.75 115.29 117.32 2k0m s HIS 52 Ca 0.05 0.88 0.27 0.00 -0.15 0.00 0.00 55.06 56.11 2k0m s HIS 52 Cb 0.09 -2.25 1.09 0.00 1.11 0.00 0.00 32.58 32.63 2k0m s HIS 52 CO 0.40 0.35 1.89 -1.00 -0.85 0.00 0.00 174.74 175.52 2k0m h PRO 53 N 2.92 0.00 -0.37 8.40 0.13 -1.87 -2.62 132.00 138.59 2k0m h PRO 53 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k0m h PRO 53 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k0m h PRO 53 CO 0.68 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.20 2k0m n ASP 54 N -3.32 2.42 -0.06 1.44 5.75 -1.26 -4.56 116.55 116.96 2k0m n ASP 54 Ca 0.00 -1.92 -0.08 0.00 -0.01 0.00 0.00 54.79 52.78 2k0m n ASP 54 Cb 0.38 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 2k0m n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k0m h ALA 55 N 4.02 -0.18 -0.92 2.12 0.00 -1.69 -2.40 119.26 120.20 2k0m h ALA 55 Ca 0.00 0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.22 2k0m h ALA 55 Cb 0.64 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2k0m h ALA 55 CO 0.00 -0.71 0.63 0.00 0.00 0.00 0.00 179.25 179.17 2k0m h THR 56 N -0.28 0.61 -0.08 0.00 1.03 -1.84 0.17 112.91 112.52 2k0m h THR 56 Ca 0.14 -0.09 -0.20 0.00 -0.01 0.00 0.00 66.41 66.25 2k0m h THR 56 Cb 0.50 0.33 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2k0m h THR 56 CO -0.43 0.05 -0.78 0.28 -0.01 0.00 0.00 175.52 174.63 2k0m h SER 57 N 0.26 0.59 1.48 0.00 0.02 -1.78 0.75 113.55 114.87 2k0m h SER 57 Ca 0.47 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k0m h SER 57 Cb 1.41 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2k0m h SER 57 CO -0.13 1.16 -0.32 0.11 -1.14 0.00 0.00 176.83 176.50 2k0m h LYS 58 N 0.32 0.00 0.19 3.45 1.57 -0.92 -3.27 116.57 117.92 2k0m h LYS 58 Ca -0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 2k0m h LYS 58 Cb 1.37 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.70 2k0m h LYS 58 CO 0.14 0.00 -1.43 0.82 -0.57 0.00 0.00 179.45 178.41 2k0m h ILE 59 N 0.00 1.16 0.00 1.86 2.04 -0.72 -3.46 117.51 118.39 2k0m h ILE 59 Ca 0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 2k0m h ILE 59 Cb 0.90 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 2k0m h ILE 59 CO 0.00 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.55 2k0m n GLY 60 N 1.76 2.80 0.04 5.37 0.00 0.25 -2.11 105.19 113.30 2k0m n GLY 60 Ca -0.21 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.61 2k0m n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k0m n PRO 61 N 13.65 1.05 0.00 1.61 -0.04 -1.26 -4.95 135.00 145.06 2k0m n PRO 61 Ca 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2k0m n PRO 61 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2k0m n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k0m n GLY 62 N 0.91 4.49 3.72 0.55 0.00 -0.90 -4.89 105.19 109.08 2k0m n GLY 62 Ca 0.19 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 2k0m n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0m s VAL 63 N -2.00 5.26 -0.18 1.61 1.01 -1.26 -0.77 120.40 124.07 2k0m s VAL 63 Ca 0.00 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 2k0m s VAL 63 Cb 0.00 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 2k0m s VAL 63 CO 0.00 0.35 -0.04 -1.14 0.00 0.00 0.00 175.10 174.26 2k0m n ARG 64 N 3.76 0.51 -3.76 2.72 0.63 0.85 -4.82 116.66 116.55 2k0m n ARG 64 Ca -0.10 0.51 -0.03 0.00 -0.92 0.00 0.00 57.85 57.31 2k0m n ARG 64 Cb 0.52 -1.69 0.02 0.00 0.45 0.00 0.00 32.46 31.76 2k0m n ARG 64 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2k0m n ASN 65 N -4.51 -1.70 -4.40 6.15 6.94 -1.13 -5.04 115.26 111.57 2k0m n ASN 65 Ca -0.20 -1.91 -0.29 0.00 -0.02 0.00 0.00 54.58 52.15 2k0m n ASN 65 Cb 0.48 2.77 -0.13 0.00 -2.36 0.00 0.00 39.78 40.54 2k0m n ASN 65 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2k0m s PHE 66 N -2.28 2.35 0.05 -2.53 0.40 -1.26 -0.59 117.98 114.12 2k0m s PHE 66 Ca 0.22 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2k0m s PHE 66 Cb -0.03 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 2k0m s PHE 66 CO 0.06 0.32 -0.16 -2.00 0.70 0.00 0.00 175.22 174.14 2k0m s GLU 67 N -1.97 1.02 -0.22 0.44 2.12 -0.42 -0.56 118.70 119.10 2k0m s GLU 67 Ca 0.14 -0.85 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 2k0m s GLU 67 Cb -0.10 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 2k0m s GLU 67 CO 0.06 0.26 0.11 0.08 -0.54 0.00 0.00 175.26 175.23 2k0m s VAL 68 N -0.92 4.96 -0.01 3.70 1.01 -0.58 -0.65 120.40 127.90 2k0m s VAL 68 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2k0m s VAL 68 Cb -0.08 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2k0m s VAL 68 CO 0.02 0.38 0.19 -0.60 0.00 0.00 0.00 175.10 175.09 2k0m s ARG 69 N 0.96 0.51 0.58 2.72 3.52 -1.13 -2.75 118.95 123.36 2k0m s ARG 69 Ca 0.06 -0.28 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 2k0m s ARG 69 Cb -0.14 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2k0m s ARG 69 CO 0.03 -0.12 1.14 -1.54 -0.81 0.00 0.00 175.30 174.00 2k0m s SER 70 N -1.22 5.44 0.02 -2.12 1.04 -1.26 -0.36 113.70 115.24 2k0m s SER 70 Ca -0.13 2.19 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2k0m s SER 70 Cb -0.06 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2k0m s SER 70 CO 0.02 -1.41 0.00 0.00 0.98 0.00 0.00 173.24 172.83 2k0m n ALA 71 N -1.64 3.00 -2.76 5.32 0.00 -0.68 -4.75 120.51 118.99 2k0m n ALA 71 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k0m n ALA 71 Cb 0.51 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2k0m n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k0m n ASP 72 N -2.86 0.67 0.05 0.00 8.00 -0.91 -5.03 116.55 116.47 2k0m n ASP 72 Ca 0.00 -0.43 -0.05 0.00 0.71 0.00 0.00 54.79 55.02 2k0m n ASP 72 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2k0m n ASP 72 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2k0m h TYR 73 N 0.14 -0.48 0.00 1.24 0.05 -2.02 -3.34 116.97 112.56 2k0m h TYR 73 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2k0m h TYR 73 Cb 0.00 0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 2k0m h TYR 73 CO 0.00 -0.19 -0.49 0.41 -1.05 0.00 0.00 178.16 176.84 2k0m n GLY 74 N -1.16 4.44 3.00 3.88 0.00 -1.26 -5.02 105.19 109.08 2k0m n GLY 74 Ca -0.03 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 2k0m n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0m s THR 75 N -2.67 1.08 0.49 2.61 -4.23 -1.26 -5.10 115.64 106.56 2k0m s THR 75 Ca 0.35 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2k0m s THR 75 Cb 0.35 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 73.28 2k0m s THR 75 CO -0.06 0.35 0.67 0.00 -0.54 0.00 0.00 174.62 175.03 2k0m n GLN 76 N 3.97 0.10 -3.96 3.99 3.00 -1.26 -1.69 117.38 121.53 2k0m n GLN 76 Ca -0.22 -1.77 -0.09 0.00 -0.01 0.00 0.00 57.00 54.91 2k0m n GLN 76 Cb 0.51 -0.45 -0.10 0.00 0.00 0.00 0.00 30.24 30.20 2k0m n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k0m s PHE 78 N -2.48 3.21 -0.17 0.00 0.08 -1.25 -2.83 117.98 114.55 2k0m s PHE 78 Ca -0.06 0.63 -0.15 0.00 0.12 0.00 0.00 56.93 57.47 2k0m s PHE 78 Cb -0.02 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 2k0m s PHE 78 CO -0.04 -0.49 0.36 -1.58 -0.10 0.00 0.00 175.22 173.37 2k0m s TRP 79 N 2.67 3.44 -0.45 0.36 0.52 0.17 -2.31 118.94 123.34 2k0m s TRP 79 Ca 0.26 0.65 -0.22 0.00 0.02 0.00 0.00 56.10 56.82 2k0m s TRP 79 Cb -0.15 -2.44 0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2k0m s TRP 79 CO 0.12 0.14 0.72 0.42 0.02 0.00 0.00 176.95 178.37 2k0m s ILE 80 N 0.78 4.73 -0.80 2.03 1.01 0.29 -1.30 121.20 127.93 2k0m s ILE 80 Ca 0.19 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.88 2k0m s ILE 80 Cb -0.14 -4.27 0.06 0.00 0.01 0.00 0.00 42.46 38.12 2k0m s ILE 80 CO 0.06 -0.67 1.19 -0.76 0.00 0.00 0.00 174.94 174.77 2k0m s LEU 81 N 3.08 3.90 0.41 2.97 2.01 0.25 -2.03 118.68 129.25 2k0m s LEU 81 Ca 0.26 -1.07 -0.22 0.00 0.01 0.00 0.00 54.13 53.11 2k0m s LEU 81 Cb -0.13 -2.49 -0.10 0.00 0.01 0.00 0.00 46.19 43.47 2k0m s LEU 81 CO 0.21 -1.53 0.96 -0.13 1.01 0.00 0.00 176.35 176.87 2k0m s ARG 82 N 4.60 4.28 0.59 1.70 0.52 -1.26 -0.10 118.95 129.27 2k0m s ARG 82 Ca 0.33 1.21 0.28 0.00 -0.52 0.00 0.00 55.73 57.03 2k0m s ARG 82 Cb -0.09 -2.34 1.71 0.00 0.52 0.00 0.00 34.95 34.75 2k0m s ARG 82 CO 0.05 0.01 2.17 1.79 0.02 0.00 0.00 175.30 179.34 2k0m h THR 83 N 2.07 0.53 -0.98 0.02 1.35 -1.25 0.68 112.91 115.33 2k0m h THR 83 Ca -0.48 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.53 2k0m h THR 83 Cb 1.19 0.92 -0.09 0.00 -1.73 0.00 0.00 68.15 68.44 2k0m h THR 83 CO 0.62 0.00 0.61 -0.78 -0.25 0.00 0.00 175.52 175.72 2k0m h ASP 84 N 0.00 0.79 0.00 5.36 1.82 -1.93 -3.47 116.42 119.00 2k0m h ASP 84 Ca 0.04 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2k0m h ASP 84 Cb 0.24 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2k0m h ASP 84 CO -0.00 0.36 0.00 0.61 -1.61 0.00 0.00 179.24 178.60 2k0m n GLY 85 N -1.37 1.10 3.58 -0.78 0.00 0.23 -5.07 105.19 102.89 2k0m n GLY 85 Ca 0.20 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2k0m n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0m s SER 86 N -0.56 6.38 0.18 1.61 0.01 -1.26 -4.81 113.70 115.25 2k0m s SER 86 Ca 0.00 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.27 2k0m s SER 86 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 2k0m s SER 86 CO 0.00 -1.50 0.92 -1.83 0.41 0.00 0.00 173.24 171.24 2k0m s GLU 87 N 5.02 4.76 -0.03 12.44 1.03 -1.26 -4.15 118.70 136.51 2k0m s GLU 87 Ca 0.48 1.42 0.01 0.00 0.03 0.00 0.00 54.97 56.92 2k0m s GLU 87 Cb -0.09 -3.31 0.02 0.00 -0.80 0.00 0.00 34.13 29.95 2k0m s GLU 87 CO 0.27 0.42 -0.02 -2.00 -1.33 0.00 0.00 175.26 172.61 2k0m s GLU 88 N -0.76 0.41 0.23 -4.83 2.12 -0.86 -4.93 118.70 110.09 2k0m s GLU 88 Ca 0.42 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.77 2k0m s GLU 88 Cb -0.25 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.59 2k0m s GLU 88 CO 0.30 -0.08 0.39 -0.98 -0.54 0.00 0.00 175.26 174.35 2k0m s ARG 89 N 0.79 3.48 0.00 4.30 1.70 -1.26 -0.55 118.95 127.41 2k0m s ARG 89 Ca -0.09 -0.51 0.03 0.00 -0.47 0.00 0.00 55.73 54.69 2k0m s ARG 89 Cb -0.12 -2.84 -0.01 0.00 -0.57 0.00 0.00 34.95 31.41 2k0m s ARG 89 CO -0.01 0.38 -0.10 -0.59 -1.08 0.00 0.00 175.30 173.91 2k0m s PHE 90 N -1.96 0.85 -0.09 5.89 -0.71 -0.98 -4.95 117.98 116.03 2k0m s PHE 90 Ca 0.37 -0.20 0.27 0.00 -1.04 0.00 0.00 56.93 56.32 2k0m s PHE 90 Cb -0.10 -0.54 1.37 0.00 -1.21 0.00 0.00 43.02 42.54 2k0m s PHE 90 CO 0.30 -0.01 1.82 0.77 -1.34 0.00 0.00 175.22 176.76 2k0m h SER 91 N 5.68 0.00 0.00 1.98 0.02 -1.95 -3.33 113.55 115.96 2k0m h SER 91 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2k0m h SER 91 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2k0m h SER 91 CO 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 2k0m n TYR 92 N -2.45 0.00 -0.29 3.45 0.18 -1.26 -4.20 117.16 112.59 2k0m n TYR 92 Ca -0.01 0.00 0.28 0.00 1.88 0.00 0.00 57.90 60.05 2k0m n TYR 92 Cb 0.10 0.00 0.64 0.00 -0.38 0.00 0.00 39.34 39.70 2k0m n TYR 92 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 2k0m h LYS 93 N 0.00 0.17 -5.11 -3.48 2.10 -1.97 -3.23 116.57 105.05 2k0m h LYS 93 Ca 0.00 -0.01 -0.70 0.00 -2.00 0.00 0.00 60.65 57.94 2k0m h LYS 93 Cb 0.00 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.21 2k0m h LYS 93 CO 0.00 0.11 2.40 1.63 -2.00 0.00 0.00 179.45 181.59 2k0m n LYS 94 N -4.39 3.13 -3.64 0.07 5.02 -1.26 -4.85 118.16 112.25 2k0m n LYS 94 Ca 0.24 -3.14 -0.06 0.00 -2.02 0.00 0.00 58.31 53.32 2k0m n LYS 94 Cb 1.02 -3.37 -0.07 0.00 -0.02 0.00 0.00 35.03 32.59 2k0m n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k0m n VAL 96 N 3.31 0.02 -3.74 0.00 0.31 -1.26 -5.04 118.33 111.92 2k0m n VAL 96 Ca -0.17 0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2k0m n VAL 96 Cb 0.57 -0.19 -0.10 0.00 -0.91 0.00 0.00 33.84 33.21 2k0m n VAL 96 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k0m s LEU 97 N -5.41 0.53 0.00 7.52 1.43 -1.26 -5.03 118.68 116.46 2k0m s LEU 97 Ca 0.00 0.76 0.30 0.00 -1.03 0.00 0.00 54.13 54.17 2k0m s LEU 97 Cb 0.00 1.33 1.56 0.00 0.03 0.00 0.00 46.19 49.11 2k0m s LEU 97 CO 0.00 -0.14 2.07 -0.62 0.23 0.00 0.00 176.35 177.89 2k0m n GLU 98 N 2.82 0.51 -2.17 1.70 4.71 -1.26 -2.35 120.64 124.60 2k0m n GLU 98 Ca -0.13 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.16 56.72 2k0m n GLU 98 Cb 0.57 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.52 2k0m n GLU 98 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2k0m n HIS 99 N -1.24 3.15 -1.91 -0.32 8.25 -1.26 -5.04 115.22 116.86 2k0m n HIS 99 Ca 0.15 -2.74 -0.24 0.00 -0.26 0.00 0.00 57.72 54.63 2k0m n HIS 99 Cb 0.23 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 2k0m n HIS 99 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k0m s HIS 100 N -3.66 1.60 -0.28 4.41 5.04 -0.99 -4.86 115.29 116.54 2k0m s HIS 100 Ca 0.51 1.03 -0.16 0.00 -1.54 0.00 0.00 55.06 54.90 2k0m s HIS 100 Cb 0.42 -3.87 0.11 0.00 0.04 0.00 0.00 32.58 29.28 2k0m s HIS 100 CO -0.14 -1.76 0.85 -3.38 -2.34 0.00 0.00 174.74 167.96 2k0m s HIS 101 N 11.32 -0.79 -0.23 3.88 -3.43 -1.26 -5.08 115.29 119.71 2k0m s HIS 101 Ca 0.77 1.59 -0.03 0.00 -0.80 0.00 0.00 55.06 56.59 2k0m s HIS 101 Cb -0.09 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.65 2k0m s HIS 101 CO 0.04 -0.39 0.34 -1.01 -2.00 0.00 0.00 174.74 171.71 2k0m s HIS 102 N 1.42 -0.67 -0.00 0.38 3.76 -1.26 -5.13 115.29 113.79 2k0m s HIS 102 Ca -0.09 0.69 -0.19 0.00 -0.15 0.00 0.00 55.06 55.32 2k0m s HIS 102 Cb -0.04 -0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.52 2k0m s HIS 102 CO -0.17 -0.68 0.53 -1.58 -0.85 0.00 0.00 174.74 172.00 2k0m s HIS 103 N 2.49 3.70 0.00 1.40 2.46 -1.26 -5.16 115.29 118.92 2k0m s HIS 103 Ca 0.11 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.76 2k0m s HIS 103 Cb -0.15 -2.50 0.00 0.00 -0.13 0.00 0.00 32.58 29.79 2k0m s HIS 103 CO -0.15 0.45 0.00 -2.39 -2.47 0.00 0.00 174.74 170.18