#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc h THR 10 N 0.00 0.08 0.14 3.41 1.03 -2.07 0.30 112.91 115.80 2kjc h THR 10 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2kjc h THR 10 Cb 0.00 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.38 2kjc h THR 10 CO 0.00 0.00 -0.07 0.44 -0.01 0.00 0.00 175.52 175.88 2kjc h ASP 11 N 0.00 -0.16 -0.62 0.00 3.32 -2.07 -3.23 116.42 113.66 2kjc h ASP 11 Ca 0.18 -0.25 0.15 0.00 0.02 0.00 0.00 57.03 57.12 2kjc h ASP 11 Cb 1.73 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.29 2kjc h ASP 11 CO -0.00 0.41 0.43 0.74 -1.72 0.00 0.00 179.24 179.10 2kjc h THR 12 N -0.99 0.77 0.26 0.35 2.02 -0.96 -2.14 112.91 112.23 2kjc h THR 12 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2kjc h THR 12 Cb 0.40 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2kjc h THR 12 CO 0.03 0.03 -0.52 0.25 0.37 0.00 0.00 175.52 175.68 2kjc h LEU 13 N 0.18 -1.52 -2.07 2.58 7.12 -1.07 -0.43 115.31 120.10 2kjc h LEU 13 Ca 0.30 0.15 0.06 0.00 0.13 0.00 0.00 57.88 58.51 2kjc h LEU 13 Cb 0.92 0.54 -0.01 0.00 -0.53 0.00 0.00 40.66 41.58 2kjc h LEU 13 CO -0.05 -0.60 0.34 -0.33 -0.13 0.00 0.00 178.44 177.67 2kjc h GLU 14 N -0.85 0.00 0.02 1.25 5.08 -1.41 0.15 114.58 118.83 2kjc h GLU 14 Ca -0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2kjc h GLU 14 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2kjc h GLU 14 CO -0.21 0.00 -0.99 0.00 -1.00 0.00 0.00 179.01 176.81 2kjc h ARG 15 N 0.00 0.44 -0.23 2.33 3.08 -1.06 -3.03 114.38 115.91 2kjc h ARG 15 Ca 0.09 -0.49 0.07 0.00 0.07 0.00 0.00 59.98 59.72 2kjc h ARG 15 Cb 0.78 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2kjc h ARG 15 CO -0.00 1.15 0.26 0.28 -1.07 0.00 0.00 179.97 180.59 2kjc h VAL 16 N 0.24 0.43 0.31 2.04 2.07 0.09 -2.07 116.25 119.34 2kjc h VAL 16 Ca -0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2kjc h VAL 16 Cb 1.64 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2kjc h VAL 16 CO 0.17 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 178.36 2kjc h THR 17 N 0.00 0.19 -1.70 2.57 2.02 -1.52 -3.24 112.91 111.23 2kjc h THR 17 Ca 0.11 -0.77 0.52 0.00 0.77 0.00 0.00 66.41 67.04 2kjc h THR 17 Cb 0.63 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.26 2kjc h THR 17 CO -0.00 0.05 1.18 1.21 0.37 0.00 0.00 175.52 178.33 2kjc n GLU 18 N -5.05 -0.01 0.27 6.66 4.07 -0.79 -0.36 120.64 125.43 2kjc n GLU 18 Ca -0.06 1.10 -0.12 0.00 -0.06 0.00 0.00 57.16 58.01 2kjc n GLU 18 Cb 0.20 -2.39 -0.06 0.00 -0.06 0.00 0.00 31.44 29.12 2kjc n GLU 18 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2kjc h ILE 19 N 0.00 0.00 0.71 6.31 2.04 -1.56 -0.84 117.51 124.17 2kjc h ILE 19 Ca 0.88 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.71 2kjc h ILE 19 Cb 3.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2kjc h ILE 19 CO -0.17 0.00 -0.36 -0.26 0.00 0.00 0.00 178.15 177.36 2kjc h PHE 20 N -0.76 -0.94 -1.20 1.37 0.04 -0.83 -2.15 116.94 112.48 2kjc h PHE 20 Ca -0.07 -0.02 0.36 0.00 2.80 0.00 0.00 57.97 61.05 2kjc h PHE 20 Cb 0.61 0.32 -0.11 0.00 2.20 0.00 0.00 35.95 38.96 2kjc h PHE 20 CO -0.05 -0.57 0.77 -0.22 -0.60 0.00 0.00 178.31 177.64 2kjc h LYS 21 N -0.98 0.20 0.00 1.51 1.63 -1.41 2.30 116.57 119.82 2kjc h LYS 21 Ca -0.10 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.61 2kjc h LYS 21 Cb 0.76 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2kjc h LYS 21 CO 0.15 0.13 -0.39 0.00 -3.45 0.00 0.00 179.45 175.89 2kjc h ALA 22 N 1.61 0.88 0.01 5.00 0.00 -0.74 -3.03 119.26 122.99 2kjc h ALA 22 Ca 0.72 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 2kjc h ALA 22 Cb 2.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 2kjc h ALA 22 CO -0.37 0.49 -1.13 1.25 0.00 0.00 0.00 179.25 179.49 2kjc h LEU 23 N 0.00 0.04 -8.13 0.00 7.12 0.43 -3.41 115.31 111.36 2kjc h LEU 23 Ca -0.00 -0.05 -0.39 0.00 0.13 0.00 0.00 57.88 57.56 2kjc h LEU 23 Cb 1.05 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.11 2kjc h LEU 23 CO 0.05 1.04 1.07 -0.83 -0.13 0.00 0.00 178.44 179.64 2kjc s GLY 24 N -4.77 0.51 -0.30 3.75 0.00 0.11 -4.38 107.32 102.25 2kjc s GLY 24 Ca -0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 44.72 42.70 2kjc s GLY 24 CO 0.83 3.28 0.70 0.99 0.00 0.00 0.00 173.10 178.89 2kjc s ASP 25 N 6.82 -1.05 0.44 1.64 1.01 -1.26 -4.96 116.67 119.30 2kjc s ASP 25 Ca 0.64 1.48 0.15 0.00 0.71 0.00 0.00 52.55 55.52 2kjc s ASP 25 Cb -0.03 2.07 1.06 0.00 1.01 0.00 0.00 42.92 47.02 2kjc s ASP 25 CO 0.01 -0.21 1.96 0.22 0.21 0.00 0.00 175.17 177.36 2kjc h TYR 26 N 7.74 0.42 0.06 4.23 5.03 -1.99 0.22 116.97 132.68 2kjc h TYR 26 Ca -0.20 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 2kjc h TYR 26 Cb 1.13 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.27 2kjc h TYR 26 CO 0.14 0.19 -0.03 -0.97 -1.32 0.00 0.00 178.16 176.18 2kjc h ASN 27 N 0.39 -0.07 -0.04 -2.11 -1.24 -1.96 -3.28 115.58 107.26 2kjc h ASN 27 Ca 0.30 -0.57 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 2kjc h ASN 27 Cb 0.66 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 2kjc h ASN 27 CO -0.08 0.61 -0.04 0.03 -1.29 0.00 0.00 177.43 176.65 2kjc h ARG 28 N -0.81 0.10 -1.02 6.67 2.47 -1.84 -3.21 114.38 116.75 2kjc h ARG 28 Ca -0.01 -0.05 0.29 0.00 -1.26 0.00 0.00 59.98 58.95 2kjc h ARG 28 Cb 0.64 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.83 2kjc h ARG 28 CO 0.01 0.55 0.61 0.97 0.56 0.00 0.00 179.97 182.66 2kjc h ILE 29 N -0.34 0.41 -0.16 2.04 6.09 -0.74 0.41 117.51 125.22 2kjc h ILE 29 Ca 0.01 -0.15 -0.13 0.00 -1.37 0.00 0.00 64.86 63.22 2kjc h ILE 29 Cb 0.53 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 2kjc h ILE 29 CO 0.01 0.08 -0.47 -0.09 -3.07 0.00 0.00 178.15 174.61 2kjc h ARG 30 N 0.42 0.41 -0.26 2.19 2.43 -1.61 -3.16 114.38 114.79 2kjc h ARG 30 Ca 0.69 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.57 2kjc h ARG 30 Cb 1.52 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2kjc h ARG 30 CO -0.51 0.79 -0.10 0.82 -1.51 0.00 0.00 179.97 179.46 2kjc h ILE 31 N 0.33 1.29 -0.84 1.20 2.04 -0.23 -2.85 117.51 118.45 2kjc h ILE 31 Ca 0.02 -1.16 0.19 0.00 1.00 0.00 0.00 64.86 64.91 2kjc h ILE 31 Cb 0.95 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 2kjc h ILE 31 CO 0.08 0.36 0.57 0.24 0.00 0.00 0.00 178.15 179.40 2kjc h MET 32 N 0.26 0.33 0.00 2.37 2.86 -1.26 0.26 114.93 119.75 2kjc h MET 32 Ca 0.06 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 2kjc h MET 32 Cb 0.60 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2kjc h MET 32 CO 0.03 0.22 -0.59 1.49 1.06 0.00 0.00 176.91 179.12 2kjc h GLU 33 N 0.34 0.00 0.17 1.72 4.81 -1.48 -1.89 114.58 118.26 2kjc h GLU 33 Ca 0.43 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2kjc h GLU 33 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2kjc h GLU 33 CO -0.13 0.59 -0.08 1.25 -0.73 0.00 0.00 179.01 179.91 2kjc h LEU 34 N 0.00 -0.20 -2.34 1.64 5.85 -0.39 -3.09 115.31 116.77 2kjc h LEU 34 Ca -0.01 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2kjc h LEU 34 Cb 1.08 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2kjc h LEU 34 CO 0.08 0.34 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.41 2kjc h LEU 35 N -1.01 0.00 0.10 2.25 4.07 -1.39 -2.31 115.31 117.01 2kjc h LEU 35 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2kjc h LEU 35 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2kjc h LEU 35 CO 0.04 0.04 -0.05 -1.28 -1.08 0.00 0.00 178.44 176.11 2kjc h SER 36 N 0.00 -0.11 -1.01 -0.43 0.87 -1.39 -3.03 113.55 108.44 2kjc h SER 36 Ca -0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 2kjc h SER 36 Cb 0.12 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.00 2kjc h SER 36 CO 0.01 -0.07 0.62 0.58 -0.53 0.00 0.00 176.83 177.43 2kjc h VAL 37 N -0.16 0.60 -1.71 2.23 2.07 -1.47 -3.42 116.25 114.39 2kjc h VAL 37 Ca -0.01 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2kjc h VAL 37 Cb 0.10 -0.06 -0.25 0.00 -1.52 0.00 0.00 31.29 29.57 2kjc h VAL 37 CO 0.02 0.11 0.30 -0.44 0.02 0.00 0.00 177.57 177.58 2kjc s SER 38 N -5.30 -0.61 1.09 0.57 0.01 -0.88 -5.14 113.70 103.44 2kjc s SER 38 Ca -0.10 1.06 -0.17 0.00 1.31 0.00 0.00 55.95 58.04 2kjc s SER 38 Cb 0.26 1.17 0.10 0.00 0.21 0.00 0.00 66.02 67.76 2kjc s SER 38 CO 0.80 -0.17 0.11 -0.62 0.41 0.00 0.00 173.24 173.76 2kjc n GLU 39 N 3.21 -1.37 -3.60 12.44 4.71 -1.15 -3.64 120.64 131.24 2kjc n GLU 39 Ca -0.16 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.16 56.45 2kjc n GLU 39 Cb 0.57 -1.74 -0.07 0.00 -1.01 0.00 0.00 31.44 29.19 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kjc s ALA 40 N -2.27 -1.49 0.60 0.62 0.00 -1.26 -4.86 121.76 113.10 2kjc s ALA 40 Ca 0.56 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 2kjc s ALA 40 Cb -0.14 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2kjc s ALA 40 CO 0.66 -0.33 0.88 -1.54 0.00 0.00 0.00 175.76 175.43 2kjc s SER 41 N -1.08 5.29 0.09 0.00 1.04 -1.26 -4.39 113.70 113.39 2kjc s SER 41 Ca -0.11 0.39 -0.32 0.00 0.48 0.00 0.00 55.95 56.40 2kjc s SER 41 Cb -0.02 -1.28 -0.15 0.00 0.10 0.00 0.00 66.02 64.68 2kjc s SER 41 CO 0.08 -1.21 1.61 0.58 0.98 0.00 0.00 173.24 175.28 2kjc h VAL 42 N -0.18 0.27 -0.11 5.02 2.07 -2.01 -2.38 116.25 118.93 2kjc h VAL 42 Ca -0.44 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2kjc h VAL 42 Cb 1.29 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kjc h VAL 42 CO 0.58 0.00 0.08 1.23 0.02 0.00 0.00 177.57 179.47 2kjc h GLY 43 N -0.79 0.05 2.00 2.17 0.00 -2.00 -0.85 103.07 103.66 2kjc h GLY 43 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2kjc h GLY 43 CO -0.01 0.02 -0.08 0.84 0.00 0.00 0.00 176.54 177.31 2kjc h HIS 44 N 0.05 0.00 0.01 5.60 6.17 -1.82 -2.57 115.15 122.60 2kjc h HIS 44 Ca 0.05 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.93 2kjc h HIS 44 Cb 0.13 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 2kjc h HIS 44 CO -0.00 0.08 -0.93 0.82 0.71 0.00 0.00 177.93 178.61 2kjc h ILE 45 N 0.00 1.59 -0.95 6.26 2.04 -0.92 -3.28 117.51 122.24 2kjc h ILE 45 Ca -0.00 -2.95 0.24 0.00 1.00 0.00 0.00 64.86 63.15 2kjc h ILE 45 Cb 0.41 2.64 -0.13 0.00 -0.74 0.00 0.00 36.82 39.00 2kjc h ILE 45 CO 0.01 0.85 0.50 -1.28 0.00 0.00 0.00 178.15 178.23 2kjc h SER 46 N 0.04 0.51 0.09 1.72 0.87 -1.48 0.96 113.55 116.25 2kjc h SER 46 Ca -0.03 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kjc h SER 46 Cb 1.61 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 2kjc h SER 46 CO 0.13 0.05 0.00 -0.74 -0.53 0.00 0.00 176.83 175.74 2kjc h HIS 47 N 0.49 0.00 0.00 2.24 -0.00 -1.71 2.20 115.15 118.37 2kjc h HIS 47 Ca 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.90 2kjc h HIS 47 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 2kjc h HIS 47 CO -0.07 0.00 -0.88 1.04 -0.00 0.00 0.00 177.93 178.02 2kjc n GLN 48 N -2.43 0.50 -0.04 5.26 1.13 0.33 -4.68 117.38 117.43 2kjc n GLN 48 Ca -0.01 0.45 -0.13 0.00 -1.94 0.00 0.00 57.00 55.37 2kjc n GLN 48 Cb 0.06 -1.63 -0.14 0.00 0.11 0.00 0.00 30.24 28.64 2kjc n GLN 48 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2kjc n LEU 49 N -4.53 1.29 -2.88 1.08 4.32 -0.90 -5.06 117.00 110.33 2kjc n LEU 49 Ca -0.16 0.22 -0.04 0.00 -0.02 0.00 0.00 56.01 56.01 2kjc n LEU 49 Cb 0.43 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2kjc n LEU 49 CO 0.14 0.57 -0.40 0.59 -1.22 0.00 0.00 177.39 177.07 2kjc n ASN 50 N -3.10 -7.60 -0.75 -1.43 3.02 0.74 -5.04 115.26 101.10 2kjc n ASN 50 Ca -0.27 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 2kjc n ASN 50 Cb 1.07 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 2kjc n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kjc n LEU 51 N 0.61 0.00 -4.69 3.41 -0.00 -1.26 -5.08 117.00 110.00 2kjc n LEU 51 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.60 2kjc n LEU 51 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 2kjc n LEU 51 CO 0.37 0.00 1.18 -0.55 -0.00 0.00 0.00 177.39 178.39 2kjc s SER 52 N -0.25 6.79 0.48 1.45 0.15 -1.26 -4.88 113.70 116.18 2kjc s SER 52 Ca 0.00 2.18 0.21 0.00 0.70 0.00 0.00 55.95 59.04 2kjc s SER 52 Cb 0.00 -2.56 1.23 0.00 -1.71 0.00 0.00 66.02 62.98 2kjc s SER 52 CO 0.00 -0.77 1.95 1.56 1.20 0.00 0.00 173.24 177.18 2kjc h GLN 53 N 8.07 0.20 0.00 5.44 4.20 -2.00 0.37 115.11 131.40 2kjc h GLN 53 Ca -0.38 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2kjc h GLN 53 Cb 1.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2kjc h GLN 53 CO 0.91 0.13 0.00 1.03 -0.67 0.00 0.00 178.83 180.24 2kjc h SER 54 N 0.21 0.00 -0.06 1.46 0.87 -2.00 -2.33 113.55 111.69 2kjc h SER 54 Ca 0.33 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.71 2kjc h SER 54 Cb 1.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2kjc h SER 54 CO -0.06 0.00 -0.67 -1.13 -0.53 0.00 0.00 176.83 174.44 2kjc h ASN 55 N 0.00 0.70 -0.29 6.23 -1.24 -0.62 -3.09 115.58 117.27 2kjc h ASN 55 Ca 0.00 -0.69 -0.14 0.00 0.71 0.00 0.00 56.30 56.18 2kjc h ASN 55 Cb 0.17 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 2kjc h ASN 55 CO 0.00 1.29 -0.35 0.58 -1.29 0.00 0.00 177.43 177.66 2kjc h VAL 56 N 0.17 1.30 -0.85 2.57 2.07 -1.50 -1.40 116.25 118.61 2kjc h VAL 56 Ca -0.07 -1.53 0.11 0.00 0.82 0.00 0.00 66.70 66.03 2kjc h VAL 56 Cb 1.34 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 2kjc h VAL 56 CO 0.14 0.49 0.55 -1.28 0.02 0.00 0.00 177.57 177.49 2kjc h SER 57 N 0.50 0.70 0.62 0.57 0.87 -1.57 0.39 113.55 115.63 2kjc h SER 57 Ca 0.04 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2kjc h SER 57 Cb 0.94 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2kjc h SER 57 CO 0.08 0.40 -1.12 0.45 -0.53 0.00 0.00 176.83 176.11 2kjc h HIS 58 N 0.77 0.44 0.45 2.24 -0.00 -1.44 -3.13 115.15 114.48 2kjc h HIS 58 Ca 0.40 -0.30 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2kjc h HIS 58 Cb 0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2kjc h HIS 58 CO -0.00 1.19 -0.22 0.37 -0.00 0.00 0.00 177.93 179.28 2kjc h GLN 59 N 0.10 -0.58 -0.98 2.45 4.15 -0.01 -2.99 115.11 117.24 2kjc h GLN 59 Ca -0.10 0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.63 2kjc h GLN 59 Cb 1.83 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 29.60 2kjc h GLN 59 CO 0.18 -0.39 0.69 1.25 -1.93 0.00 0.00 178.83 178.63 2kjc h LEU 60 N -1.08 0.13 -0.85 -2.39 5.85 -0.44 0.38 115.31 116.90 2kjc h LEU 60 Ca -0.06 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2kjc h LEU 60 Cb 0.46 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2kjc h LEU 60 CO 0.10 0.04 -0.20 0.50 -0.34 0.00 0.00 178.44 178.54 2kjc h LYS 61 N 0.12 0.64 -0.43 1.25 3.64 -1.54 -2.89 116.57 117.36 2kjc h LYS 61 Ca 0.49 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 2kjc h LYS 61 Cb 1.72 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 2kjc h LYS 61 CO -0.08 0.80 -0.21 1.25 -2.27 0.00 0.00 179.45 178.94 2kjc h LEU 62 N 0.57 0.87 -1.75 5.20 5.85 -0.10 -2.64 115.31 123.30 2kjc h LEU 62 Ca 0.09 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2kjc h LEU 62 Cb 0.65 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2kjc h LEU 62 CO 0.05 1.05 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.96 2kjc h LEU 63 N 0.75 0.00 -0.70 2.25 3.38 -1.31 -2.41 115.31 117.27 2kjc h LEU 63 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2kjc h LEU 63 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kjc h LEU 63 CO 0.06 0.17 -0.29 0.50 0.09 0.00 0.00 178.44 178.97 2kjc h LYS 64 N 0.00 0.69 -0.64 1.13 3.64 -1.27 -3.06 116.57 117.05 2kjc h LYS 64 Ca -0.00 -0.30 0.13 0.00 -1.27 0.00 0.00 60.65 59.21 2kjc h LYS 64 Cb 0.37 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.05 2kjc h LYS 64 CO 0.02 0.90 -0.16 0.77 -2.27 0.00 0.00 179.45 178.71 2kjc h SER 65 N 0.59 -0.60 0.10 4.20 0.02 -1.40 1.29 113.55 117.76 2kjc h SER 65 Ca 0.07 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kjc h SER 65 Cb 0.79 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kjc h SER 65 CO 0.06 -0.21 0.00 0.52 -1.14 0.00 0.00 176.83 176.06 2kjc n VAL 66 N -5.43 0.03 -1.59 2.27 0.31 -1.19 -4.86 118.33 107.88 2kjc n VAL 66 Ca 0.08 0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2kjc n VAL 66 Cb 0.33 -0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 32.60 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjc n HIS 67 N -1.06 -0.05 0.57 3.52 -0.00 0.44 -4.82 115.22 113.82 2kjc n HIS 67 Ca 0.19 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.44 2kjc n HIS 67 Cb 0.12 -3.19 0.33 0.00 -0.12 0.00 0.00 29.99 27.13 2kjc n HIS 67 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kjc n LEU 68 N -2.15 0.00 -4.10 0.27 4.77 -1.16 -4.71 117.00 109.91 2kjc n LEU 68 Ca -0.19 0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 2kjc n LEU 68 Cb 0.62 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2kjc n LEU 68 CO 0.28 -0.21 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.05 2kjc s VAL 69 N -2.86 0.50 -0.19 4.08 1.01 -1.26 -4.51 120.40 117.17 2kjc s VAL 69 Ca 0.09 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 2kjc s VAL 69 Cb 0.10 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.43 2kjc s VAL 69 CO 0.26 -0.68 0.42 -0.75 0.00 0.00 0.00 175.10 174.34 2kjc s LYS 70 N -2.81 0.35 0.41 2.72 2.20 -1.12 -4.83 119.74 116.65 2kjc s LYS 70 Ca 0.00 0.98 0.08 0.00 -0.36 0.00 0.00 55.97 56.67 2kjc s LYS 70 Cb -0.01 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2kjc s LYS 70 CO -0.03 -0.23 0.47 0.00 -0.36 0.00 0.00 175.35 175.20 2kjc s ALA 71 N 2.29 4.28 0.16 3.13 0.00 -1.26 -3.61 121.76 126.75 2kjc s ALA 71 Ca -0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.08 2kjc s ALA 71 Cb -0.11 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 2kjc s ALA 71 CO -0.13 -0.22 0.32 0.15 0.00 0.00 0.00 175.76 175.88 2kjc s LYS 72 N -4.23 1.15 -0.03 0.00 1.02 -1.18 -5.00 119.74 111.48 2kjc s LYS 72 Ca 0.51 -1.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 2kjc s LYS 72 Cb -0.07 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 2kjc s LYS 72 CO 0.30 -0.43 0.64 0.50 -0.92 0.00 0.00 175.35 175.45 2kjc s ARG 73 N -3.93 4.38 -0.26 1.68 3.52 -1.26 -3.44 118.95 119.64 2kjc s ARG 73 Ca 0.14 0.80 -0.02 0.00 -0.13 0.00 0.00 55.73 56.52 2kjc s ARG 73 Cb 0.03 -3.39 0.15 0.00 -1.56 0.00 0.00 34.95 30.18 2kjc s ARG 73 CO -0.02 0.24 0.42 -0.65 -0.81 0.00 0.00 175.30 174.48 2kjc s GLN 74 N 0.23 0.40 3.39 5.12 -0.21 -1.21 -5.01 119.66 122.37 2kjc s GLN 74 Ca 0.34 0.55 0.00 0.00 0.02 0.00 0.00 55.36 56.27 2kjc s GLN 74 Cb -0.18 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.56 2kjc s GLN 74 CO 0.18 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 2kjc n GLY 75 N 5.37 -0.09 1.32 3.09 0.00 -1.26 -3.55 105.19 110.07 2kjc n GLY 75 Ca -0.02 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 4.15 3.04 -4.16 1.61 1.13 -1.26 -4.93 117.38 116.96 2kjc n GLN 76 Ca 0.00 -2.36 -0.10 0.00 -1.94 0.00 0.00 57.00 52.60 2kjc n GLN 76 Cb 0.00 -1.70 -0.10 0.00 0.11 0.00 0.00 30.24 28.55 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kjc s SER 77 N -0.88 0.66 -0.16 1.08 0.15 -1.23 -5.15 113.70 108.16 2kjc s SER 77 Ca 0.43 -1.13 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 2kjc s SER 77 Cb 0.26 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2kjc s SER 77 CO 0.23 -0.63 0.18 -0.04 1.20 0.00 0.00 173.24 174.18 2kjc s MET 78 N -3.96 3.98 -0.05 5.44 -1.94 -1.26 -3.33 119.30 118.18 2kjc s MET 78 Ca 0.19 -0.11 0.05 0.00 -1.71 0.00 0.00 55.69 54.11 2kjc s MET 78 Cb 0.07 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 2kjc s MET 78 CO -0.01 0.44 -0.20 -1.50 -0.01 0.00 0.00 175.02 173.74 2kjc s ILE 79 N -0.08 2.54 -0.15 2.53 2.07 -1.22 -4.96 121.20 121.93 2kjc s ILE 79 Ca 0.12 -0.91 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 2kjc s ILE 79 Cb -0.12 -1.96 -0.04 0.00 0.13 0.00 0.00 42.46 40.47 2kjc s ILE 79 CO 0.01 0.58 0.10 -0.31 -1.91 0.00 0.00 174.94 173.41 2kjc s TYR 80 N -0.44 3.39 0.28 3.50 2.02 -1.26 -3.12 117.35 121.72 2kjc s TYR 80 Ca 0.05 0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 57.01 2kjc s TYR 80 Cb -0.12 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2kjc s TYR 80 CO 0.01 0.44 0.39 0.45 -1.57 0.00 0.00 175.55 175.27 2kjc s SER 81 N -0.30 0.46 0.59 2.29 0.15 -1.24 -4.11 113.70 111.54 2kjc s SER 81 Ca 0.10 -1.30 0.02 0.00 0.70 0.00 0.00 55.95 55.47 2kjc s SER 81 Cb -0.12 0.57 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 2kjc s SER 81 CO 0.01 -1.14 0.82 -0.76 1.20 0.00 0.00 173.24 173.38 2kjc s LEU 82 N -3.16 3.20 0.00 3.45 2.01 -1.26 -2.79 118.68 120.14 2kjc s LEU 82 Ca 0.30 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.21 2kjc s LEU 82 Cb 0.01 -2.47 0.00 0.00 0.01 0.00 0.00 46.19 43.74 2kjc s LEU 82 CO 0.15 -1.34 0.00 0.47 1.01 0.00 0.00 176.35 176.64 2kjc n ASP 83 N -2.43 0.00 0.00 2.29 8.00 -1.26 -4.71 116.55 118.44 2kjc n ASP 83 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2kjc n ASP 83 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kjc n ASP 84 N 0.00 0.00 -0.41 -2.24 8.00 -1.26 -4.98 116.55 115.66 2kjc n ASP 84 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 2kjc n ASP 84 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2kjc n ASP 84 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kjc n ILE 85 N 0.00 0.00 0.30 0.53 -5.35 -1.26 -4.47 119.36 109.11 2kjc n ILE 85 Ca 0.00 -0.41 0.16 0.00 -0.27 0.00 0.00 62.75 62.23 2kjc n ILE 85 Cb 0.00 1.22 0.92 0.00 -1.74 0.00 0.00 39.64 40.04 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 2kjc h HIS 86 N 2.03 0.00 0.08 4.28 3.86 -2.01 -1.81 115.15 121.58 2kjc h HIS 86 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 2kjc h HIS 86 Cb 0.52 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.02 2kjc h HIS 86 CO 0.00 0.02 -1.17 -0.39 0.86 0.00 0.00 177.93 177.25 2kjc h VAL 87 N 0.00 1.32 0.87 2.45 -1.51 -1.97 -3.09 116.25 114.31 2kjc h VAL 87 Ca -0.00 -2.47 -0.04 0.00 -1.23 0.00 0.00 66.70 62.96 2kjc h VAL 87 Cb 0.07 2.62 0.01 0.00 -2.13 0.00 0.00 31.29 31.85 2kjc h VAL 87 CO 0.00 0.75 -0.42 0.00 -1.23 0.00 0.00 177.57 176.68 2kjc h ALA 88 N 0.40 -1.17 -0.45 5.19 0.00 -1.63 -0.03 119.26 121.58 2kjc h ALA 88 Ca -0.16 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.57 2kjc h ALA 88 Cb 1.84 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 19.98 2kjc h ALA 88 CO 0.22 -1.10 -0.37 1.79 0.00 0.00 0.00 179.25 179.79 2kjc h THR 89 N -1.28 0.17 -0.01 0.00 1.35 -1.62 0.54 112.91 112.04 2kjc h THR 89 Ca -0.12 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2kjc h THR 89 Cb 0.90 0.17 -0.05 0.00 -1.73 0.00 0.00 68.15 67.44 2kjc h THR 89 CO 0.20 0.00 -0.27 -0.03 -0.25 0.00 0.00 175.52 175.17 2kjc h MET 90 N -0.26 -0.39 -0.71 4.72 -1.53 -1.52 0.56 114.93 115.80 2kjc h MET 90 Ca 0.17 0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.54 2kjc h MET 90 Cb 0.56 0.09 -0.07 0.00 -0.55 0.00 0.00 31.60 31.63 2kjc h MET 90 CO -0.59 -0.26 0.36 1.25 0.14 0.00 0.00 176.91 177.82 2kjc h LEU 91 N -0.40 0.49 0.54 3.39 5.85 0.09 -2.47 115.31 122.79 2kjc h LEU 91 Ca 0.07 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2kjc h LEU 91 Cb 0.49 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kjc h LEU 91 CO -0.24 0.29 -0.26 0.50 -0.34 0.00 0.00 178.44 178.38 2kjc h LYS 92 N 0.62 -0.70 -0.62 1.25 3.64 0.84 -2.86 116.57 118.75 2kjc h LYS 92 Ca 0.34 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.95 2kjc h LYS 92 Cb 0.33 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2kjc h LYS 92 CO -0.25 -0.39 0.81 1.96 -2.27 0.00 0.00 179.45 179.31 2kjc h GLN 93 N -0.96 0.00 0.16 1.90 1.08 0.37 -0.05 115.11 117.60 2kjc h GLN 93 Ca -0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2kjc h GLN 93 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2kjc h GLN 93 CO 0.12 0.00 -0.07 0.00 -0.95 0.00 0.00 178.83 177.93 2kjc h ALA 94 N 0.96 -0.36 0.00 3.87 0.00 -1.21 -3.04 119.26 119.48 2kjc h ALA 94 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kjc h ALA 94 Cb 1.92 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2kjc h ALA 94 CO -0.00 -0.34 0.00 0.97 0.00 0.00 0.00 179.25 179.87 2kjc h ILE 95 N -0.56 0.00 -0.03 0.00 2.10 -1.28 -0.21 117.51 117.53 2kjc h ILE 95 Ca -0.02 -0.01 -0.20 0.00 1.08 0.00 0.00 64.86 65.71 2kjc h ILE 95 Cb 0.16 0.62 -0.00 0.00 -1.09 0.00 0.00 36.82 36.51 2kjc h ILE 95 CO 0.04 0.00 -0.82 -0.74 -1.08 0.00 0.00 178.15 175.54 2kjc h HIS 96 N 0.00 0.47 0.00 2.19 2.76 -1.08 -3.07 115.15 116.43 2kjc h HIS 96 Ca 0.00 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 2kjc h HIS 96 Cb 0.01 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2kjc h HIS 96 CO 0.00 1.02 -0.28 1.25 -1.30 0.00 0.00 177.93 178.62 2kjc h HIS 97 N 0.21 0.00 -0.41 5.26 -0.00 -0.92 -3.31 115.15 115.98 2kjc h HIS 97 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2kjc h HIS 97 Cb 1.43 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.82 2kjc h HIS 97 CO 0.04 0.00 0.27 0.00 -0.00 0.00 0.00 177.93 178.24 2kjc h ALA 98 N 2.41 1.75 -1.32 5.26 0.00 -1.35 -3.40 119.26 122.60 2kjc h ALA 98 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kjc h ALA 98 Cb 0.80 -0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.20 2kjc h ALA 98 CO 0.00 0.22 -0.37 -0.80 0.00 0.00 0.00 179.25 178.30 2kjc s ASN 99 N -6.66 -0.79 0.45 0.00 -0.87 -1.25 -5.13 114.94 100.70 2kjc s ASN 99 Ca -0.08 0.51 -0.21 0.00 -1.57 0.00 0.00 52.86 51.51 2kjc s ASN 99 Cb 0.18 1.76 -0.10 0.00 -0.02 0.00 0.00 41.25 43.06 2kjc s ASN 99 CO 0.73 -0.28 0.98 -1.00 -2.57 0.00 0.00 177.10 174.96 2kjc s HIS 100 N 2.74 3.20 -0.83 2.20 3.76 -1.26 -4.93 115.29 120.16 2kjc s HIS 100 Ca 0.16 1.60 -0.25 0.00 -0.15 0.00 0.00 55.06 56.42 2kjc s HIS 100 Cb -0.14 -2.93 0.01 0.00 1.11 0.00 0.00 32.58 30.63 2kjc s HIS 100 CO -0.21 -0.37 1.59 -1.25 -0.85 0.00 0.00 174.74 173.65 2kjc s PRO 101 N -3.20 3.07 -0.29 8.40 0.04 -1.26 -4.88 135.00 136.87 2kjc s PRO 101 Ca 0.64 -0.35 -0.18 0.00 0.04 0.00 0.00 61.00 61.15 2kjc s PRO 101 Cb -0.12 -4.77 0.16 0.00 0.04 0.00 0.00 34.50 29.82 2kjc s PRO 101 CO 0.15 -2.54 1.08 0.21 0.04 0.00 0.00 177.00 175.94 2kjc s LYS 102 N 6.03 0.30 0.00 4.56 2.20 -1.26 -5.33 119.74 126.25 2kjc s LYS 102 Ca 0.52 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 2kjc s LYS 102 Cb -0.06 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2kjc s LYS 102 CO 0.05 -0.06 0.00 -1.91 -0.36 0.00 0.00 175.35 173.08