#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp n GLY 2 N 0.00 3.13 0.28 7.41 0.00 -1.26 -1.42 105.19 113.33 2kjp n GLY 2 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kjp n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 3 N 0.00 0.00 -3.19 -0.61 -5.35 -1.26 -4.47 119.36 104.48 2kjp n ILE 3 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 2kjp n ILE 3 Cb 0.00 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.61 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2kjp s TYR 4 N -1.43 -1.48 -0.61 4.28 6.14 -0.51 -4.47 117.35 119.27 2kjp s TYR 4 Ca 0.00 1.49 -0.27 0.00 0.64 0.00 0.00 57.07 58.93 2kjp s TYR 4 Cb 0.00 0.44 0.00 0.00 0.42 0.00 0.00 41.96 42.82 2kjp s TYR 4 CO 0.00 -0.87 1.59 0.00 0.64 0.00 0.00 175.55 176.91 2kjp s ALA 5 N 2.80 2.53 -1.34 3.97 0.00 -0.86 0.13 121.76 128.99 2kjp s ALA 5 Ca 0.19 -0.78 0.22 0.00 0.00 0.00 0.00 51.96 51.58 2kjp s ALA 5 Cb -0.15 -4.22 -0.09 0.00 0.00 0.00 0.00 23.12 18.66 2kjp s ALA 5 CO -0.21 -3.41 1.01 0.43 0.00 0.00 0.00 175.76 173.58 2kjp n SER 6 N 10.91 1.29 -3.69 0.00 7.64 -1.26 0.58 113.62 129.10 2kjp n SER 6 Ca 0.14 -1.12 -0.02 0.00 1.01 0.00 0.00 58.87 58.88 2kjp n SER 6 Cb 0.50 0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 64.46 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kjp s SER 7 N -2.83 -0.15 -0.04 6.43 0.15 -1.26 -4.83 113.70 111.18 2kjp s SER 7 Ca 0.12 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 2kjp s SER 7 Cb 0.17 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2kjp s SER 7 CO 0.76 -0.65 0.09 0.68 1.20 0.00 0.00 173.24 175.32 2kjp s VAL 8 N -2.95 -0.01 0.22 4.45 -7.23 -1.26 -4.80 120.40 108.81 2kjp s VAL 8 Ca 0.12 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2kjp s VAL 8 Cb 0.01 -0.14 -0.08 0.00 0.56 0.00 0.00 36.38 36.72 2kjp s VAL 8 CO -0.01 0.02 1.18 -0.69 -0.31 0.00 0.00 175.10 175.29 2kjp s VAL 9 N 0.34 3.51 -0.15 1.32 1.01 -1.26 -4.92 120.40 120.25 2kjp s VAL 9 Ca -0.02 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 2kjp s VAL 9 Cb -0.04 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2kjp s VAL 9 CO -0.01 0.25 2.65 -1.84 0.00 0.00 0.00 175.10 176.14 2kjp n GLU 10 N 2.08 1.74 -0.88 2.72 0.00 -1.26 -3.68 120.64 121.37 2kjp n GLU 10 Ca 0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 57.16 56.08 2kjp n GLU 10 Cb 0.45 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 30.21 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2kjp n ASN 11 N 1.44 -0.27 -4.16 -1.84 2.85 -1.26 -5.12 115.26 106.90 2kjp n ASN 11 Ca 0.29 -1.71 -0.11 0.00 -0.11 0.00 0.00 54.58 52.94 2kjp n ASN 11 Cb 0.65 0.06 -0.10 0.00 1.24 0.00 0.00 39.78 41.63 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kjp s MET 12 N 0.00 0.81 0.47 1.20 -1.94 -1.24 -4.74 119.30 113.85 2kjp s MET 12 Ca 0.06 -1.27 0.16 0.00 -1.71 0.00 0.00 55.69 52.93 2kjp s MET 12 Cb 0.06 -0.23 1.10 0.00 2.01 0.00 0.00 34.83 37.78 2kjp s MET 12 CO -0.03 -0.01 2.02 -1.35 -0.01 0.00 0.00 175.02 175.65 2kjp h PRO 13 N 3.13 0.00 -1.79 2.03 0.11 -1.96 -3.45 132.00 130.07 2kjp h PRO 13 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2kjp h PRO 13 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kjp h PRO 13 CO 0.62 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 2kjp n ALA 14 N -2.48 -0.03 -2.56 -0.75 0.00 -1.26 -4.82 120.51 108.61 2kjp n ALA 14 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2kjp n ALA 14 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2kjp n ALA 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kjp s LYS 15 N -1.79 4.35 0.00 0.00 2.20 -1.26 -3.68 119.74 119.56 2kjp s LYS 15 Ca 0.00 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 2kjp s LYS 15 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2kjp s LYS 15 CO 0.00 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2kjp n GLY 16 N 3.30 0.69 0.00 5.54 0.00 -1.26 -4.88 105.19 108.58 2kjp n GLY 16 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kjp n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kjp n LYS 17 N -1.04 0.05 -1.60 1.61 5.02 -1.24 -4.84 118.16 116.13 2kjp n LYS 17 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2kjp n LYS 17 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 2kjp n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kjp s ILE 18 N -0.45 2.36 0.41 -0.18 -4.36 -1.26 -5.04 121.20 112.69 2kjp s ILE 18 Ca 0.00 0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.60 2kjp s ILE 18 Cb 0.00 -2.86 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 2kjp s ILE 18 CO 0.00 -0.08 0.05 1.21 0.24 0.00 0.00 174.94 176.36 2kjp n GLU 19 N -2.37 0.81 -2.22 0.37 4.07 -1.26 -4.87 120.64 115.18 2kjp n GLU 19 Ca 0.14 -3.17 -0.43 0.00 -0.06 0.00 0.00 57.16 53.64 2kjp n GLU 19 Cb 0.50 1.15 -0.02 0.00 -0.06 0.00 0.00 31.44 33.01 2kjp n GLU 19 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kjp s VAL 20 N -2.71 3.71 0.00 6.31 1.01 -1.26 -2.41 120.40 125.05 2kjp s VAL 20 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2kjp s VAL 20 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kjp s VAL 20 CO 0.05 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2kjp n GLY 21 N 5.26 0.59 3.75 4.51 0.00 0.20 -5.03 105.19 114.46 2kjp n GLY 21 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2kjp n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 22 N -2.46 4.81 0.08 1.61 1.11 -1.01 -4.69 116.67 116.12 2kjp s ASP 22 Ca 0.00 2.19 0.09 0.00 0.18 0.00 0.00 52.55 55.01 2kjp s ASP 22 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2kjp s ASP 22 CO 0.00 -1.84 -0.23 -0.54 1.18 0.00 0.00 175.17 173.74 2kjp s LYS 23 N -3.89 1.76 -0.40 8.23 1.02 -1.26 -2.02 119.74 123.19 2kjp s LYS 23 Ca 0.71 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 55.42 2kjp s LYS 23 Cb -0.25 -2.03 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 2kjp s LYS 23 CO 0.41 0.50 0.27 0.96 -0.92 0.00 0.00 175.35 176.57 2kjp s ILE 24 N -0.95 4.99 0.12 2.17 -0.00 -1.26 -2.89 121.20 123.38 2kjp s ILE 24 Ca 0.14 -0.76 -0.15 0.00 -0.00 0.00 0.00 60.65 59.88 2kjp s ILE 24 Cb -0.10 -3.80 -0.04 0.00 -0.00 0.00 0.00 42.46 38.52 2kjp s ILE 24 CO 0.05 -0.30 1.52 0.40 -0.00 0.00 0.00 174.94 176.61 2kjp h ILE 25 N 5.73 1.28 -2.47 8.37 1.08 -1.92 -3.48 117.51 126.11 2kjp h ILE 25 Ca -0.26 -1.17 0.14 0.00 -0.39 0.00 0.00 64.86 63.18 2kjp h ILE 25 Cb 1.11 1.27 -0.09 0.00 -3.07 0.00 0.00 36.82 36.04 2kjp h ILE 25 CO 0.71 0.39 0.43 -0.44 -0.69 0.00 0.00 178.15 178.55 2kjp s SER 26 N -6.33 -0.24 -0.14 1.72 0.01 -1.26 -4.84 113.70 102.62 2kjp s SER 26 Ca -0.13 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 2kjp s SER 26 Cb 0.10 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.86 2kjp s SER 26 CO 0.81 -0.92 -0.11 0.00 0.41 0.00 0.00 173.24 173.43 2kjp s ALA 27 N -3.38 1.63 -1.42 1.44 0.00 0.94 -3.19 121.76 117.78 2kjp s ALA 27 Ca 0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2kjp s ALA 27 Cb -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.10 2kjp s ALA 27 CO 0.00 -0.44 0.14 -3.47 0.00 0.00 0.00 175.76 171.99 2kjp n ASP 28 N 4.84 -4.96 0.00 0.00 2.03 -0.83 -0.05 116.55 117.59 2kjp n ASP 28 Ca -0.15 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kjp n ASP 28 Cb 0.50 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjp n GLY 29 N -1.03 2.25 3.82 0.27 0.00 -1.26 -5.02 105.19 104.23 2kjp n GLY 29 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2kjp n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s LYS 30 N -0.16 3.99 0.20 1.61 -0.14 0.93 -5.05 119.74 121.12 2kjp s LYS 30 Ca 0.00 0.47 0.11 0.00 -1.36 0.00 0.00 55.97 55.19 2kjp s LYS 30 Cb 0.00 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2kjp s LYS 30 CO 0.00 0.65 -0.21 0.54 -0.76 0.00 0.00 175.35 175.56 2kjp s ASN 31 N -0.97 3.58 -0.18 2.83 2.20 -1.26 -0.04 114.94 121.10 2kjp s ASN 31 Ca 0.25 -0.83 -0.05 0.00 -0.94 0.00 0.00 52.86 51.29 2kjp s ASN 31 Cb -0.17 -0.34 0.09 0.00 -2.00 0.00 0.00 41.25 38.83 2kjp s ASN 31 CO 0.14 0.11 0.32 -0.31 -2.94 0.00 0.00 177.10 174.43 2kjp s TYR 32 N -1.72 -0.59 0.14 1.54 2.02 -1.26 -5.04 117.35 112.44 2kjp s TYR 32 Ca 0.22 1.02 -0.14 0.00 -0.37 0.00 0.00 57.07 57.80 2kjp s TYR 32 Cb -0.08 0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 2kjp s TYR 32 CO 0.11 -0.49 1.64 1.96 -1.57 0.00 0.00 175.55 177.20 2kjp h GLN 33 N 8.24 0.72 -6.23 -0.62 1.08 -2.00 -3.42 115.11 112.87 2kjp h GLN 33 Ca -0.16 -0.18 -0.55 0.00 -1.45 0.00 0.00 58.65 56.32 2kjp h GLN 33 Cb 1.12 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.42 2kjp h GLN 33 CO 0.17 0.72 0.14 -1.54 -0.95 0.00 0.00 178.83 177.37 2kjp s SER 34 N -6.08 7.15 0.26 1.46 1.04 -1.26 -4.97 113.70 111.30 2kjp s SER 34 Ca -0.13 1.38 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 2kjp s SER 34 Cb 0.11 -2.45 0.33 0.00 0.10 0.00 0.00 66.02 64.11 2kjp s SER 34 CO 0.78 -0.01 1.79 0.00 0.98 0.00 0.00 173.24 176.78 2kjp h ALA 35 N 5.89 1.14 -0.88 5.32 0.00 -2.01 -3.02 119.26 125.70 2kjp h ALA 35 Ca -0.43 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.36 2kjp h ALA 35 Cb 1.20 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2kjp h ALA 35 CO 0.72 0.57 0.50 0.93 0.00 0.00 0.00 179.25 181.97 2kjp h GLU 36 N 0.83 0.76 -0.59 0.00 5.08 -1.96 0.08 114.58 118.78 2kjp h GLU 36 Ca 0.17 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2kjp h GLU 36 Cb 0.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2kjp h GLU 36 CO 0.01 0.50 0.15 0.87 -1.00 0.00 0.00 179.01 179.54 2kjp h LYS 37 N 0.78 0.94 -0.49 2.33 6.56 -1.93 -1.12 116.57 123.64 2kjp h LYS 37 Ca 0.44 -0.22 -0.05 0.00 -1.06 0.00 0.00 60.65 59.77 2kjp h LYS 37 Cb 0.50 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 2kjp h LYS 37 CO -0.29 0.86 0.13 1.25 -2.06 0.00 0.00 179.45 179.34 2kjp h LEU 38 N 0.85 0.73 -0.28 2.94 5.85 -1.15 0.46 115.31 124.71 2kjp h LEU 38 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kjp h LEU 38 Cb 0.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kjp h LEU 38 CO 0.00 0.77 0.14 0.40 -0.34 0.00 0.00 178.44 179.40 2kjp h ILE 39 N 0.67 1.14 -0.42 4.05 2.04 -0.88 -2.51 117.51 121.59 2kjp h ILE 39 Ca 0.15 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2kjp h ILE 39 Cb 0.31 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2kjp h ILE 39 CO -0.00 0.14 0.14 0.44 0.00 0.00 0.00 178.15 178.87 2kjp h ASP 40 N 0.32 0.56 -0.78 1.72 3.32 -1.02 -2.49 116.42 118.05 2kjp h ASP 40 Ca 0.10 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2kjp h ASP 40 Cb 0.11 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2kjp h ASP 40 CO -0.01 0.53 0.50 0.22 -1.72 0.00 0.00 179.24 178.76 2kjp h TYR 41 N 0.60 0.95 -0.56 4.55 3.20 -0.47 -1.87 116.97 123.38 2kjp h TYR 41 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2kjp h TYR 41 Cb 0.18 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2kjp h TYR 41 CO 0.01 0.56 0.24 0.82 -1.64 0.00 0.00 178.16 178.14 2kjp h ILE 42 N 1.00 1.22 -2.09 1.81 1.08 -1.22 -3.46 117.51 115.84 2kjp h ILE 42 Ca 0.31 -0.66 -0.34 0.00 -0.39 0.00 0.00 64.86 63.78 2kjp h ILE 42 Cb -0.02 0.61 -0.09 0.00 -3.07 0.00 0.00 36.82 34.25 2kjp h ILE 42 CO -0.10 0.26 -0.36 -0.24 -0.69 0.00 0.00 178.15 177.02 2kjp n SER 43 N -4.52 -4.60 -0.23 1.72 2.88 -0.70 -0.63 113.62 107.54 2kjp n SER 43 Ca 0.03 0.28 -0.03 0.00 -1.33 0.00 0.00 58.87 57.82 2kjp n SER 43 Cb 0.15 -4.03 -0.01 0.00 -0.75 0.00 0.00 64.21 59.56 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kjp n SER 44 N -1.30 -5.33 -2.99 -3.46 2.88 -1.26 -4.83 113.62 97.32 2kjp n SER 44 Ca -0.18 0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 2kjp n SER 44 Cb 0.59 -3.10 -0.01 0.00 -0.75 0.00 0.00 64.21 60.94 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kjp n LYS 45 N -0.28 0.99 -4.05 -1.46 4.76 0.19 -4.74 118.16 113.56 2kjp n LYS 45 Ca -0.03 -0.89 -0.26 0.00 -2.87 0.00 0.00 58.31 54.26 2kjp n LYS 45 Cb 0.43 -2.15 -0.05 0.00 -1.84 0.00 0.00 35.03 31.42 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kjp s LYS 46 N 3.96 3.03 0.00 1.97 1.02 -1.26 -4.61 119.74 123.85 2kjp s LYS 46 Ca 0.20 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2kjp s LYS 46 Cb 0.06 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2kjp s LYS 46 CO -0.01 0.49 0.00 0.00 -0.92 0.00 0.00 175.35 174.90 2kjp n ALA 47 N -0.45 -2.19 0.00 5.17 0.00 -1.26 -4.78 120.51 117.01 2kjp n ALA 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kjp n ALA 47 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2kjp n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjp n GLY 48 N 0.16 3.00 3.76 0.00 0.00 -1.26 -5.03 105.19 105.81 2kjp n GLY 48 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 2kjp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 49 N 0.00 5.13 0.09 1.61 1.01 -1.26 -4.89 116.67 118.35 2kjp s ASP 49 Ca 0.00 2.26 0.05 0.00 0.71 0.00 0.00 52.55 55.57 2kjp s ASP 49 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2kjp s ASP 49 CO 0.00 -1.63 -0.13 -0.75 0.21 0.00 0.00 175.17 172.88 2kjp s LYS 50 N -3.56 0.85 0.11 8.23 2.20 -1.26 -3.23 119.74 123.08 2kjp s LYS 50 Ca 0.74 -1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2kjp s LYS 50 Cb -0.27 -0.74 0.08 0.00 -1.51 0.00 0.00 37.83 35.39 2kjp s LYS 50 CO 0.35 0.15 0.70 0.54 -0.36 0.00 0.00 175.35 176.73 2kjp s VAL 51 N -1.76 0.00 -0.27 4.02 0.11 -1.26 -5.05 120.40 116.19 2kjp s VAL 51 Ca 0.02 -0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 2kjp s VAL 51 Cb -0.07 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 2kjp s VAL 51 CO 0.02 0.00 0.17 -0.89 -3.33 0.00 0.00 175.10 171.07 2kjp s THR 52 N -3.55 5.24 -0.17 5.04 2.01 -1.26 -4.62 115.64 118.33 2kjp s THR 52 Ca 0.03 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 2kjp s THR 52 Cb -0.01 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2kjp s THR 52 CO -0.11 0.28 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.26 2kjp s LEU 53 N 1.58 2.85 -0.17 4.42 1.43 -1.26 -1.96 118.68 125.58 2kjp s LEU 53 Ca 0.07 -0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 2kjp s LEU 53 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2kjp s LEU 53 CO 0.09 0.10 0.61 -0.54 0.23 0.00 0.00 176.35 176.85 2kjp s LYS 54 N 0.75 4.26 0.10 1.70 1.02 -1.19 -4.72 119.74 121.65 2kjp s LYS 54 Ca -0.04 0.63 0.10 0.00 0.02 0.00 0.00 55.97 56.68 2kjp s LYS 54 Cb -0.15 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2kjp s LYS 54 CO 0.02 -0.13 -0.24 0.42 -0.92 0.00 0.00 175.35 174.49 2kjp s ILE 55 N 1.55 2.42 -0.15 2.17 -1.09 -1.26 -3.13 121.20 121.70 2kjp s ILE 55 Ca 0.29 -1.56 0.01 0.00 -2.23 0.00 0.00 60.65 57.16 2kjp s ILE 55 Cb -0.16 -2.05 -0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2kjp s ILE 55 CO 0.11 0.18 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.15 2kjp s GLU 56 N -1.82 3.21 -0.17 2.79 2.12 -1.14 -3.67 118.70 120.02 2kjp s GLU 56 Ca 0.14 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.69 2kjp s GLU 56 Cb -0.10 -2.60 0.05 0.00 0.26 0.00 0.00 34.13 31.74 2kjp s GLU 56 CO 0.06 0.03 0.04 1.03 -0.54 0.00 0.00 175.26 175.88 2kjp s ARG 57 N 0.78 0.56 -1.58 4.30 0.52 -0.91 -4.13 118.95 118.48 2kjp s ARG 57 Ca -0.06 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.78 2kjp s ARG 57 Cb -0.15 -1.85 0.09 0.00 0.52 0.00 0.00 34.95 33.55 2kjp s ARG 57 CO 0.00 -0.58 0.59 0.39 0.02 0.00 0.00 175.30 175.73 2kjp n GLU 58 N 5.10 -3.04 -2.68 3.54 1.02 -1.26 -0.03 120.64 123.28 2kjp n GLU 58 Ca -0.08 0.36 -0.17 0.00 -0.02 0.00 0.00 57.16 57.24 2kjp n GLU 58 Cb 0.48 -4.77 0.02 0.00 -0.02 0.00 0.00 31.44 27.14 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kjp n GLU 59 N -4.41 -3.08 -3.75 3.49 4.71 -1.26 -5.01 120.64 111.34 2kjp n GLU 59 Ca -0.10 0.76 -0.26 0.00 -0.01 0.00 0.00 57.16 57.55 2kjp n GLU 59 Cb 0.58 -5.22 -0.17 0.00 -1.01 0.00 0.00 31.44 25.62 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2kjp s LYS 60 N -5.26 0.67 0.15 3.49 -0.14 0.95 -5.14 119.74 114.47 2kjp s LYS 60 Ca 0.16 -0.26 -0.23 0.00 -1.36 0.00 0.00 55.97 54.29 2kjp s LYS 60 Cb -0.07 -1.75 -0.08 0.00 -1.68 0.00 0.00 37.83 34.25 2kjp s LYS 60 CO 0.20 -0.53 0.71 -1.21 -0.76 0.00 0.00 175.35 173.76 2kjp s GLU 61 N 1.89 4.41 -0.15 1.68 2.02 -1.26 -2.14 118.70 125.15 2kjp s GLU 61 Ca 0.01 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 2kjp s GLU 61 Cb -0.15 -3.19 0.05 0.00 0.10 0.00 0.00 34.13 30.93 2kjp s GLU 61 CO -0.07 0.57 0.03 0.15 0.02 0.00 0.00 175.26 175.95 2kjp s LYS 62 N -1.27 0.56 -0.26 1.61 1.02 -1.24 -5.04 119.74 115.13 2kjp s LYS 62 Ca 0.35 -0.19 -0.21 0.00 0.02 0.00 0.00 55.97 55.94 2kjp s LYS 62 Cb -0.21 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2kjp s LYS 62 CO 0.23 -0.52 0.67 1.03 -0.92 0.00 0.00 175.35 175.84 2kjp s ARG 63 N 1.93 4.10 -0.02 1.68 0.52 -1.26 -4.49 118.95 121.40 2kjp s ARG 63 Ca 0.02 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.83 2kjp s ARG 63 Cb -0.15 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.67 2kjp s ARG 63 CO -0.07 -0.45 -0.05 0.08 0.02 0.00 0.00 175.30 174.82 2kjp s VAL 64 N 2.59 0.53 -0.30 3.52 1.01 -1.26 -5.13 120.40 121.35 2kjp s VAL 64 Ca 0.28 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 2kjp s VAL 64 Cb -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2kjp s VAL 64 CO 0.09 0.19 0.57 -0.89 0.00 0.00 0.00 175.10 175.06 2kjp s THR 65 N 0.40 4.99 0.13 3.92 2.01 -1.26 -4.70 115.64 121.14 2kjp s THR 65 Ca -0.05 0.75 0.03 0.00 0.31 0.00 0.00 61.69 62.73 2kjp s THR 65 Cb -0.09 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2kjp s THR 65 CO -0.00 -0.09 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.54 2kjp s LEU 66 N 2.48 2.49 -0.13 4.42 1.98 -1.26 -5.11 118.68 123.54 2kjp s LEU 66 Ca 0.23 -1.03 -0.05 0.00 -2.89 0.00 0.00 54.13 50.39 2kjp s LEU 66 Cb -0.15 -0.23 -0.04 0.00 0.66 0.00 0.00 46.19 46.44 2kjp s LEU 66 CO 0.11 -0.40 0.03 -0.89 -1.89 0.00 0.00 176.35 173.31 2kjp s THR 67 N -3.46 4.52 1.14 3.68 2.01 -1.26 -4.36 115.64 117.91 2kjp s THR 67 Ca 0.16 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 2kjp s THR 67 Cb 0.04 -2.97 0.22 0.00 0.01 0.00 0.00 72.50 69.80 2kjp s THR 67 CO -0.01 0.54 0.73 0.18 -0.69 0.00 0.00 174.62 175.37 2kjp n LEU 68 N 2.83 -1.28 -3.97 4.42 4.32 -1.20 -4.98 117.00 117.14 2kjp n LEU 68 Ca -0.18 -0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 55.63 2kjp n LEU 68 Cb 0.53 -1.19 -0.07 0.00 -1.62 0.00 0.00 43.42 41.07 2kjp n LEU 68 CO 0.32 -3.18 -0.02 -0.54 -1.22 0.00 0.00 177.39 172.75 2kjp s LYS 69 N -4.12 1.17 -0.01 3.23 -0.14 -1.26 -4.05 119.74 114.56 2kjp s LYS 69 Ca 0.65 -1.19 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 2kjp s LYS 69 Cb -0.22 0.38 -0.00 0.00 -1.68 0.00 0.00 37.83 36.31 2kjp s LYS 69 CO 0.65 -0.43 -0.09 1.14 -0.76 0.00 0.00 175.35 175.86 2kjp s GLN 70 N -3.97 0.82 -0.30 1.68 0.00 -1.26 -4.43 119.66 112.19 2kjp s GLN 70 Ca 0.18 -0.33 -0.35 0.00 -0.00 0.00 0.00 55.36 54.86 2kjp s GLN 70 Cb 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 33.01 32.15 2kjp s GLN 70 CO 0.01 0.18 2.11 1.19 0.00 0.00 0.00 175.29 178.78 2kjp n PHE 71 N 2.95 1.77 -0.24 9.60 3.72 -1.26 -4.86 117.46 129.14 2kjp n PHE 71 Ca -0.15 0.22 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 2kjp n PHE 71 Cb 0.56 -2.56 0.04 0.00 -0.94 0.00 0.00 39.48 36.58 2kjp n PHE 71 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kjp h PRO 72 N 11.77 -0.08 0.00 -1.08 0.11 -1.95 0.15 132.00 140.92 2kjp h PRO 72 Ca -0.33 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kjp h PRO 72 Cb 1.31 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2kjp h PRO 72 CO 1.00 -0.05 0.02 -0.40 -0.21 0.00 0.00 178.00 178.36 2kjp n ASP 73 N -5.46 0.00 -3.31 -2.05 5.75 -1.26 -3.30 116.55 106.92 2kjp n ASP 73 Ca 0.07 0.21 -0.25 0.00 -0.01 0.00 0.00 54.79 54.81 2kjp n ASP 73 Cb 0.37 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 40.17 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjp n GLU 74 N -1.18 0.34 0.04 0.11 1.02 0.51 -4.97 120.64 116.51 2kjp n GLU 74 Ca 0.00 -3.12 0.13 0.00 -0.02 0.00 0.00 57.16 54.15 2kjp n GLU 74 Cb 0.02 -1.54 0.50 0.00 -0.02 0.00 0.00 31.44 30.40 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kjp n PRO 75 N 2.46 0.10 0.08 3.49 -0.04 -1.21 -2.92 135.00 136.97 2kjp n PRO 75 Ca 0.27 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2kjp n PRO 75 Cb 0.50 -1.63 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 76 N -1.80 0.76 -4.06 3.54 8.00 -1.26 -4.90 116.55 116.82 2kjp n ASP 76 Ca 0.06 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 55.61 2kjp n ASP 76 Cb 0.33 0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 41.79 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kjp s ARG 77 N -3.31 0.61 0.04 -1.24 0.52 -1.15 -5.17 118.95 109.26 2kjp s ARG 77 Ca 0.01 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2kjp s ARG 77 Cb 0.11 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.06 2kjp s ARG 77 CO 0.78 0.11 0.01 0.00 0.02 0.00 0.00 175.30 176.22 2kjp s ALA 78 N -0.94 0.21 0.10 2.13 0.00 -1.26 -4.54 121.76 117.46 2kjp s ALA 78 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2kjp s ALA 78 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kjp s ALA 78 CO 0.01 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2kjp n GLY 79 N 0.81 -1.45 3.40 0.00 0.00 -1.26 -4.77 105.19 101.93 2kjp n GLY 79 Ca -0.19 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 2kjp n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kjp s ILE 80 N -0.76 0.02 0.00 -0.61 1.10 -1.26 -5.05 121.20 114.65 2kjp s ILE 80 Ca 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 59.95 2kjp s ILE 80 Cb 0.00 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.78 2kjp s ILE 80 CO 0.00 -0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.34 2kjp n GLY 81 N 1.17 0.72 3.72 1.50 0.00 -1.26 -4.96 105.19 106.08 2kjp n GLY 81 Ca -0.20 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2kjp n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjp s VAL 82 N 2.53 3.02 0.62 1.61 1.01 -1.26 -4.98 120.40 122.96 2kjp s VAL 82 Ca 0.00 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 2kjp s VAL 82 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2kjp s VAL 82 CO 0.00 0.08 1.14 -0.55 0.00 0.00 0.00 175.10 175.77 2kjp s SER 83 N 0.91 5.17 0.32 3.32 0.15 -1.26 -4.97 113.70 117.34 2kjp s SER 83 Ca 0.64 2.16 -0.29 0.00 0.70 0.00 0.00 55.95 59.17 2kjp s SER 83 Cb -0.39 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.24 2kjp s SER 83 CO 0.33 -1.60 1.29 -0.76 1.20 0.00 0.00 173.24 173.71 2kjp s LEU 84 N -4.47 4.44 0.00 3.45 1.02 -1.26 -4.88 118.68 116.98 2kjp s LEU 84 Ca 0.71 2.64 0.00 0.00 0.02 0.00 0.00 54.13 57.50 2kjp s LEU 84 Cb -0.24 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.32 2kjp s LEU 84 CO 0.36 -0.50 0.51 -0.62 0.02 0.00 0.00 176.35 176.12 2kjp n GLU 85 N 0.96 0.84 -1.55 1.70 1.02 -1.26 -4.82 120.64 117.54 2kjp n GLU 85 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.78 2kjp n GLU 85 Cb 0.42 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 2kjp n GLU 85 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kjp n HIS 86 N -0.04 1.38 -2.12 -0.32 -0.00 -1.26 -4.90 115.22 107.96 2kjp n HIS 86 Ca 0.00 0.13 -0.41 0.00 0.46 0.00 0.00 57.72 57.90 2kjp n HIS 86 Cb 0.17 -2.62 -0.02 0.00 -0.12 0.00 0.00 29.99 27.39 2kjp n HIS 86 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjp s HIS 87 N 11.94 3.11 0.35 1.57 3.76 -1.26 -4.97 115.29 129.78 2kjp s HIS 87 Ca 1.01 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 56.88 2kjp s HIS 87 Cb -0.26 -3.70 -0.09 0.00 1.11 0.00 0.00 32.58 29.64 2kjp s HIS 87 CO 0.28 -2.11 1.23 -1.01 -0.85 0.00 0.00 174.74 172.28 2kjp s HIS 88 N -0.40 3.13 0.23 1.40 3.76 -1.26 -4.93 115.29 117.22 2kjp s HIS 88 Ca 0.55 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.89 2kjp s HIS 88 Cb -0.39 -3.53 0.21 0.00 1.11 0.00 0.00 32.58 29.98 2kjp s HIS 88 CO 0.45 -1.48 1.88 0.45 -0.85 0.00 0.00 174.74 175.19 2kjp h HIS 89 N 3.20 1.18 -4.14 1.40 3.86 -2.04 -3.42 115.15 115.18 2kjp h HIS 89 Ca -0.48 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.20 2kjp h HIS 89 Cb 1.23 -0.39 0.13 0.00 1.06 0.00 0.00 27.41 29.44 2kjp h HIS 89 CO 0.56 0.78 0.43 -1.58 0.86 0.00 0.00 177.93 178.98 2kjp s HIS 90 N -5.99 2.29 -2.00 2.45 5.65 -1.26 -5.35 115.29 111.08 2kjp s HIS 90 Ca -0.13 1.55 0.02 0.00 0.25 0.00 0.00 55.06 56.75 2kjp s HIS 90 Cb 0.17 -3.44 0.11 0.00 -1.18 0.00 0.00 32.58 28.24 2kjp s HIS 90 CO 0.81 -2.30 0.60 0.72 -0.65 0.00 0.00 174.74 173.92