#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 0.00 -0.45 3.41 1.03 -2.06 0.56 112.91 115.39 2kjc h THR 10 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 2kjc h THR 10 Cb 0.00 0.25 -0.02 0.00 -1.07 0.00 0.00 68.15 67.31 2kjc h THR 10 CO 0.00 0.00 0.14 -0.78 -0.01 0.00 0.00 175.52 174.87 2kjc h ASP 11 N 0.00 0.66 0.60 0.00 3.58 -2.07 -2.98 116.42 116.21 2kjc h ASP 11 Ca 0.00 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2kjc h ASP 11 Cb 1.29 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 42.18 2kjc h ASP 11 CO 0.00 0.69 -0.29 0.71 -2.88 0.00 0.00 179.24 177.48 2kjc h THR 12 N 0.60 0.00 -0.27 2.25 1.35 -0.32 -2.90 112.91 113.61 2kjc h THR 12 Ca 0.15 -0.29 0.08 0.00 -0.55 0.00 0.00 66.41 65.79 2kjc h THR 12 Cb 0.27 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 2kjc h THR 12 CO -0.00 0.00 1.03 0.25 -0.25 0.00 0.00 175.52 176.55 2kjc h LEU 13 N -1.10 0.00 0.10 3.87 5.85 -1.60 0.64 115.31 123.07 2kjc h LEU 13 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kjc h LEU 13 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kjc h LEU 13 CO 0.13 0.00 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.11 2kjc h GLU 14 N 0.00 -0.13 0.00 1.25 4.81 -1.35 -3.27 114.58 115.89 2kjc h GLU 14 Ca 0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kjc h GLU 14 Cb 2.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.60 2kjc h GLU 14 CO -0.00 0.33 0.00 0.54 -0.73 0.00 0.00 179.01 179.15 2kjc n ARG 15 N -4.83 0.00 0.22 1.92 1.74 0.22 -2.41 116.66 113.52 2kjc n ARG 15 Ca -0.06 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 2kjc n ARG 15 Cb 0.25 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.68 2kjc n ARG 15 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kjc h VAL 16 N 0.00 1.05 0.00 1.55 2.07 -1.52 -2.55 116.25 116.84 2kjc h VAL 16 Ca 0.00 -0.90 -0.24 0.00 0.82 0.00 0.00 66.70 66.38 2kjc h VAL 16 Cb 0.10 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2kjc h VAL 16 CO 0.00 0.25 -1.41 0.00 0.02 0.00 0.00 177.57 176.43 2kjc h THR 17 N 0.00 1.03 -0.08 2.57 1.03 -1.68 -3.35 112.91 112.43 2kjc h THR 17 Ca -0.00 -2.77 -0.14 0.00 -0.01 0.00 0.00 66.41 63.49 2kjc h THR 17 Cb 0.48 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 70.03 2kjc h THR 17 CO 0.03 0.59 -0.56 -0.33 -0.01 0.00 0.00 175.52 175.24 2kjc h GLU 18 N 0.00 0.23 -0.18 0.00 4.39 -1.61 -2.80 114.58 114.61 2kjc h GLU 18 Ca -0.18 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 2kjc h GLU 18 Cb 1.85 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2kjc h GLU 18 CO 0.09 0.73 -0.10 -0.84 -1.16 0.00 0.00 179.01 177.73 2kjc h ILE 19 N 0.18 1.17 0.05 3.13 3.07 -1.60 -2.62 117.51 120.90 2kjc h ILE 19 Ca 0.00 -0.75 -0.00 0.00 1.55 0.00 0.00 64.86 65.66 2kjc h ILE 19 Cb 1.04 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2kjc h ILE 19 CO 0.09 0.24 -0.03 -0.26 -1.05 0.00 0.00 178.15 177.14 2kjc h PHE 20 N 0.27 -0.07 -0.62 0.16 0.04 -1.70 -2.82 116.94 112.21 2kjc h PHE 20 Ca 0.06 -0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.01 2kjc h PHE 20 Cb 0.35 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2kjc h PHE 20 CO 0.01 0.50 0.74 -0.22 -0.60 0.00 0.00 178.31 178.74 2kjc h LYS 21 N -0.93 0.00 0.10 1.51 3.64 -1.45 1.35 116.57 120.79 2kjc h LYS 21 Ca -0.01 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.09 2kjc h LYS 21 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2kjc h LYS 21 CO 0.01 0.00 -1.34 0.00 -2.27 0.00 0.00 179.45 175.85 2kjc h ALA 22 N 1.10 0.23 0.00 5.00 0.00 -1.46 -3.25 119.26 120.87 2kjc h ALA 22 Ca 0.29 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2kjc h ALA 22 Cb 1.77 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2kjc h ALA 22 CO -0.00 1.10 -0.19 1.25 0.00 0.00 0.00 179.25 181.41 2kjc h LEU 23 N 0.06 0.00 0.00 0.00 5.85 0.20 -3.41 115.31 118.01 2kjc h LEU 23 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kjc h LEU 23 Cb 1.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.99 2kjc h LEU 23 CO 0.17 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 2kjc n GLY 24 N -0.62 -2.52 2.98 3.75 0.00 -0.69 -4.31 105.19 103.78 2kjc n GLY 24 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 2kjc n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjc n ASP 25 N 0.00 -6.33 0.30 1.61 9.92 -1.26 -3.56 116.55 117.23 2kjc n ASP 25 Ca 0.00 0.89 0.13 0.00 -0.53 0.00 0.00 54.79 55.28 2kjc n ASP 25 Cb 0.00 -2.88 0.64 0.00 -0.64 0.00 0.00 41.12 38.25 2kjc n ASP 25 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2kjc h TYR 26 N 3.91 0.00 0.15 1.24 0.05 -1.99 0.35 116.97 120.69 2kjc h TYR 26 Ca -0.08 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.40 2kjc h TYR 26 Cb 0.58 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.35 2kjc h TYR 26 CO 0.00 0.00 -1.29 -0.91 -1.05 0.00 0.00 178.16 174.91 2kjc h ASN 27 N 0.00 0.84 0.05 3.88 -0.26 -1.97 -3.29 115.58 114.82 2kjc h ASN 27 Ca 0.03 -0.80 -0.16 0.00 -0.56 0.00 0.00 56.30 54.80 2kjc h ASN 27 Cb 1.02 -0.27 0.02 0.00 -1.06 0.00 0.00 38.32 38.03 2kjc h ASN 27 CO -0.00 1.61 -0.66 -0.09 -1.06 0.00 0.00 177.43 177.24 2kjc h ARG 28 N 0.24 0.36 -0.69 0.81 2.43 -0.55 -3.10 114.38 113.88 2kjc h ARG 28 Ca -0.20 -0.45 0.11 0.00 -0.81 0.00 0.00 59.98 58.64 2kjc h ARG 28 Cb 1.97 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 31.58 2kjc h ARG 28 CO 0.24 1.14 0.28 0.97 -1.51 0.00 0.00 179.97 181.09 2kjc h ILE 29 N -0.22 0.73 -0.06 1.20 2.10 -1.35 0.34 117.51 120.25 2kjc h ILE 29 Ca -0.10 -0.16 -0.15 0.00 1.08 0.00 0.00 64.86 65.54 2kjc h ILE 29 Cb 1.41 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 2kjc h ILE 29 CO 0.13 0.08 -0.61 -0.09 -1.08 0.00 0.00 178.15 176.58 2kjc h ARG 30 N 0.45 0.23 0.00 2.19 1.12 -1.68 -2.58 114.38 114.11 2kjc h ARG 30 Ca 0.36 -0.16 -0.08 0.00 -1.11 0.00 0.00 59.98 58.99 2kjc h ARG 30 Cb 0.48 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2kjc h ARG 30 CO -0.35 0.77 -0.40 0.82 -3.11 0.00 0.00 179.97 177.70 2kjc h ILE 31 N 0.17 1.17 -0.15 1.20 2.04 -1.10 -2.42 117.51 118.41 2kjc h ILE 31 Ca -0.01 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 2kjc h ILE 31 Cb 1.12 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2kjc h ILE 31 CO 0.09 0.39 -0.01 -0.03 0.00 0.00 0.00 178.15 178.59 2kjc h MET 32 N 0.00 0.21 -0.45 2.37 4.05 0.04 -1.36 114.93 119.80 2kjc h MET 32 Ca -0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 2kjc h MET 32 Cb 0.76 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 2kjc h MET 32 CO 0.05 0.25 -0.03 0.93 0.23 0.00 0.00 176.91 178.34 2kjc h GLU 33 N 0.21 0.75 0.70 0.39 4.39 -1.40 -2.90 114.58 116.73 2kjc h GLU 33 Ca 0.05 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 2kjc h GLU 33 Cb 0.17 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2kjc h GLU 33 CO 0.00 0.78 -0.34 1.25 -1.16 0.00 0.00 179.01 179.54 2kjc h LEU 34 N 0.69 -0.80 -1.08 1.33 5.85 -1.29 -3.04 115.31 116.98 2kjc h LEU 34 Ca 0.13 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.25 2kjc h LEU 34 Cb 0.47 0.21 -0.15 0.00 0.37 0.00 0.00 40.66 41.55 2kjc h LEU 34 CO 0.02 -0.46 0.61 -0.07 -0.34 0.00 0.00 178.44 178.20 2kjc h LEU 35 N -1.16 0.42 -0.06 2.25 3.38 -1.48 0.36 115.31 119.01 2kjc h LEU 35 Ca -0.10 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kjc h LEU 35 Cb 0.72 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2kjc h LEU 35 CO 0.16 -0.22 -0.22 -1.28 0.09 0.00 0.00 178.44 176.97 2kjc h SER 36 N 0.20 -0.65 -0.57 -0.43 0.87 -1.40 -1.90 113.55 109.67 2kjc h SER 36 Ca 0.78 0.10 0.08 0.00 -1.23 0.00 0.00 61.79 61.52 2kjc h SER 36 Cb 1.98 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 64.16 2kjc h SER 36 CO -0.61 -0.28 0.22 0.58 -0.53 0.00 0.00 176.83 176.21 2kjc h VAL 37 N -0.31 0.81 -1.30 2.23 2.07 -0.24 -3.44 116.25 116.06 2kjc h VAL 37 Ca 0.08 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.60 2kjc h VAL 37 Cb 0.42 0.36 -0.30 0.00 -1.52 0.00 0.00 31.29 30.26 2kjc h VAL 37 CO -0.24 0.07 0.66 -0.94 0.02 0.00 0.00 177.57 177.15 2kjc s SER 38 N -5.40 -0.24 0.99 0.57 1.04 -0.72 -5.15 113.70 104.79 2kjc s SER 38 Ca -0.13 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 2kjc s SER 38 Cb 0.16 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.82 2kjc s SER 38 CO 0.74 -0.07 -0.42 -1.84 0.98 0.00 0.00 173.24 172.62 2kjc n GLU 39 N 2.26 -0.17 -3.66 4.02 0.28 -1.20 -4.16 120.64 118.00 2kjc n GLU 39 Ca -0.13 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2kjc n GLU 39 Cb 0.57 -1.32 -0.08 0.00 1.43 0.00 0.00 31.44 32.04 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kjc s ALA 40 N -2.14 -1.53 0.96 -1.84 0.00 -1.25 -4.94 121.76 111.02 2kjc s ALA 40 Ca 0.46 1.85 -0.14 0.00 0.00 0.00 0.00 51.96 54.13 2kjc s ALA 40 Cb -0.17 -1.09 0.17 0.00 0.00 0.00 0.00 23.12 22.04 2kjc s ALA 40 CO 0.76 -0.31 1.18 -1.12 0.00 0.00 0.00 175.76 176.27 2kjc s SER 41 N 0.76 3.05 0.14 0.00 0.01 -1.26 -4.27 113.70 112.13 2kjc s SER 41 Ca -0.04 0.73 -0.24 0.00 1.31 0.00 0.00 55.95 57.71 2kjc s SER 41 Cb -0.05 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.06 2kjc s SER 41 CO -0.06 -2.81 1.64 0.58 0.41 0.00 0.00 173.24 173.00 2kjc h VAL 42 N -1.68 0.43 -0.65 3.43 2.07 -1.96 -1.66 116.25 116.23 2kjc h VAL 42 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2kjc h VAL 42 Cb 1.30 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2kjc h VAL 42 CO 0.52 0.00 0.37 1.23 0.02 0.00 0.00 177.57 179.71 2kjc h GLY 43 N -0.30 0.95 2.00 2.17 0.00 -1.96 -1.54 103.07 104.39 2kjc h GLY 43 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2kjc h GLY 43 CO -0.30 0.39 -0.13 0.45 0.00 0.00 0.00 176.54 176.96 2kjc h HIS 44 N 0.90 0.00 0.00 5.60 -0.00 -1.68 -2.19 115.15 117.79 2kjc h HIS 44 Ca 0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.45 2kjc h HIS 44 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2kjc h HIS 44 CO 0.00 0.13 -0.79 0.82 -0.00 0.00 0.00 177.93 178.09 2kjc h ILE 45 N 0.00 1.10 0.00 2.45 2.04 -0.48 -3.28 117.51 119.34 2kjc h ILE 45 Ca -0.00 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.26 2kjc h ILE 45 Cb 0.32 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2kjc h ILE 45 CO 0.02 0.63 0.09 -0.24 0.00 0.00 0.00 178.15 178.64 2kjc n SER 46 N -3.23 0.11 0.02 1.72 2.88 -0.82 0.78 113.62 115.07 2kjc n SER 46 Ca -0.00 0.48 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 2kjc n SER 46 Cb 0.82 -0.49 0.23 0.00 -0.75 0.00 0.00 64.21 64.02 2kjc n SER 46 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kjc n HIS 47 N -1.59 0.15 0.04 0.66 8.25 -1.24 -4.13 115.22 117.37 2kjc n HIS 47 Ca -0.00 0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 2kjc n HIS 47 Cb 0.09 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 2kjc n HIS 47 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2kjc h GLN 48 N 0.00 -0.20 0.00 -0.41 1.08 0.14 -3.47 115.11 112.26 2kjc h GLN 48 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kjc h GLN 48 Cb 0.57 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2kjc h GLN 48 CO 0.00 0.20 0.00 -0.11 -0.95 0.00 0.00 178.83 177.97 2kjc n LEU 49 N -4.89 0.00 -4.77 1.46 0.00 -1.25 -5.08 117.00 102.48 2kjc n LEU 49 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.55 2kjc n LEU 49 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.60 2kjc n LEU 49 CO 0.21 0.00 0.60 0.20 0.00 0.00 0.00 177.39 178.40 2kjc s ASN 50 N -0.97 7.50 -0.15 1.96 0.02 -1.26 -5.00 114.94 117.05 2kjc s ASN 50 Ca 0.00 1.84 -0.12 0.00 -1.02 0.00 0.00 52.86 53.55 2kjc s ASN 50 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 2kjc s ASN 50 CO 0.00 0.11 -0.24 0.18 0.02 0.00 0.00 177.10 177.18 2kjc n LEU 51 N 1.27 1.77 -4.76 0.60 7.99 -1.26 -4.19 117.00 118.42 2kjc n LEU 51 Ca -0.02 0.50 -0.40 0.00 -0.01 0.00 0.00 56.01 56.07 2kjc n LEU 51 Cb 0.48 -0.80 -0.04 0.00 -0.11 0.00 0.00 43.42 42.95 2kjc n LEU 51 CO 0.48 -0.40 0.80 -0.55 -1.51 0.00 0.00 177.39 176.21 2kjc s SER 52 N -5.70 7.25 0.02 -1.43 0.15 -1.26 -4.90 113.70 107.83 2kjc s SER 52 Ca -0.20 2.28 -0.07 0.00 0.70 0.00 0.00 55.95 58.66 2kjc s SER 52 Cb 0.03 -2.63 -0.30 0.00 -1.71 0.00 0.00 66.02 61.41 2kjc s SER 52 CO 0.29 -0.16 0.95 0.06 1.20 0.00 0.00 173.24 175.58 2kjc h GLN 53 N 3.83 0.34 -0.42 5.44 3.07 -1.94 -3.28 115.11 122.15 2kjc h GLN 53 Ca -0.47 -0.58 0.10 0.00 0.09 0.00 0.00 58.65 57.79 2kjc h GLN 53 Cb 1.21 0.22 -0.02 0.00 0.08 0.00 0.00 27.48 28.97 2kjc h GLN 53 CO 0.67 1.24 0.30 1.03 0.09 0.00 0.00 178.83 182.16 2kjc h SER 54 N 0.09 0.10 -0.41 0.06 0.87 -1.98 0.14 113.55 112.41 2kjc h SER 54 Ca -0.23 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.25 2kjc h SER 54 Cb 2.05 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2kjc h SER 54 CO 0.20 0.06 -0.06 -1.13 -0.53 0.00 0.00 176.83 175.37 2kjc h ASN 55 N 0.11 0.76 -0.15 6.23 -1.24 -1.97 -1.13 115.58 118.18 2kjc h ASN 55 Ca 0.20 -0.34 -0.18 0.00 0.71 0.00 0.00 56.30 56.68 2kjc h ASN 55 Cb 0.64 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 2kjc h ASN 55 CO -0.02 0.93 -0.59 0.58 -1.29 0.00 0.00 177.43 177.04 2kjc h VAL 56 N 0.59 1.29 -0.56 2.57 2.07 -1.17 -0.89 116.25 120.15 2kjc h VAL 56 Ca 0.11 -1.80 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 2kjc h VAL 56 Cb 0.57 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2kjc h VAL 56 CO 0.03 0.58 0.15 0.28 0.02 0.00 0.00 177.57 178.63 2kjc h SER 57 N 0.57 0.79 0.00 0.57 0.02 -0.72 0.64 113.55 115.42 2kjc h SER 57 Ca 0.00 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 2kjc h SER 57 Cb 1.18 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.52 2kjc h SER 57 CO 0.12 0.77 -0.38 -0.74 -1.14 0.00 0.00 176.83 175.46 2kjc h HIS 58 N 0.82 0.38 -0.16 3.45 6.17 -1.13 -2.98 115.15 121.70 2kjc h HIS 58 Ca 0.18 -0.21 -0.04 0.00 0.71 0.00 0.00 60.37 61.01 2kjc h HIS 58 Cb 0.28 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.16 2kjc h HIS 58 CO 0.02 1.02 -0.06 0.37 0.71 0.00 0.00 177.93 179.99 2kjc h GLN 59 N -0.37 0.32 -0.60 5.26 4.15 -1.05 -2.93 115.11 119.89 2kjc h GLN 59 Ca -0.05 -0.13 0.12 0.00 0.77 0.00 0.00 58.65 59.36 2kjc h GLN 59 Cb 1.13 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 2kjc h GLN 59 CO 0.08 0.62 0.41 1.25 -1.93 0.00 0.00 178.83 179.25 2kjc h LEU 60 N 0.01 0.29 -1.01 -2.39 5.85 0.17 0.86 115.31 119.09 2kjc h LEU 60 Ca 0.04 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2kjc h LEU 60 Cb 0.51 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2kjc h LEU 60 CO 0.02 0.17 -0.45 0.50 -0.34 0.00 0.00 178.44 178.34 2kjc h LYS 61 N 0.32 0.09 -0.18 1.25 3.64 -1.35 -2.22 116.57 118.12 2kjc h LYS 61 Ca 0.29 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2kjc h LYS 61 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2kjc h LYS 61 CO -0.07 0.53 -0.38 1.25 -2.27 0.00 0.00 179.45 178.51 2kjc h LEU 62 N 0.07 0.40 -0.49 5.20 5.85 -0.70 -2.53 115.31 123.12 2kjc h LEU 62 Ca 0.00 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 2kjc h LEU 62 Cb 0.83 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2kjc h LEU 62 CO 0.06 0.75 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.40 2kjc h LEU 63 N 0.32 0.00 -1.30 2.25 3.38 -1.20 -3.11 115.31 115.66 2kjc h LEU 63 Ca 0.03 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.18 2kjc h LEU 63 Cb 0.81 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2kjc h LEU 63 CO 0.07 0.44 0.59 0.50 0.09 0.00 0.00 178.44 180.13 2kjc h LYS 64 N 0.00 0.60 -0.10 1.13 3.64 -0.95 -0.13 116.57 120.77 2kjc h LYS 64 Ca -0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2kjc h LYS 64 Cb 1.14 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 2kjc h LYS 64 CO 0.06 0.40 -0.19 0.77 -2.27 0.00 0.00 179.45 178.22 2kjc h SER 65 N 0.62 -0.58 0.00 4.20 0.02 -1.61 0.83 113.55 117.03 2kjc h SER 65 Ca 0.49 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 2kjc h SER 65 Cb 0.91 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kjc h SER 65 CO -0.24 -0.24 0.00 0.52 -1.14 0.00 0.00 176.83 175.73 2kjc n VAL 66 N -5.33 0.00 -2.14 2.27 0.31 -0.11 -4.78 118.33 108.55 2kjc n VAL 66 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.28 2kjc n VAL 66 Cb 0.24 -0.59 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2kjc n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kjc n HIS 67 N -0.79 -1.66 0.24 3.52 1.44 0.29 -4.69 115.22 113.57 2kjc n HIS 67 Ca 0.06 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.90 2kjc n HIS 67 Cb 0.03 -1.27 0.73 0.00 0.12 0.00 0.00 29.99 29.60 2kjc n HIS 67 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kjc h LEU 68 N 0.00 0.00 -8.54 2.39 7.12 -1.77 -3.43 115.31 111.08 2kjc h LEU 68 Ca -0.05 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.68 2kjc h LEU 68 Cb 0.81 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.87 2kjc h LEU 68 CO 0.06 0.00 -0.19 0.68 -0.13 0.00 0.00 178.44 178.86 2kjc s VAL 69 N -3.74 0.00 -0.16 1.05 -7.23 -1.26 -4.04 120.40 105.01 2kjc s VAL 69 Ca -0.03 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 2kjc s VAL 69 Cb 0.08 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.42 2kjc s VAL 69 CO 0.24 0.00 0.39 -0.75 -0.31 0.00 0.00 175.10 174.68 2kjc s LYS 70 N -3.00 0.37 0.23 4.82 2.20 -1.26 -4.93 119.74 118.17 2kjc s LYS 70 Ca 0.31 0.78 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 2kjc s LYS 70 Cb -0.01 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 2kjc s LYS 70 CO 0.21 -0.17 0.27 0.00 -0.36 0.00 0.00 175.35 175.31 2kjc s ALA 71 N 1.48 3.78 0.05 3.13 0.00 -1.26 -4.10 121.76 124.83 2kjc s ALA 71 Ca -0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 2kjc s ALA 71 Cb -0.09 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 2kjc s ALA 71 CO -0.12 0.31 0.07 0.15 0.00 0.00 0.00 175.76 176.16 2kjc s LYS 72 N -3.76 0.62 0.09 0.00 1.02 -1.20 -5.07 119.74 111.45 2kjc s LYS 72 Ca 0.33 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 2kjc s LYS 72 Cb -0.09 0.24 -0.07 0.00 -0.52 0.00 0.00 37.83 37.39 2kjc s LYS 72 CO 0.27 -0.15 0.57 0.50 -0.92 0.00 0.00 175.35 175.61 2kjc s ARG 73 N -3.11 4.15 -0.20 1.68 3.52 -1.26 -3.31 118.95 120.41 2kjc s ARG 73 Ca -0.01 0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 56.20 2kjc s ARG 73 Cb 0.02 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.33 2kjc s ARG 73 CO -0.07 0.60 0.45 -1.14 -0.81 0.00 0.00 175.30 174.33 2kjc s GLN 74 N -1.32 0.38 6.39 5.12 0.74 -0.91 -5.01 119.66 125.05 2kjc s GLN 74 Ca 0.31 1.02 0.00 0.00 0.05 0.00 0.00 55.36 56.74 2kjc s GLN 74 Cb -0.18 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.20 2kjc s GLN 74 CO 0.19 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 2kjc n GLY 75 N 5.07 2.82 1.89 2.59 0.00 -1.26 -2.23 105.19 114.07 2kjc n GLY 75 Ca -0.13 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 13.72 4.86 -4.07 1.61 3.00 -1.26 -4.95 117.38 130.29 2kjc n GLN 76 Ca 0.00 -3.15 -0.10 0.00 -0.01 0.00 0.00 57.00 53.74 2kjc n GLN 76 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 30.24 27.92 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kjc s SER 77 N -0.78 0.07 0.12 1.08 1.04 -0.95 -5.18 113.70 109.10 2kjc s SER 77 Ca 0.55 -1.12 0.10 0.00 0.48 0.00 0.00 55.95 55.95 2kjc s SER 77 Cb 0.41 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 67.02 2kjc s SER 77 CO 0.16 -1.05 -0.24 -0.04 0.98 0.00 0.00 173.24 173.05 2kjc s MET 78 N -3.99 1.54 0.10 4.02 -1.94 -1.26 -2.13 119.30 115.63 2kjc s MET 78 Ca 0.29 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.99 2kjc s MET 78 Cb 0.02 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2kjc s MET 78 CO 0.11 0.46 -0.02 0.96 -0.01 0.00 0.00 175.02 176.52 2kjc s ILE 79 N -1.07 0.44 0.19 2.53 -4.36 -1.21 -4.90 121.20 112.82 2kjc s ILE 79 Ca 0.15 -1.90 0.08 0.00 -0.26 0.00 0.00 60.65 58.73 2kjc s ILE 79 Cb -0.10 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 2kjc s ILE 79 CO 0.07 -0.79 -0.16 -0.31 0.24 0.00 0.00 174.94 173.99 2kjc s TYR 80 N -3.80 1.78 0.18 1.37 1.51 -1.26 -3.24 117.35 113.90 2kjc s TYR 80 Ca 0.14 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 2kjc s TYR 80 Cb 0.07 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2kjc s TYR 80 CO -0.04 0.37 0.34 0.43 -1.11 0.00 0.00 175.55 175.54 2kjc n SER 81 N -0.13 -1.00 -4.95 2.29 7.64 -1.26 -3.75 113.62 112.46 2kjc n SER 81 Ca -0.10 -1.76 -0.23 0.00 1.01 0.00 0.00 58.87 57.80 2kjc n SER 81 Cb 0.59 1.69 -0.01 0.00 -1.01 0.00 0.00 64.21 65.47 2kjc n SER 81 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kjc s LEU 82 N 0.00 4.00 0.00 -3.43 0.05 -1.26 -4.03 118.68 114.01 2kjc s LEU 82 Ca 0.08 0.29 0.00 0.00 0.05 0.00 0.00 54.13 54.55 2kjc s LEU 82 Cb -0.02 -3.15 0.00 0.00 -2.05 0.00 0.00 46.19 40.97 2kjc s LEU 82 CO 0.06 -0.34 0.00 -0.67 -0.55 0.00 0.00 176.35 174.85 2kjc n ASP 83 N -1.76 0.00 0.00 1.48 2.03 -1.26 -4.77 116.55 112.27 2kjc n ASP 83 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2kjc n ASP 83 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kjc n ASP 84 N 0.00 0.00 -0.01 1.67 8.00 -1.26 -5.02 116.55 119.93 2kjc n ASP 84 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2kjc n ASP 84 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kjc n ILE 85 N 0.00 0.11 -0.31 0.53 5.41 -1.26 -4.51 119.36 119.34 2kjc n ILE 85 Ca 0.00 -0.32 0.23 0.00 1.00 0.00 0.00 62.75 63.66 2kjc n ILE 85 Cb 0.00 0.09 0.53 0.00 -0.71 0.00 0.00 39.64 39.55 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2kjc h HIS 86 N 0.00 0.57 -0.18 1.39 3.86 -2.00 0.11 115.15 118.90 2kjc h HIS 86 Ca -0.04 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2kjc h HIS 86 Cb 0.74 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 2kjc h HIS 86 CO 0.00 0.07 0.01 -0.39 0.86 0.00 0.00 177.93 178.49 2kjc h VAL 87 N 0.36 1.24 -0.14 2.45 -1.51 -1.98 -2.18 116.25 114.49 2kjc h VAL 87 Ca 0.56 -0.79 0.04 0.00 -1.23 0.00 0.00 66.70 65.28 2kjc h VAL 87 Cb 1.51 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 32.08 2kjc h VAL 87 CO -0.24 0.24 0.25 0.00 -1.23 0.00 0.00 177.57 176.59 2kjc h ALA 88 N 0.80 1.60 0.06 5.19 0.00 -1.05 0.23 119.26 126.10 2kjc h ALA 88 Ca 0.05 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2kjc h ALA 88 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kjc h ALA 88 CO 0.01 -0.33 -1.08 1.15 0.00 0.00 0.00 179.25 179.00 2kjc h THR 89 N 0.00 1.52 -0.13 0.00 2.02 -0.94 -3.16 112.91 112.21 2kjc h THR 89 Ca 0.07 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.32 2kjc h THR 89 Cb 0.57 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2kjc h THR 89 CO -0.00 0.85 0.09 0.24 0.37 0.00 0.00 175.52 177.07 2kjc h MET 90 N 0.09 0.16 0.08 6.66 2.86 -0.22 0.29 114.93 124.86 2kjc h MET 90 Ca -0.09 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2kjc h MET 90 Cb 1.78 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.40 2kjc h MET 90 CO 0.17 0.11 -0.04 -0.07 1.06 0.00 0.00 176.91 178.14 2kjc h LEU 91 N 0.17 -0.10 0.59 1.22 3.38 -1.53 -3.02 115.31 116.03 2kjc h LEU 91 Ca 0.05 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2kjc h LEU 91 Cb -0.00 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kjc h LEU 91 CO -0.01 0.50 -0.28 0.11 0.09 0.00 0.00 178.44 178.84 2kjc h LYS 92 N -0.75 -0.77 -1.47 1.13 1.57 -1.44 -3.02 116.57 111.82 2kjc h LYS 92 Ca -0.01 0.05 0.46 0.00 -1.87 0.00 0.00 60.65 59.28 2kjc h LYS 92 Cb 0.58 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.95 2kjc h LYS 92 CO 0.02 -0.51 0.99 0.37 -0.57 0.00 0.00 179.45 179.74 2kjc h GLN 93 N -0.94 0.05 0.46 3.15 4.15 -0.59 0.59 115.11 121.99 2kjc h GLN 93 Ca -0.08 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2kjc h GLN 93 Cb 0.61 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.29 2kjc h GLN 93 CO 0.13 0.04 -0.22 0.00 -1.93 0.00 0.00 178.83 176.85 2kjc h ALA 94 N 1.45 -0.97 0.00 3.38 0.00 -1.40 -2.62 119.26 119.10 2kjc h ALA 94 Ca 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2kjc h ALA 94 Cb 2.85 0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.88 2kjc h ALA 94 CO -0.30 -0.92 0.00 0.44 0.00 0.00 0.00 179.25 178.46 2kjc n ILE 95 N -3.95 1.04 0.01 0.00 -5.35 -0.41 -2.21 119.36 108.49 2kjc n ILE 95 Ca -0.08 0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.49 2kjc n ILE 95 Cb 0.24 -1.12 -0.12 0.00 -1.74 0.00 0.00 39.64 36.90 2kjc n ILE 95 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2kjc h HIS 96 N 0.00 0.47 0.00 4.28 2.76 -0.68 -3.23 115.15 118.75 2kjc h HIS 96 Ca 0.00 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2kjc h HIS 96 Cb 0.10 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2kjc h HIS 96 CO 0.00 1.14 0.00 1.58 -1.30 0.00 0.00 177.93 179.35 2kjc n HIS 97 N -4.28 0.91 1.43 5.26 -0.00 -0.94 -2.77 115.22 114.82 2kjc n HIS 97 Ca -0.11 0.28 0.14 0.00 -0.00 0.00 0.00 57.72 58.03 2kjc n HIS 97 Cb 0.67 -0.95 0.75 0.00 -0.00 0.00 0.00 29.99 30.46 2kjc n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kjc n ALA 98 N -1.78 2.46 -3.83 1.57 0.00 -1.02 -4.89 120.51 113.00 2kjc n ALA 98 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2kjc n ALA 98 Cb 0.40 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.39 2kjc n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kjc s ASN 99 N -2.52 -0.04 -0.46 0.00 2.47 -1.12 -5.07 114.94 108.21 2kjc s ASN 99 Ca 0.29 -0.85 0.05 0.00 0.42 0.00 0.00 52.86 52.77 2kjc s ASN 99 Cb 0.20 0.68 0.25 0.00 -1.45 0.00 0.00 41.25 40.93 2kjc s ASN 99 CO 0.44 -1.33 0.97 1.41 -3.72 0.00 0.00 177.10 174.87 2kjc n HIS 100 N -0.58 -2.84 -1.55 0.43 8.25 -1.26 -4.79 115.22 112.87 2kjc n HIS 100 Ca -0.06 -1.60 -0.14 0.00 -0.26 0.00 0.00 57.72 55.67 2kjc n HIS 100 Cb 0.60 1.50 0.09 0.00 1.12 0.00 0.00 29.99 33.29 2kjc n HIS 100 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kjc n PRO 101 N 1.52 -0.51 -3.66 -0.41 -0.04 -1.26 -5.12 135.00 125.53 2kjc n PRO 101 Ca 0.07 -1.01 -0.13 0.00 -0.04 0.00 0.00 63.50 62.40 2kjc n PRO 101 Cb 0.65 -0.61 -0.08 0.00 -0.04 0.00 0.00 33.50 33.42 2kjc n PRO 101 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kjc s LYS 102 N -4.29 0.72 0.00 0.54 2.20 -1.26 -5.29 119.74 112.36 2kjc s LYS 102 Ca 0.35 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 2kjc s LYS 102 Cb -0.01 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2kjc s LYS 102 CO 0.24 -0.10 0.00 -1.91 -0.36 0.00 0.00 175.35 173.22