#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 0.71 -0.55 5.53 1.35 -2.06 0.26 112.91 118.15 2kjc h THR 10 Ca 0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.79 2kjc h THR 10 Cb 0.00 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 2kjc h THR 10 CO 0.00 0.02 0.22 0.44 -0.25 0.00 0.00 175.52 175.95 2kjc h ASP 11 N 0.12 0.77 0.11 5.36 3.32 -2.06 -2.29 116.42 121.75 2kjc h ASP 11 Ca 0.32 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2kjc h ASP 11 Cb 1.11 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2kjc h ASP 11 CO -0.04 0.73 -0.05 0.71 -1.72 0.00 0.00 179.24 178.87 2kjc h THR 12 N 0.76 0.99 -0.88 0.35 1.35 -1.40 -1.69 112.91 112.39 2kjc h THR 12 Ca 0.18 -0.34 0.20 0.00 -0.55 0.00 0.00 66.41 65.90 2kjc h THR 12 Cb 0.21 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 67.77 2kjc h THR 12 CO -0.01 0.08 0.59 0.25 -0.25 0.00 0.00 175.52 176.18 2kjc h LEU 13 N -0.30 0.38 -0.27 3.87 5.85 -1.36 0.22 115.31 123.70 2kjc h LEU 13 Ca -0.01 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 2kjc h LEU 13 Cb 0.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2kjc h LEU 13 CO 0.02 0.16 -0.62 -0.33 -0.34 0.00 0.00 178.44 177.33 2kjc h GLU 14 N 0.38 0.84 -0.02 1.25 5.08 -1.01 -3.27 114.58 117.83 2kjc h GLU 14 Ca 0.45 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kjc h GLU 14 Cb 1.16 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kjc h GLU 14 CO -0.16 1.20 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.96 2kjc h ARG 15 N 0.62 0.03 0.00 2.33 2.43 0.11 -2.68 114.38 117.23 2kjc h ARG 15 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kjc h ARG 15 Cb 1.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2kjc h ARG 15 CO 0.13 0.44 0.52 0.28 -1.51 0.00 0.00 179.97 179.83 2kjc h VAL 16 N -0.37 0.00 0.08 0.20 2.07 -0.76 1.07 116.25 118.54 2kjc h VAL 16 Ca 0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.18 2kjc h VAL 16 Cb 0.43 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2kjc h VAL 16 CO 0.00 0.00 -1.97 0.41 0.02 0.00 0.00 177.57 176.04 2kjc n THR 17 N -2.14 1.70 0.22 2.57 -1.04 -1.02 -4.06 114.28 110.51 2kjc n THR 17 Ca -0.01 -0.70 0.07 0.00 -2.04 0.00 0.00 64.05 61.37 2kjc n THR 17 Cb 0.54 -1.47 0.49 0.00 -1.82 0.00 0.00 70.33 68.07 2kjc n THR 17 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kjc h GLU 18 N 0.04 0.00 0.36 -2.82 5.08 0.13 -3.09 114.58 114.28 2kjc h GLU 18 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2kjc h GLU 18 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2kjc h GLU 18 CO 0.07 0.26 -0.28 0.82 -1.00 0.00 0.00 179.01 178.88 2kjc h ILE 19 N 0.00 0.00 0.04 3.13 2.04 -1.50 -1.35 117.51 119.87 2kjc h ILE 19 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2kjc h ILE 19 Cb 0.54 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2kjc h ILE 19 CO 0.03 0.00 -0.31 -0.26 0.00 0.00 0.00 178.15 177.62 2kjc h PHE 20 N -0.62 -0.90 -0.87 1.37 0.04 -1.73 -1.53 116.94 112.70 2kjc h PHE 20 Ca -0.05 0.03 0.25 0.00 2.80 0.00 0.00 57.97 61.00 2kjc h PHE 20 Cb 0.52 0.39 -0.16 0.00 2.20 0.00 0.00 35.95 38.89 2kjc h PHE 20 CO -0.10 -0.34 0.05 1.17 -0.60 0.00 0.00 178.31 178.50 2kjc n LYS 21 N -4.20 -0.07 0.00 1.51 4.81 -1.17 0.41 118.16 119.45 2kjc n LYS 21 Ca -0.05 1.30 0.00 0.00 -0.87 0.00 0.00 58.31 58.69 2kjc n LYS 21 Cb 0.23 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2kjc n LYS 21 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kjc n ALA 22 N -3.15 1.11 0.48 3.14 0.00 -0.51 0.12 120.51 121.70 2kjc n ALA 22 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2kjc n ALA 22 Cb 0.71 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 2kjc n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjc n LEU 23 N -1.06 0.75 0.00 0.00 4.77 1.35 -4.90 117.00 117.90 2kjc n LEU 23 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2kjc n LEU 23 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kjc n LEU 23 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2kjc n GLY 24 N 1.13 0.00 0.00 -0.72 0.00 0.33 -4.47 105.19 101.46 2kjc n GLY 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.06 1.61 8.00 -1.26 -4.77 116.55 120.19 2kjc n ASP 25 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2kjc n ASP 25 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kjc h TYR 26 N 0.00 0.52 -1.06 1.24 -0.00 -2.01 -3.21 116.97 112.45 2kjc h TYR 26 Ca 0.00 -0.25 0.40 0.00 -0.00 0.00 0.00 58.73 58.87 2kjc h TYR 26 Cb 0.00 -0.07 -0.16 0.00 -0.00 0.00 0.00 36.73 36.49 2kjc h TYR 26 CO 0.00 1.03 0.60 -0.97 -0.00 0.00 0.00 178.16 178.82 2kjc h ASN 27 N 0.24 0.36 0.26 0.10 -0.73 -1.94 1.47 115.58 115.35 2kjc h ASN 27 Ca -0.04 0.22 -0.21 0.00 1.87 0.00 0.00 56.30 58.13 2kjc h ASN 27 Cb 1.39 0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.19 2kjc h ASN 27 CO 0.13 -0.31 -0.85 -0.09 -0.37 0.00 0.00 177.43 175.94 2kjc h ARG 28 N 0.11 0.44 -0.82 6.67 2.43 -1.89 -3.22 114.38 118.09 2kjc h ARG 28 Ca 0.81 -0.42 0.17 0.00 -0.81 0.00 0.00 59.98 59.73 2kjc h ARG 28 Cb 2.15 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 31.70 2kjc h ARG 28 CO -0.66 1.07 0.35 0.82 -1.51 0.00 0.00 179.97 180.04 2kjc h ILE 29 N 0.27 0.60 -0.15 1.20 1.08 0.20 -0.50 117.51 120.21 2kjc h ILE 29 Ca -0.06 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2kjc h ILE 29 Cb 1.47 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2kjc h ILE 29 CO 0.15 0.08 0.05 -0.09 -0.69 0.00 0.00 178.15 177.66 2kjc h ARG 30 N 0.46 0.24 -0.84 2.37 2.43 -1.47 -2.57 114.38 114.99 2kjc h ARG 30 Ca 0.47 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.75 2kjc h ARG 30 Cb 0.78 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 2kjc h ARG 30 CO -0.44 0.34 0.55 0.82 -1.51 0.00 0.00 179.97 179.73 2kjc h ILE 31 N 0.08 0.80 -0.41 1.20 2.04 -1.17 0.96 117.51 121.02 2kjc h ILE 31 Ca 0.05 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 2kjc h ILE 31 Cb 0.20 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2kjc h ILE 31 CO -0.00 0.10 -0.12 -0.03 0.00 0.00 0.00 178.15 178.10 2kjc h MET 32 N 0.56 0.73 -0.40 2.37 4.05 -0.84 -2.65 114.93 118.75 2kjc h MET 32 Ca 0.42 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2kjc h MET 32 Cb 0.81 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2kjc h MET 32 CO -0.17 0.82 -0.01 1.49 0.23 0.00 0.00 176.91 179.27 2kjc h GLU 33 N 0.66 0.65 0.45 0.39 4.81 -0.49 -1.69 114.58 119.36 2kjc h GLU 33 Ca 0.11 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2kjc h GLU 33 Cb 0.58 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2kjc h GLU 33 CO 0.04 0.68 -0.22 1.25 -0.73 0.00 0.00 179.01 180.03 2kjc h LEU 34 N 0.61 -0.51 -1.50 1.64 5.85 -1.09 -2.89 115.31 117.42 2kjc h LEU 34 Ca 0.12 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2kjc h LEU 34 Cb 0.40 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2kjc h LEU 34 CO 0.02 -0.20 0.45 -0.07 -0.34 0.00 0.00 178.44 178.29 2kjc h LEU 35 N -0.83 0.51 -0.22 2.25 3.38 -1.42 -1.85 115.31 117.13 2kjc h LEU 35 Ca -0.06 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2kjc h LEU 35 Cb 0.56 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2kjc h LEU 35 CO 0.10 0.31 -0.10 -1.28 0.09 0.00 0.00 178.44 177.56 2kjc h SER 36 N 0.57 -0.32 -0.66 -0.43 0.87 -1.13 -2.10 113.55 110.35 2kjc h SER 36 Ca 0.31 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.90 2kjc h SER 36 Cb 0.46 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2kjc h SER 36 CO -0.10 -0.13 0.20 0.58 -0.53 0.00 0.00 176.83 176.85 2kjc h VAL 37 N -0.07 1.25 -1.34 2.23 2.07 -1.16 -3.45 116.25 115.79 2kjc h VAL 37 Ca 0.12 -0.87 0.14 0.00 0.82 0.00 0.00 66.70 66.90 2kjc h VAL 37 Cb 0.24 0.57 -0.30 0.00 -1.52 0.00 0.00 31.29 30.28 2kjc h VAL 37 CO -0.26 0.33 0.60 -0.94 0.02 0.00 0.00 177.57 177.32 2kjc s SER 38 N -6.29 -0.29 1.06 0.57 1.04 -0.79 -5.14 113.70 103.85 2kjc s SER 38 Ca -0.12 0.50 -0.23 0.00 0.48 0.00 0.00 55.95 56.57 2kjc s SER 38 Cb 0.14 0.82 -0.06 0.00 0.10 0.00 0.00 66.02 67.03 2kjc s SER 38 CO 0.82 -0.08 -0.82 -1.84 0.98 0.00 0.00 173.24 172.30 2kjc n GLU 39 N 2.70 -0.75 -3.51 4.02 0.28 -1.20 -4.05 120.64 118.13 2kjc n GLU 39 Ca -0.15 -0.21 -0.17 0.00 -0.16 0.00 0.00 57.16 56.47 2kjc n GLU 39 Cb 0.57 -1.33 -0.06 0.00 1.43 0.00 0.00 31.44 32.05 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 -2.11 -1.73 0.73 -1.84 0.00 -1.26 -4.90 121.76 110.65 2kjc s ALA 40 Ca 0.45 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 2kjc s ALA 40 Cb -0.00 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.32 2kjc s ALA 40 CO 0.66 -0.42 1.03 0.45 0.00 0.00 0.00 175.76 177.49 2kjc s SER 41 N -1.39 4.52 0.03 0.00 0.15 -1.26 -4.21 113.70 111.54 2kjc s SER 41 Ca -0.10 0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 2kjc s SER 41 Cb -0.00 -0.76 -0.10 0.00 -1.71 0.00 0.00 66.02 63.45 2kjc s SER 41 CO 0.07 -1.77 1.28 0.58 1.20 0.00 0.00 173.24 174.60 2kjc h VAL 42 N -0.67 0.00 -0.36 4.45 2.07 -2.01 -1.12 116.25 118.60 2kjc h VAL 42 Ca -0.43 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.17 2kjc h VAL 42 Cb 1.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2kjc h VAL 42 CO 0.53 0.00 0.25 1.23 0.02 0.00 0.00 177.57 179.60 2kjc h GLY 43 N -0.62 0.18 0.99 2.17 0.00 -1.97 -1.28 103.07 102.55 2kjc h GLY 43 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2kjc h GLY 43 CO 0.06 0.04 0.34 0.84 0.00 0.00 0.00 176.54 177.83 2kjc h HIS 44 N 0.14 0.84 -0.18 5.60 6.17 -1.86 -2.09 115.15 123.77 2kjc h HIS 44 Ca 0.17 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.20 2kjc h HIS 44 Cb 0.48 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.13 2kjc h HIS 44 CO -0.00 0.60 -0.03 0.82 0.71 0.00 0.00 177.93 180.02 2kjc h ILE 45 N 0.83 1.14 -1.25 6.26 2.04 0.01 -2.71 117.51 123.82 2kjc h ILE 45 Ca 0.22 -0.55 0.45 0.00 1.00 0.00 0.00 64.86 65.98 2kjc h ILE 45 Cb 0.03 1.04 -0.14 0.00 -0.74 0.00 0.00 36.82 37.01 2kjc h ILE 45 CO -0.04 0.18 0.78 -0.24 0.00 0.00 0.00 178.15 178.84 2kjc n SER 46 N -4.35 0.23 0.40 1.72 2.88 -0.79 -0.08 113.62 113.63 2kjc n SER 46 Ca -0.00 1.39 -0.17 0.00 -1.33 0.00 0.00 58.87 58.76 2kjc n SER 46 Cb 0.20 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 62.89 2kjc n SER 46 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2kjc h HIS 47 N 0.00 -1.10 0.00 0.66 3.86 -1.62 15.54 115.15 132.48 2kjc h HIS 47 Ca 0.84 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 60.04 2kjc h HIS 47 Cb 2.62 0.38 0.00 0.00 1.06 0.00 0.00 27.41 31.47 2kjc h HIS 47 CO -0.01 -0.64 0.00 0.94 0.86 0.00 0.00 177.93 179.08 2kjc n GLN 48 N -5.09 0.00 -0.01 2.45 -0.06 0.89 -3.18 117.38 112.39 2kjc n GLN 48 Ca -0.13 0.71 0.08 0.00 -2.00 0.00 0.00 57.00 55.65 2kjc n GLN 48 Cb 0.44 -1.11 -0.12 0.00 -4.06 0.00 0.00 30.24 25.39 2kjc n GLN 48 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2kjc n LEU 49 N -2.32 0.16 -0.87 1.69 4.32 -1.20 -5.10 117.00 113.69 2kjc n LEU 49 Ca 0.00 -0.11 0.07 0.00 -0.02 0.00 0.00 56.01 55.95 2kjc n LEU 49 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2kjc n LEU 49 CO 0.00 0.04 -0.18 -0.46 -1.22 0.00 0.00 177.39 175.57 2kjc n ASN 50 N -1.92 -3.31 0.00 -1.43 6.94 4.81 -5.00 115.26 115.36 2kjc n ASN 50 Ca -0.02 0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.94 2kjc n ASN 50 Cb 0.39 -2.73 0.00 0.00 -2.36 0.00 0.00 39.78 35.08 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2kjc n LEU 51 N -2.90 0.00 -4.15 -4.53 4.32 -1.26 -4.96 117.00 103.53 2kjc n LEU 51 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.66 2kjc n LEU 51 Cb 0.56 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.19 2kjc n LEU 51 CO 0.01 0.00 -0.53 -0.55 -1.22 0.00 0.00 177.39 175.10 2kjc s SER 52 N -4.00 2.93 0.39 -1.43 0.15 -1.26 -5.00 113.70 105.48 2kjc s SER 52 Ca 0.00 -0.55 0.12 0.00 0.70 0.00 0.00 55.95 56.22 2kjc s SER 52 Cb 0.00 -1.35 0.94 0.00 -1.71 0.00 0.00 66.02 63.90 2kjc s SER 52 CO 0.00 0.07 1.90 1.56 1.20 0.00 0.00 173.24 177.97 2kjc h GLN 53 N 7.27 0.53 -0.17 5.44 4.20 -1.96 0.26 115.11 130.68 2kjc h GLN 53 Ca -0.31 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.42 2kjc h GLN 53 Cb 1.19 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2kjc h GLN 53 CO 0.53 0.35 0.16 0.66 -0.67 0.00 0.00 178.83 179.85 2kjc h SER 54 N 0.55 0.00 -0.09 1.46 4.64 -1.99 0.26 113.55 118.38 2kjc h SER 54 Ca 0.41 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.53 2kjc h SER 54 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 2kjc h SER 54 CO -0.16 0.00 -0.71 -1.13 -0.87 0.00 0.00 176.83 173.96 2kjc h ASN 55 N 0.00 0.79 -0.15 4.97 -1.24 -0.91 -2.80 115.58 116.24 2kjc h ASN 55 Ca 0.08 -0.67 -0.06 0.00 0.71 0.00 0.00 56.30 56.37 2kjc h ASN 55 Cb 0.39 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 2kjc h ASN 55 CO -0.00 1.33 -0.14 0.58 -1.29 0.00 0.00 177.43 177.92 2kjc h VAL 56 N 0.30 1.34 -0.54 2.57 2.07 -1.15 -2.94 116.25 117.90 2kjc h VAL 56 Ca -0.06 -1.28 0.09 0.00 0.82 0.00 0.00 66.70 66.27 2kjc h VAL 56 Cb 1.36 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.90 2kjc h VAL 56 CO 0.14 0.38 0.16 0.77 0.02 0.00 0.00 177.57 179.04 2kjc h SER 57 N 0.00 0.11 -0.34 0.57 4.64 -1.08 -0.36 113.55 117.08 2kjc h SER 57 Ca 0.03 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2kjc h SER 57 Cb 0.66 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.79 2kjc h SER 57 CO 0.03 0.08 0.04 0.45 -0.87 0.00 0.00 176.83 176.57 2kjc h HIS 58 N 0.32 0.06 0.08 4.77 -0.00 -1.48 -2.20 115.15 116.70 2kjc h HIS 58 Ca 0.27 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2kjc h HIS 58 Cb 0.35 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2kjc h HIS 58 CO -0.20 -0.02 -0.04 0.37 -0.00 0.00 0.00 177.93 178.05 2kjc h GLN 59 N 0.15 -0.10 -1.52 2.45 4.15 -1.13 -2.56 115.11 116.55 2kjc h GLN 59 Ca 0.16 0.01 0.44 0.00 0.77 0.00 0.00 58.65 60.03 2kjc h GLN 59 Cb 0.20 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 2kjc h GLN 59 CO -0.24 -0.07 1.13 -0.11 -1.93 0.00 0.00 178.83 177.61 2kjc n LEU 60 N -2.29 0.00 0.12 -2.39 7.94 -0.23 0.49 117.00 120.64 2kjc n LEU 60 Ca -0.01 0.78 -0.02 0.00 -1.11 0.00 0.00 56.01 55.64 2kjc n LEU 60 Cb 0.04 -0.38 0.16 0.00 0.53 0.00 0.00 43.42 43.78 2kjc n LEU 60 CO 0.03 -0.78 0.50 0.50 -1.11 0.00 0.00 177.39 176.54 2kjc h LYS 61 N 0.00 0.07 -0.05 1.96 3.64 -0.98 -2.49 116.57 118.72 2kjc h LYS 61 Ca 0.72 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.99 2kjc h LYS 61 Cb 2.97 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.80 2kjc h LYS 61 CO -0.01 0.65 -0.22 1.25 -2.27 0.00 0.00 179.45 178.86 2kjc h LEU 62 N 0.05 0.28 -2.09 5.20 5.85 1.15 -3.11 115.31 122.64 2kjc h LEU 62 Ca -0.01 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 2kjc h LEU 62 Cb 1.08 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2kjc h LEU 62 CO 0.08 0.87 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.91 2kjc h LEU 63 N -0.29 0.00 -1.21 2.25 3.38 -1.49 -1.04 115.31 116.91 2kjc h LEU 63 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kjc h LEU 63 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2kjc h LEU 63 CO 0.05 0.08 -0.21 0.50 0.09 0.00 0.00 178.44 178.94 2kjc h LYS 64 N 0.00 0.00 0.00 1.13 3.64 -1.37 -2.61 116.57 117.35 2kjc h LYS 64 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2kjc h LYS 64 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2kjc h LYS 64 CO 0.01 0.21 -0.55 1.03 -2.27 0.00 0.00 179.45 177.89 2kjc h SER 65 N 0.00 0.00 1.52 4.20 0.87 -1.17 -3.13 113.55 115.84 2kjc h SER 65 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kjc h SER 65 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kjc h SER 65 CO 0.03 0.55 -0.28 0.58 -0.53 0.00 0.00 176.83 177.17 2kjc h VAL 66 N 0.00 0.00 0.00 2.23 2.07 -1.45 -3.47 116.25 115.63 2kjc h VAL 66 Ca -0.01 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kjc h VAL 66 Cb 1.35 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2kjc h VAL 66 CO 0.07 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.07 2kjc n HIS 67 N -2.67 0.00 -0.00 1.57 8.25 -1.07 -4.94 115.22 116.36 2kjc n HIS 67 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2kjc n HIS 67 Cb 0.50 -0.74 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2kjc n LEU 68 N 0.00 0.63 -4.52 2.41 0.00 -1.11 -4.95 117.00 109.46 2kjc n LEU 68 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 56.01 56.04 2kjc n LEU 68 Cb 0.26 0.15 -0.10 0.00 0.00 0.00 0.00 43.42 43.73 2kjc n LEU 68 CO 0.00 0.22 -0.37 -0.69 0.00 0.00 0.00 177.39 176.55 2kjc s VAL 69 N -2.87 2.07 -0.10 1.96 1.01 -1.24 -4.27 120.40 116.96 2kjc s VAL 69 Ca -0.05 -2.17 -0.05 0.00 0.00 0.00 0.00 61.98 59.71 2kjc s VAL 69 Cb 0.09 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.89 2kjc s VAL 69 CO 0.83 -0.21 0.23 -0.75 0.00 0.00 0.00 175.10 175.20 2kjc s LYS 70 N -3.65 0.20 0.06 2.72 2.20 -1.24 -4.73 119.74 115.30 2kjc s LYS 70 Ca 0.32 0.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.47 2kjc s LYS 70 Cb 0.03 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2kjc s LYS 70 CO 0.15 -0.16 0.00 0.00 -0.36 0.00 0.00 175.35 174.99 2kjc s ALA 71 N 1.20 3.30 0.12 3.13 0.00 -1.26 -3.55 121.76 124.71 2kjc s ALA 71 Ca -0.09 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.85 2kjc s ALA 71 Cb -0.10 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2kjc s ALA 71 CO -0.08 0.69 -0.09 0.15 0.00 0.00 0.00 175.76 176.43 2kjc s LYS 72 N -2.05 0.95 -0.13 0.00 1.02 -0.87 -5.04 119.74 113.63 2kjc s LYS 72 Ca 0.24 -1.36 -0.10 0.00 0.02 0.00 0.00 55.97 54.77 2kjc s LYS 72 Cb -0.12 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 2kjc s LYS 72 CO 0.16 0.05 0.20 1.03 -0.92 0.00 0.00 175.35 175.87 2kjc s ARG 73 N -3.57 3.83 -0.40 1.68 0.52 -1.26 -2.58 118.95 117.16 2kjc s ARG 73 Ca 0.13 -0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 2kjc s ARG 73 Cb 0.02 -3.29 0.16 0.00 0.52 0.00 0.00 34.95 32.37 2kjc s ARG 73 CO -0.01 0.56 0.44 -1.14 0.02 0.00 0.00 175.30 175.16 2kjc s GLN 74 N -0.44 0.76 4.78 3.54 0.74 -1.18 -4.98 119.66 122.89 2kjc s GLN 74 Ca 0.15 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.47 2kjc s GLN 74 Cb -0.13 -0.70 0.00 0.00 1.10 0.00 0.00 33.01 33.28 2kjc s GLN 74 CO 0.04 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 173.94 2kjc n GLY 75 N 3.80 1.64 0.02 2.59 0.00 -1.26 -3.19 105.19 108.80 2kjc n GLY 75 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 2.01 -4.51 1.61 6.02 -1.26 -5.02 117.38 116.23 2kjc n GLN 76 Ca 0.00 -1.31 -0.23 0.00 -0.01 0.00 0.00 57.00 55.45 2kjc n GLN 76 Cb 0.00 -0.89 -0.16 0.00 1.02 0.00 0.00 30.24 30.20 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 -0.88 1.57 -0.31 1.08 0.15 -1.19 -5.11 113.70 109.00 2kjc s SER 77 Ca 0.02 -0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.19 2kjc s SER 77 Cb 0.02 -0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2kjc s SER 77 CO 0.00 0.04 0.75 -0.04 1.20 0.00 0.00 173.24 175.19 2kjc s MET 78 N 0.56 3.93 -0.08 5.44 1.00 -1.26 -3.11 119.30 125.78 2kjc s MET 78 Ca -0.11 0.49 -0.05 0.00 0.00 0.00 0.00 55.69 56.02 2kjc s MET 78 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 34.83 30.92 2kjc s MET 78 CO 0.02 -0.66 0.14 0.42 0.00 0.00 0.00 175.02 174.94 2kjc s ILE 79 N 2.88 5.40 0.23 2.53 -1.09 -1.07 -4.68 121.20 125.40 2kjc s ILE 79 Ca 0.30 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.80 2kjc s ILE 79 Cb -0.14 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 2kjc s ILE 79 CO 0.13 0.52 0.22 -1.22 -1.23 0.00 0.00 174.94 173.35 2kjc n TYR 80 N 1.64 -1.64 0.00 3.97 4.02 -1.26 -2.04 117.16 121.85 2kjc n TYR 80 Ca -0.17 -0.93 0.00 0.00 -0.01 0.00 0.00 57.90 56.79 2kjc n TYR 80 Cb 0.54 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2kjc n TYR 80 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2kjc n SER 81 N -2.19 0.00 -4.25 7.72 3.41 -1.23 -4.59 113.62 112.49 2kjc n SER 81 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 2kjc n SER 81 Cb 0.25 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.41 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kjc n LEU 82 N 0.00 -2.14 -0.08 1.04 4.77 -1.26 -3.62 117.00 115.71 2kjc n LEU 82 Ca 0.00 -0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.57 2kjc n LEU 82 Cb 0.00 -1.02 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 2kjc n LEU 82 CO 0.00 -3.22 -0.49 -0.78 -1.33 0.00 0.00 177.39 171.57 2kjc h ASP 83 N -2.36 0.07 0.00 -1.43 3.58 -1.93 -3.43 116.42 110.93 2kjc h ASP 83 Ca -0.55 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.29 2kjc h ASP 83 Cb 1.33 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2kjc h ASP 83 CO 0.40 1.51 0.00 0.47 -2.88 0.00 0.00 179.24 178.74 2kjc n ASP 84 N -4.31 0.00 -1.10 2.28 8.00 -1.26 -5.03 116.55 115.12 2kjc n ASP 84 Ca -0.30 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.30 2kjc n ASP 84 Cb 0.72 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.87 0.10 0.53 -5.35 -1.26 -4.36 119.36 109.89 2kjc n ILE 85 Ca 0.00 -0.94 -0.23 0.00 -0.27 0.00 0.00 62.75 61.31 2kjc n ILE 85 Cb 0.00 0.62 -0.15 0.00 -1.74 0.00 0.00 39.64 38.36 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 3.67 0.80 -0.54 4.28 3.86 -2.01 -3.29 115.15 121.92 2kjc h HIS 86 Ca 0.00 -0.59 -0.08 0.00 -1.16 0.00 0.00 60.37 58.55 2kjc h HIS 86 Cb 0.90 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 2kjc h HIS 86 CO 0.36 1.61 0.03 -0.39 0.86 0.00 0.00 177.93 180.40 2kjc h VAL 87 N 0.12 1.26 0.15 2.45 -1.51 -1.99 -2.38 116.25 114.35 2kjc h VAL 87 Ca -0.30 -1.06 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2kjc h VAL 87 Cb 2.12 0.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.12 2kjc h VAL 87 CO 0.22 0.38 -0.46 0.00 -1.23 0.00 0.00 177.57 176.47 2kjc h ALA 88 N 0.96 -0.86 0.18 5.19 0.00 -1.79 -1.93 119.26 121.01 2kjc h ALA 88 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kjc h ALA 88 Cb 0.50 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2kjc h ALA 88 CO 0.02 -1.05 -0.34 1.79 0.00 0.00 0.00 179.25 179.67 2kjc h THR 89 N -0.72 0.29 -0.92 0.00 1.35 -1.62 -2.57 112.91 108.72 2kjc h THR 89 Ca 0.01 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.95 2kjc h THR 89 Cb 0.73 0.29 -0.11 0.00 -1.73 0.00 0.00 68.15 67.33 2kjc h THR 89 CO -0.24 0.00 -0.54 0.80 -0.25 0.00 0.00 175.52 175.29 2kjc n MET 90 N -5.43 -0.40 -0.20 4.72 1.56 -0.90 0.50 117.12 116.97 2kjc n MET 90 Ca -0.07 1.39 -0.00 0.00 -0.27 0.00 0.00 57.70 58.75 2kjc n MET 90 Cb 0.34 -2.05 0.08 0.00 2.15 0.00 0.00 33.22 33.74 2kjc n MET 90 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 2kjc h LEU 91 N 0.00 -0.41 0.00 -0.89 5.85 -1.08 -1.73 115.31 117.04 2kjc h LEU 91 Ca 0.15 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2kjc h LEU 91 Cb 0.38 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2kjc h LEU 91 CO -0.87 -0.16 0.00 0.29 -0.34 0.00 0.00 178.44 177.37 2kjc n LYS 92 N -5.35 0.00 -0.38 1.25 5.02 0.18 -2.34 118.16 116.55 2kjc n LYS 92 Ca 0.08 0.19 0.29 0.00 -2.02 0.00 0.00 58.31 56.85 2kjc n LYS 92 Cb 0.33 -1.18 0.45 0.00 -0.02 0.00 0.00 35.03 34.61 2kjc n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kjc n GLN 93 N -1.05 0.00 0.36 1.97 6.02 0.16 0.17 117.38 125.01 2kjc n GLN 93 Ca 0.00 0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 57.45 2kjc n GLN 93 Cb 0.00 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 2kjc n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kjc h ALA 94 N 0.54 -0.91 0.00 -1.58 0.00 -0.91 -2.61 119.26 113.80 2kjc h ALA 94 Ca 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2kjc h ALA 94 Cb 2.15 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 20.28 2kjc h ALA 94 CO -0.01 -0.93 -0.08 0.82 0.00 0.00 0.00 179.25 179.05 2kjc h ILE 95 N -1.06 0.43 0.00 0.00 1.08 0.18 -2.80 117.51 115.34 2kjc h ILE 95 Ca -0.09 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2kjc h ILE 95 Cb 0.73 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 2kjc h ILE 95 CO 0.15 0.08 0.00 1.57 -0.69 0.00 0.00 178.15 179.26 2kjc n HIS 96 N -3.53 0.00 -0.31 1.37 -0.00 -0.81 -0.41 115.22 111.53 2kjc n HIS 96 Ca -0.02 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.28 2kjc n HIS 96 Cb 0.21 -0.48 0.29 0.00 -0.12 0.00 0.00 29.99 29.88 2kjc n HIS 96 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kjc h HIS 97 N 0.00 0.73 -0.35 1.57 -0.00 -1.48 0.40 115.15 116.01 2kjc h HIS 97 Ca 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2kjc h HIS 97 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 2kjc h HIS 97 CO 0.21 0.04 0.19 0.00 -0.00 0.00 0.00 177.93 178.37 2kjc h ALA 98 N 1.66 0.44 -2.48 5.26 0.00 -1.46 -3.26 119.26 119.43 2kjc h ALA 98 Ca 0.54 -0.00 -0.78 0.00 0.00 0.00 0.00 54.91 54.66 2kjc h ALA 98 Cb 0.94 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.35 2kjc h ALA 98 CO -0.47 -0.16 0.42 -1.71 0.00 0.00 0.00 179.25 177.33 2kjc n ASN 99 N -4.91 5.46 -2.15 0.00 2.85 0.45 -4.85 115.26 112.11 2kjc n ASN 99 Ca 0.00 -3.13 -0.27 0.00 -0.11 0.00 0.00 54.58 51.07 2kjc n ASN 99 Cb 0.07 -1.30 0.06 0.00 1.24 0.00 0.00 39.78 39.85 2kjc n ASN 99 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2kjc n HIS 100 N 2.34 2.53 1.36 1.20 -0.00 -1.20 -4.59 115.22 116.85 2kjc n HIS 100 Ca 0.24 -2.59 0.00 0.00 0.46 0.00 0.00 57.72 55.83 2kjc n HIS 100 Cb 0.38 -1.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.00 2kjc n HIS 100 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kjc n PRO 101 N -0.38 0.71 0.00 1.57 -0.04 -1.26 -4.95 135.00 130.64 2kjc n PRO 101 Ca 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2kjc n PRO 101 Cb 0.62 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2kjc n PRO 101 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kjc n LYS 102 N -0.45 0.00 0.00 0.54 0.00 -1.26 -5.32 118.16 111.67 2kjc n LYS 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2kjc n LYS 102 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 2kjc n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55