#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc n THR 10 N 0.00 0.79 0.14 -0.44 -2.24 -1.26 -1.29 114.28 109.98 2kjc n THR 10 Ca 0.00 0.30 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 2kjc n THR 10 Cb 0.00 -1.30 0.60 0.00 -2.10 0.00 0.00 70.33 67.53 2kjc n THR 10 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kjc h ASP 11 N 0.00 0.11 -0.26 3.42 5.19 -2.07 -0.99 116.42 121.82 2kjc h ASP 11 Ca 0.00 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2kjc h ASP 11 Cb 0.19 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 2kjc h ASP 11 CO 0.00 0.08 -0.49 0.00 -3.12 0.00 0.00 179.24 175.70 2kjc h THR 12 N 0.13 1.28 -0.28 0.35 1.03 -1.66 -2.90 112.91 110.86 2kjc h THR 12 Ca 0.09 -1.68 0.08 0.00 -0.01 0.00 0.00 66.41 64.89 2kjc h THR 12 Cb 0.20 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 2kjc h THR 12 CO -0.01 0.55 0.25 0.25 -0.01 0.00 0.00 175.52 176.55 2kjc h LEU 13 N 0.66 0.00 0.49 0.00 5.85 -1.37 -2.84 115.31 118.09 2kjc h LEU 13 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kjc h LEU 13 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2kjc h LEU 13 CO 0.11 0.00 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.89 2kjc h GLU 14 N 0.00 -0.63 -0.07 1.25 4.22 -1.38 -3.24 114.58 114.72 2kjc h GLU 14 Ca 0.13 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.64 2kjc h GLU 14 Cb 0.63 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kjc h GLU 14 CO -0.00 -0.42 0.34 0.07 -2.18 0.00 0.00 179.01 176.81 2kjc h ARG 15 N -1.05 0.00 -0.57 1.92 0.11 -1.56 -2.62 114.38 110.61 2kjc h ARG 15 Ca -0.07 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.13 2kjc h ARG 15 Cb 0.50 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.47 2kjc h ARG 15 CO 0.11 0.00 -0.16 0.28 0.10 0.00 0.00 179.97 180.31 2kjc h VAL 16 N 0.00 0.41 -0.97 0.08 2.07 -1.57 0.12 116.25 116.39 2kjc h VAL 16 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2kjc h VAL 16 Cb 0.71 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2kjc h VAL 16 CO -0.00 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.23 2kjc h THR 17 N -0.01 1.24 -0.04 2.57 1.03 -1.67 -0.98 112.91 115.04 2kjc h THR 17 Ca 0.27 -0.45 0.01 0.00 -0.01 0.00 0.00 66.41 66.24 2kjc h THR 17 Cb 0.43 -0.18 -0.00 0.00 -1.07 0.00 0.00 68.15 67.33 2kjc h THR 17 CO -0.60 0.24 0.24 -0.33 -0.01 0.00 0.00 175.52 175.06 2kjc h GLU 18 N 1.30 0.00 0.00 0.00 4.39 -1.13 -2.91 114.58 116.23 2kjc h GLU 18 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2kjc h GLU 18 Cb -0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2kjc h GLU 18 CO -0.08 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 176.88 2kjc n ILE 19 N -3.06 0.00 -0.12 3.13 5.41 -0.37 -3.01 119.36 121.34 2kjc n ILE 19 Ca -0.02 1.00 -0.07 0.00 1.00 0.00 0.00 62.75 64.66 2kjc n ILE 19 Cb 0.30 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.20 2kjc n ILE 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2kjc h PHE 20 N 0.00 -1.00 -1.03 1.39 0.04 -1.60 0.43 116.94 115.17 2kjc h PHE 20 Ca 0.00 0.05 0.37 0.00 2.80 0.00 0.00 57.97 61.20 2kjc h PHE 20 Cb 0.00 0.48 -0.16 0.00 2.20 0.00 0.00 35.95 38.47 2kjc h PHE 20 CO 0.11 -0.26 0.58 -0.22 -0.60 0.00 0.00 178.31 177.93 2kjc h LYS 21 N -0.16 0.16 0.00 1.51 3.64 -1.71 1.19 116.57 121.20 2kjc h LYS 21 Ca 0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kjc h LYS 21 Cb 0.31 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2kjc h LYS 21 CO -0.39 0.11 -0.15 0.00 -2.27 0.00 0.00 179.45 176.74 2kjc h ALA 22 N 1.89 1.62 -0.66 5.00 0.00 -0.82 -1.67 119.26 124.62 2kjc h ALA 22 Ca 0.79 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 2kjc h ALA 22 Cb 2.00 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 2kjc h ALA 22 CO -0.66 0.19 0.15 1.28 0.00 0.00 0.00 179.25 180.21 2kjc n LEU 23 N -4.17 5.92 0.00 0.00 4.32 0.41 -4.71 117.00 118.76 2kjc n LEU 23 Ca -0.02 -3.11 0.00 0.00 -0.02 0.00 0.00 56.01 52.86 2kjc n LEU 23 Cb 0.23 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 2kjc n LEU 23 CO 0.34 0.73 0.37 0.61 -1.22 0.00 0.00 177.39 178.23 2kjc n GLY 24 N 0.16 -2.85 3.50 -0.72 0.00 -0.63 -4.70 105.19 99.96 2kjc n GLY 24 Ca 0.35 0.13 -0.47 0.00 0.00 0.00 0.00 46.02 46.03 2kjc n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kjc n ASP 25 N -1.36 0.10 -0.15 1.61 2.03 -1.26 -4.87 116.55 112.64 2kjc n ASP 25 Ca 0.00 1.15 -0.11 0.00 0.52 0.00 0.00 54.79 56.35 2kjc n ASP 25 Cb 0.00 -1.11 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2kjc h TYR 26 N 1.78 1.08 -1.19 -0.67 -0.00 -2.00 -3.01 116.97 112.95 2kjc h TYR 26 Ca -0.36 -0.26 0.35 0.00 -0.00 0.00 0.00 58.73 58.47 2kjc h TYR 26 Cb 1.39 -0.25 -0.10 0.00 -0.00 0.00 0.00 36.73 37.76 2kjc h TYR 26 CO 0.46 1.06 0.78 -0.97 -0.00 0.00 0.00 178.16 179.50 2kjc h ASN 27 N 0.78 0.31 -0.08 0.10 -1.24 -1.96 0.81 115.58 114.30 2kjc h ASN 27 Ca 0.11 0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 2kjc h ASN 27 Cb 0.76 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.86 2kjc h ASN 27 CO 0.06 -0.04 -0.19 0.03 -1.29 0.00 0.00 177.43 176.00 2kjc h ARG 28 N 0.22 0.47 0.00 6.67 3.08 -1.89 -2.60 114.38 120.32 2kjc h ARG 28 Ca 0.70 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.51 2kjc h ARG 28 Cb 2.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.09 2kjc h ARG 28 CO -0.32 0.65 -0.39 0.82 -1.07 0.00 0.00 179.97 179.66 2kjc h ILE 29 N 0.43 1.12 0.20 2.04 1.08 0.53 -3.10 117.51 119.82 2kjc h ILE 29 Ca 0.07 -1.41 -0.32 0.00 -0.39 0.00 0.00 64.86 62.81 2kjc h ILE 29 Cb 0.58 1.79 0.03 0.00 -3.07 0.00 0.00 36.82 36.15 2kjc h ILE 29 CO 0.04 0.38 -1.39 -0.09 -0.69 0.00 0.00 178.15 176.41 2kjc h ARG 30 N 0.00 0.48 -0.22 2.37 2.43 -1.25 -3.07 114.38 115.12 2kjc h ARG 30 Ca -0.00 -0.79 0.06 0.00 -0.81 0.00 0.00 59.98 58.44 2kjc h ARG 30 Cb 0.76 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2kjc h ARG 30 CO 0.05 1.37 0.22 0.82 -1.51 0.00 0.00 179.97 180.92 2kjc h ILE 31 N 0.15 0.56 0.08 1.20 2.04 -1.40 0.85 117.51 120.99 2kjc h ILE 31 Ca -0.21 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.38 2kjc h ILE 31 Cb 2.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2kjc h ILE 31 CO 0.25 0.00 -1.29 -0.03 0.00 0.00 0.00 178.15 177.08 2kjc h MET 32 N 0.00 0.17 -0.31 2.37 4.05 -1.55 -3.08 114.93 116.58 2kjc h MET 32 Ca 0.11 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 2kjc h MET 32 Cb 0.54 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2kjc h MET 32 CO -0.00 1.07 0.11 1.49 0.23 0.00 0.00 176.91 179.81 2kjc h GLU 33 N 0.05 0.48 0.21 0.39 4.81 -0.75 0.24 114.58 120.01 2kjc h GLU 33 Ca -0.14 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2kjc h GLU 33 Cb 1.93 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.24 2kjc h GLU 33 CO 0.16 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 180.10 2kjc h LEU 34 N 0.35 -0.23 -1.79 1.64 7.12 -1.54 -3.13 115.31 117.74 2kjc h LEU 34 Ca 0.10 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 2kjc h LEU 34 Cb 0.22 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2kjc h LEU 34 CO -0.01 0.19 -0.13 0.25 -0.13 0.00 0.00 178.44 178.62 2kjc h LEU 35 N -0.71 0.00 0.05 2.25 5.85 -1.57 -3.21 115.31 117.97 2kjc h LEU 35 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kjc h LEU 35 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2kjc h LEU 35 CO 0.05 0.13 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.95 2kjc h SER 36 N 0.00 -0.13 -0.64 1.25 0.87 -0.45 -2.78 113.55 111.68 2kjc h SER 36 Ca -0.00 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 2kjc h SER 36 Cb 0.23 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2kjc h SER 36 CO 0.02 -0.06 0.49 1.62 -0.53 0.00 0.00 176.83 178.36 2kjc h VAL 37 N -0.10 0.59 -1.99 2.23 3.04 -1.59 -3.42 116.25 115.02 2kjc h VAL 37 Ca -0.01 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2kjc h VAL 37 Cb 0.08 0.65 -0.20 0.00 -2.01 0.00 0.00 31.29 29.81 2kjc h VAL 37 CO -0.00 0.00 0.17 -0.55 -1.01 0.00 0.00 177.57 176.18 2kjc s SER 38 N -5.81 -0.69 0.62 3.17 0.15 -1.05 -5.16 113.70 104.92 2kjc s SER 38 Ca -0.05 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 2kjc s SER 38 Cb 0.19 0.96 -0.02 0.00 -1.71 0.00 0.00 66.02 65.44 2kjc s SER 38 CO 0.71 -0.44 1.07 -1.61 1.20 0.00 0.00 173.24 174.17 2kjc s GLU 39 N -0.46 3.18 0.01 5.44 0.41 -1.21 -3.95 118.70 122.12 2kjc s GLU 39 Ca -0.06 1.22 -0.25 0.00 -0.41 0.00 0.00 54.97 55.47 2kjc s GLU 39 Cb -0.02 -2.01 0.06 0.00 -1.78 0.00 0.00 34.13 30.37 2kjc s GLU 39 CO 0.06 -0.93 0.57 0.00 -0.49 0.00 0.00 175.26 174.47 2kjc s ALA 40 N -2.49 -1.47 0.56 5.21 0.00 -1.26 -5.02 121.76 117.30 2kjc s ALA 40 Ca 0.64 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 53.39 2kjc s ALA 40 Cb -0.17 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2kjc s ALA 40 CO 0.39 -0.45 0.86 0.45 0.00 0.00 0.00 175.76 177.02 2kjc s SER 41 N -1.66 5.77 0.25 0.00 0.15 -1.26 -4.03 113.70 112.93 2kjc s SER 41 Ca -0.08 0.75 -0.04 0.00 0.70 0.00 0.00 55.95 57.28 2kjc s SER 41 Cb -0.01 -1.83 0.51 0.00 -1.71 0.00 0.00 66.02 62.97 2kjc s SER 41 CO 0.03 -0.92 1.66 1.62 1.20 0.00 0.00 173.24 176.82 2kjc h VAL 42 N -0.05 0.41 -0.68 4.45 3.04 -1.97 -0.38 116.25 121.07 2kjc h VAL 42 Ca -0.46 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.09 2kjc h VAL 42 Cb 1.24 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 2kjc h VAL 42 CO 0.61 0.04 0.13 1.23 -1.01 0.00 0.00 177.57 178.56 2kjc h GLY 43 N 0.20 1.19 1.46 3.17 0.00 -1.95 -2.56 103.07 104.58 2kjc h GLY 43 Ca 0.44 -0.77 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 2kjc h GLY 43 CO -0.59 0.71 -0.79 0.45 0.00 0.00 0.00 176.54 176.32 2kjc h HIS 44 N 1.04 0.71 0.00 5.60 -0.00 -1.49 -3.07 115.15 117.94 2kjc h HIS 44 Ca 0.21 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2kjc h HIS 44 Cb 0.41 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2kjc h HIS 44 CO 0.03 1.12 0.00 1.51 -0.00 0.00 0.00 177.93 180.59 2kjc n ILE 45 N -3.85 0.59 -0.19 2.45 3.06 -0.42 -3.55 119.36 117.45 2kjc n ILE 45 Ca -0.06 -0.08 -0.03 0.00 -2.50 0.00 0.00 62.75 60.09 2kjc n ILE 45 Cb 0.75 -0.75 0.08 0.00 0.54 0.00 0.00 39.64 40.26 2kjc n ILE 45 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2kjc h SER 46 N 0.00 0.34 0.00 9.51 0.02 -1.35 0.67 113.55 122.74 2kjc h SER 46 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kjc h SER 46 Cb 0.58 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2kjc h SER 46 CO 0.00 0.22 0.04 0.00 -1.14 0.00 0.00 176.83 175.95 2kjc n HIS 47 N -4.91 0.17 -0.00 3.45 1.44 -1.23 0.79 115.22 114.92 2kjc n HIS 47 Ca 0.06 0.09 -0.17 0.00 -2.01 0.00 0.00 57.72 55.69 2kjc n HIS 47 Cb 0.19 -0.61 -0.10 0.00 0.12 0.00 0.00 29.99 29.59 2kjc n HIS 47 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2kjc h GLN 48 N 0.00 0.55 0.00 -1.40 -0.00 -1.08 -3.34 115.11 109.84 2kjc h GLN 48 Ca 0.00 -0.52 -0.35 0.00 -0.00 0.00 0.00 58.65 57.78 2kjc h GLN 48 Cb 0.07 0.13 -0.06 0.00 0.00 0.00 0.00 27.48 27.62 2kjc h GLN 48 CO 0.00 1.15 -2.18 1.28 0.00 0.00 0.00 178.83 179.08 2kjc n LEU 49 N -4.12 0.49 -3.36 -2.39 4.77 -0.27 -5.03 117.00 107.08 2kjc n LEU 49 Ca -0.09 0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 2kjc n LEU 49 Cb 0.70 0.28 0.04 0.00 -2.33 0.00 0.00 43.42 42.11 2kjc n LEU 49 CO 0.49 0.50 0.06 0.59 -1.33 0.00 0.00 177.39 177.70 2kjc n ASN 50 N -2.89 -6.45 -0.30 -1.43 3.02 0.24 -5.01 115.26 102.44 2kjc n ASN 50 Ca -0.29 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2kjc n ASN 50 Cb 1.12 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2kjc n LEU 51 N -3.11 0.00 -4.70 3.41 4.77 -1.26 -5.08 117.00 111.03 2kjc n LEU 51 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2kjc n LEU 51 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2kjc n LEU 51 CO 0.60 0.00 1.05 -0.55 -1.33 0.00 0.00 177.39 177.16 2kjc s SER 52 N 0.51 6.91 0.59 -1.43 0.15 -1.26 -4.86 113.70 114.31 2kjc s SER 52 Ca 0.00 2.09 0.25 0.00 0.70 0.00 0.00 55.95 58.99 2kjc s SER 52 Cb 0.00 -2.57 1.38 0.00 -1.71 0.00 0.00 66.02 63.12 2kjc s SER 52 CO 0.00 -0.65 1.76 0.06 1.20 0.00 0.00 173.24 175.61 2kjc h GLN 53 N 7.44 0.00 0.00 5.44 3.07 -1.98 0.76 115.11 129.84 2kjc h GLN 53 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.35 2kjc h GLN 53 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 2kjc h GLN 53 CO 0.88 0.00 -0.01 0.66 0.09 0.00 0.00 178.83 180.45 2kjc h SER 54 N 0.00 0.00 -0.11 0.06 4.64 -2.00 -2.99 113.55 113.16 2kjc h SER 54 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2kjc h SER 54 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2kjc h SER 54 CO 0.00 0.01 -0.42 -1.13 -0.87 0.00 0.00 176.83 174.42 2kjc h ASN 55 N 0.00 0.55 -0.01 4.97 -1.24 0.19 -2.90 115.58 117.14 2kjc h ASN 55 Ca -0.00 -0.62 -0.23 0.00 0.71 0.00 0.00 56.30 56.15 2kjc h ASN 55 Cb 0.95 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.85 2kjc h ASN 55 CO 0.00 1.08 -0.86 1.62 -1.29 0.00 0.00 177.43 177.98 2kjc h VAL 56 N 0.05 1.30 -0.95 2.57 3.04 -1.63 -2.74 116.25 117.90 2kjc h VAL 56 Ca -0.02 -2.11 -0.00 0.00 -1.01 0.00 0.00 66.70 63.56 2kjc h VAL 56 Cb 1.05 2.15 -0.05 0.00 -2.01 0.00 0.00 31.29 32.43 2kjc h VAL 56 CO 0.09 0.66 0.59 0.77 -1.01 0.00 0.00 177.57 178.67 2kjc h SER 57 N 0.44 1.12 -0.02 3.17 4.64 -1.61 0.19 113.55 121.48 2kjc h SER 57 Ca -0.07 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.99 2kjc h SER 57 Cb 1.49 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2kjc h SER 57 CO 0.17 0.84 -0.74 0.45 -0.87 0.00 0.00 176.83 176.68 2kjc h HIS 58 N 1.30 0.90 -0.05 4.77 -0.00 -1.55 -3.07 115.15 117.45 2kjc h HIS 58 Ca 0.34 -0.39 -0.16 0.00 -0.00 0.00 0.00 60.37 60.16 2kjc h HIS 58 Cb -0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2kjc h HIS 58 CO 0.00 1.20 -0.68 1.96 -0.00 0.00 0.00 177.93 180.41 2kjc h GLN 59 N 0.46 0.23 -0.27 2.45 1.08 -1.15 -3.15 115.11 114.76 2kjc h GLN 59 Ca -0.04 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 56.88 2kjc h GLN 59 Cb 1.35 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2kjc h GLN 59 CO 0.15 0.82 -0.24 1.25 -0.95 0.00 0.00 178.83 179.86 2kjc h LEU 60 N 0.16 0.53 -0.84 1.46 5.85 -0.65 -2.81 115.31 119.00 2kjc h LEU 60 Ca -0.02 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2kjc h LEU 60 Cb 1.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2kjc h LEU 60 CO 0.10 0.76 -0.23 0.50 -0.34 0.00 0.00 178.44 179.24 2kjc h LYS 61 N 0.46 0.60 -0.53 1.25 3.64 -1.50 -2.65 116.57 117.85 2kjc h LYS 61 Ca 0.07 -0.23 0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2kjc h LYS 61 Cb 0.67 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2kjc h LYS 61 CO 0.05 0.79 0.36 1.25 -2.27 0.00 0.00 179.45 179.63 2kjc h LEU 62 N 0.53 0.27 -0.55 5.20 5.85 -1.46 0.76 115.31 125.91 2kjc h LEU 62 Ca 0.08 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2kjc h LEU 62 Cb 0.68 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2kjc h LEU 62 CO 0.05 0.16 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.83 2kjc h LEU 63 N 0.30 0.00 -0.36 2.25 3.38 -1.49 -2.93 115.31 116.47 2kjc h LEU 63 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kjc h LEU 63 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kjc h LEU 63 CO -0.06 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.18 2kjc n LYS 64 N -3.37 0.10 0.14 1.13 5.02 0.25 -2.43 118.16 119.00 2kjc n LYS 64 Ca 0.01 0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 56.49 2kjc n LYS 64 Cb 0.60 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.83 2kjc n LYS 64 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2kjc h SER 65 N 0.00 -1.37 -0.40 4.39 0.02 -1.48 -1.65 113.55 113.07 2kjc h SER 65 Ca 0.00 0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 2kjc h SER 65 Cb 0.31 0.49 -0.10 0.00 0.14 0.00 0.00 62.40 63.23 2kjc h SER 65 CO 0.00 -0.52 0.22 1.33 -1.14 0.00 0.00 176.83 176.72 2kjc n VAL 66 N -5.12 1.79 -2.88 2.27 0.24 -1.23 -4.84 118.33 108.57 2kjc n VAL 66 Ca -0.08 -0.79 -0.20 0.00 -2.04 0.00 0.00 64.34 61.22 2kjc n VAL 66 Cb 0.37 -0.68 0.01 0.00 -1.47 0.00 0.00 33.84 32.08 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kjc n HIS 67 N -0.11 -1.65 0.37 6.34 -0.00 -0.62 -4.83 115.22 114.73 2kjc n HIS 67 Ca 0.23 0.31 0.13 0.00 -0.00 0.00 0.00 57.72 58.40 2kjc n HIS 67 Cb 0.94 -3.69 0.54 0.00 -0.00 0.00 0.00 29.99 27.78 2kjc n HIS 67 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjc h LEU 68 N -0.77 0.00 -8.22 2.41 5.85 -1.69 -3.45 115.31 109.45 2kjc h LEU 68 Ca -0.45 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 2kjc h LEU 68 Cb 1.32 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.19 2kjc h LEU 68 CO 0.52 0.00 -0.68 -0.69 -0.34 0.00 0.00 178.44 177.25 2kjc s VAL 69 N -3.41 0.21 -0.01 1.05 1.01 -1.26 -4.21 120.40 113.79 2kjc s VAL 69 Ca 0.04 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.33 2kjc s VAL 69 Cb 0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2kjc s VAL 69 CO 0.45 -0.95 -0.11 -0.75 0.00 0.00 0.00 175.10 173.73 2kjc s LYS 70 N -3.68 0.92 -0.20 2.72 2.20 -1.23 -4.84 119.74 115.62 2kjc s LYS 70 Ca 0.05 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2kjc s LYS 70 Cb 0.06 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 2kjc s LYS 70 CO -0.09 0.24 0.09 0.00 -0.36 0.00 0.00 175.35 175.23 2kjc s ALA 71 N -0.29 3.46 -0.24 3.13 0.00 -1.26 -3.18 121.76 123.38 2kjc s ALA 71 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2kjc s ALA 71 Cb -0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2kjc s ALA 71 CO -0.00 0.05 0.09 0.21 0.00 0.00 0.00 175.76 176.11 2kjc s LYS 72 N 0.60 3.78 -0.18 0.00 2.36 -1.13 -5.05 119.74 120.12 2kjc s LYS 72 Ca 0.05 -0.42 -0.25 0.00 -2.55 0.00 0.00 55.97 52.80 2kjc s LYS 72 Cb -0.13 -3.37 -0.02 0.00 -1.05 0.00 0.00 37.83 33.27 2kjc s LYS 72 CO 0.01 -0.09 0.81 1.03 1.55 0.00 0.00 175.35 178.65 2kjc s ARG 73 N 1.39 4.28 -0.24 4.03 0.52 -1.26 -3.43 118.95 124.24 2kjc s ARG 73 Ca 0.06 0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 56.23 2kjc s ARG 73 Cb -0.15 -3.58 0.07 0.00 0.52 0.00 0.00 34.95 31.81 2kjc s ARG 73 CO 0.05 -0.32 -0.00 -0.65 0.02 0.00 0.00 175.30 174.39 2kjc s GLN 74 N 2.14 1.22 1.33 3.54 -1.52 -1.17 -5.00 119.66 120.20 2kjc s GLN 74 Ca 0.37 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.89 2kjc s GLN 74 Cb -0.16 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 2kjc s GLN 74 CO 0.12 -0.68 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 2kjc n GLY 75 N 4.78 0.22 0.00 3.09 0.00 -1.26 -0.97 105.19 111.05 2kjc n GLY 75 Ca -0.09 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2kjc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjc n GLN 76 N 0.00 0.25 -3.11 1.61 6.02 -1.26 -5.08 117.38 115.82 2kjc n GLN 76 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2kjc n GLN 76 Cb 0.00 -0.02 -0.05 0.00 1.02 0.00 0.00 30.24 31.19 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kjc s SER 77 N 0.00 6.97 -0.93 1.08 0.15 -0.14 -5.01 113.70 115.82 2kjc s SER 77 Ca 0.00 1.17 -0.17 0.00 0.70 0.00 0.00 55.95 57.65 2kjc s SER 77 Cb 0.00 -2.39 0.16 0.00 -1.71 0.00 0.00 66.02 62.08 2kjc s SER 77 CO 0.00 -0.03 1.05 -0.04 1.20 0.00 0.00 173.24 175.42 2kjc s MET 78 N 0.44 3.65 0.57 5.44 -1.94 -1.26 -3.06 119.30 123.15 2kjc s MET 78 Ca 0.35 -2.05 -0.08 0.00 -1.71 0.00 0.00 55.69 52.20 2kjc s MET 78 Cb -0.18 -4.79 -0.02 0.00 2.01 0.00 0.00 34.83 31.85 2kjc s MET 78 CO 0.18 -1.63 0.92 0.42 -0.01 0.00 0.00 175.02 174.90 2kjc s ILE 79 N 1.82 4.38 0.04 2.53 1.09 -1.22 -4.48 121.20 125.35 2kjc s ILE 79 Ca 0.29 0.38 0.01 0.00 -1.10 0.00 0.00 60.65 60.23 2kjc s ILE 79 Cb -0.06 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 2kjc s ILE 79 CO -0.09 -0.82 -0.05 -0.31 -0.10 0.00 0.00 174.94 173.58 2kjc s TYR 80 N -3.00 0.49 0.38 3.97 2.02 -1.26 -2.84 117.35 117.11 2kjc s TYR 80 Ca 0.52 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2kjc s TYR 80 Cb -0.11 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2kjc s TYR 80 CO 0.48 -0.17 0.59 0.45 -1.57 0.00 0.00 175.55 175.33 2kjc s SER 81 N -1.82 0.77 0.73 2.29 0.15 -1.19 -4.11 113.70 110.52 2kjc s SER 81 Ca -0.09 -1.46 -0.14 0.00 0.70 0.00 0.00 55.95 54.97 2kjc s SER 81 Cb -0.06 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2kjc s SER 81 CO -0.02 -1.47 1.15 -0.76 1.20 0.00 0.00 173.24 173.34 2kjc s LEU 82 N -3.21 3.26 0.13 3.45 1.43 -1.26 -3.57 118.68 118.91 2kjc s LEU 82 Ca 0.26 2.12 -0.09 0.00 -1.03 0.00 0.00 54.13 55.40 2kjc s LEU 82 Cb -0.02 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.57 2kjc s LEU 82 CO 0.19 -2.07 1.38 -0.78 0.23 0.00 0.00 176.35 175.29 2kjc h ASP 83 N -0.45 0.81 -1.56 2.29 3.58 -1.90 -3.41 116.42 115.78 2kjc h ASP 83 Ca -0.46 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.47 2kjc h ASP 83 Cb 1.26 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2kjc h ASP 83 CO 0.51 1.28 0.06 0.47 -2.88 0.00 0.00 179.24 178.68 2kjc n ASP 84 N -3.93 -0.58 0.07 2.28 8.00 -1.26 -4.93 116.55 116.19 2kjc n ASP 84 Ca -0.06 -1.42 -0.07 0.00 0.71 0.00 0.00 54.79 53.96 2kjc n ASP 84 Cb 0.70 0.98 -0.10 0.00 -0.02 0.00 0.00 41.12 42.68 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2kjc h ILE 85 N 1.26 1.69 0.00 0.53 2.10 -2.03 -3.22 117.51 117.84 2kjc h ILE 85 Ca -0.09 -3.34 0.00 0.00 1.08 0.00 0.00 64.86 62.51 2kjc h ILE 85 Cb 0.32 2.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.86 2kjc h ILE 85 CO 0.11 0.95 0.08 0.45 -1.08 0.00 0.00 178.15 178.66 2kjc h HIS 86 N 0.00 0.00 -0.14 2.19 3.86 -2.01 -2.00 115.15 117.06 2kjc h HIS 86 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2kjc h HIS 86 Cb 1.73 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.20 2kjc h HIS 86 CO 0.00 0.00 -0.17 0.28 0.86 0.00 0.00 177.93 178.90 2kjc h VAL 87 N 0.00 1.36 0.00 2.45 2.07 -1.98 -3.00 116.25 117.15 2kjc h VAL 87 Ca 0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2kjc h VAL 87 Cb 0.16 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2kjc h VAL 87 CO 0.00 0.40 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2kjc n ALA 88 N -2.43 1.66 -0.01 1.67 0.00 -0.75 -3.07 120.51 117.57 2kjc n ALA 88 Ca -0.06 0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kjc n ALA 88 Cb 0.38 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 2kjc n ALA 88 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kjc h THR 89 N 0.00 0.00 -0.73 0.00 1.35 -1.54 -3.16 112.91 108.84 2kjc h THR 89 Ca 0.00 -0.45 0.15 0.00 -0.55 0.00 0.00 66.41 65.56 2kjc h THR 89 Cb 0.37 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.69 2kjc h THR 89 CO 0.00 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.48 2kjc h MET 90 N -0.47 0.30 0.50 4.72 -0.00 -1.60 -1.52 114.93 116.86 2kjc h MET 90 Ca -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.66 2kjc h MET 90 Cb 0.02 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.54 2kjc h MET 90 CO 0.00 0.20 -0.33 1.25 -0.00 0.00 0.00 176.91 178.03 2kjc h LEU 91 N 0.31 -0.86 0.10 -0.10 7.12 -1.71 -2.14 115.31 118.03 2kjc h LEU 91 Ca 0.40 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.48 2kjc h LEU 91 Cb 0.66 0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.02 2kjc h LEU 91 CO -0.47 -0.50 -0.40 0.50 -0.13 0.00 0.00 178.44 177.44 2kjc h LYS 92 N -0.79 -0.55 0.00 1.25 3.64 -1.45 -0.27 116.57 118.39 2kjc h LYS 92 Ca -0.07 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2kjc h LYS 92 Cb 0.64 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2kjc h LYS 92 CO 0.05 -0.37 0.38 0.37 -2.27 0.00 0.00 179.45 177.61 2kjc h GLN 93 N -0.58 0.00 0.52 1.90 -0.00 -1.33 -2.48 115.11 113.14 2kjc h GLN 93 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2kjc h GLN 93 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.06 2kjc h GLN 93 CO -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 178.83 178.37 2kjc h ALA 94 N 1.13 -0.96 0.00 3.38 0.00 -0.33 -2.45 119.26 120.03 2kjc h ALA 94 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kjc h ALA 94 Cb 0.77 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kjc h ALA 94 CO 0.00 -0.91 0.00 -0.84 0.00 0.00 0.00 179.25 177.50 2kjc h ILE 95 N -0.85 0.00 -0.04 0.00 3.07 -1.49 -2.04 117.51 116.17 2kjc h ILE 95 Ca -0.07 -0.15 -0.25 0.00 1.55 0.00 0.00 64.86 65.94 2kjc h ILE 95 Cb 0.54 0.91 0.02 0.00 -0.27 0.00 0.00 36.82 38.01 2kjc h ILE 95 CO 0.12 0.00 -0.97 0.45 -1.05 0.00 0.00 178.15 176.70 2kjc h HIS 96 N 0.00 1.01 0.11 0.16 3.86 -1.46 -2.53 115.15 116.30 2kjc h HIS 96 Ca 0.00 -0.52 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 2kjc h HIS 96 Cb 0.18 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2kjc h HIS 96 CO 0.00 1.36 -0.27 1.25 0.86 0.00 0.00 177.93 181.13 2kjc h HIS 97 N 0.42 -0.78 0.00 2.45 -0.00 -0.87 -3.18 115.15 113.20 2kjc h HIS 97 Ca -0.11 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2kjc h HIS 97 Cb 1.61 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 29.35 2kjc h HIS 97 CO 0.09 -0.32 0.00 0.00 -0.00 0.00 0.00 177.93 177.71 2kjc n ALA 98 N -2.66 -0.16 -1.90 5.26 0.00 -1.23 -3.44 120.51 116.38 2kjc n ALA 98 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 2kjc n ALA 98 Cb 0.22 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 2kjc n ALA 98 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kjc s ASN 99 N -2.49 4.60 0.13 0.00 0.01 -0.95 -4.74 114.94 111.50 2kjc s ASN 99 Ca 0.00 -0.87 -0.04 0.00 -0.71 0.00 0.00 52.86 51.25 2kjc s ASN 99 Cb 0.00 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 2kjc s ASN 99 CO 0.00 -3.37 1.31 -0.74 -1.51 0.00 0.00 177.10 172.79 2kjc h HIS 100 N 11.15 0.57 -1.98 2.20 2.76 -1.57 -3.41 115.15 124.88 2kjc h HIS 100 Ca 0.10 -0.31 -0.72 0.00 -2.20 0.00 0.00 60.37 57.24 2kjc h HIS 100 Cb 0.98 -0.06 -0.16 0.00 1.55 0.00 0.00 27.41 29.72 2kjc h HIS 100 CO 1.17 1.13 1.40 -1.25 -1.30 0.00 0.00 177.93 179.09 2kjc s PRO 101 N -3.26 3.98 -0.17 5.26 0.04 -1.26 -4.90 135.00 134.69 2kjc s PRO 101 Ca -0.05 -2.32 -0.32 0.00 0.04 0.00 0.00 61.00 58.35 2kjc s PRO 101 Cb 0.09 -5.12 0.14 0.00 0.04 0.00 0.00 34.50 29.65 2kjc s PRO 101 CO 0.86 -1.86 1.13 0.21 0.04 0.00 0.00 177.00 177.39 2kjc s LYS 102 N 2.25 0.42 0.00 4.56 2.20 -1.26 -5.25 119.74 122.66 2kjc s LYS 102 Ca 0.43 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2kjc s LYS 102 Cb -0.02 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2kjc s LYS 102 CO -0.01 -0.16 0.00 -0.85 -0.36 0.00 0.00 175.35 173.98