#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp h GLY 2 N 0.00 -0.46 0.16 4.83 0.00 -1.98 -3.19 103.07 102.43 2kjp h GLY 2 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2kjp h GLY 2 CO 0.00 -0.17 -0.37 0.29 0.00 0.00 0.00 176.54 176.29 2kjp n ILE 3 N -5.14 0.00 -3.35 2.60 -5.35 -1.26 -4.71 119.36 102.15 2kjp n ILE 3 Ca -0.10 -0.12 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 2kjp n ILE 3 Cb 0.27 0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 38.63 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 -2.61 -0.71 1.00 4.28 5.04 -1.23 -4.38 117.35 118.75 2kjp s TYR 4 Ca 0.20 -0.03 -0.14 0.00 -2.44 0.00 0.00 57.07 54.66 2kjp s TYR 4 Cb 0.19 -0.31 0.19 0.00 0.35 0.00 0.00 41.96 42.38 2kjp s TYR 4 CO 0.58 -0.96 1.12 0.00 -1.34 0.00 0.00 175.55 174.95 2kjp s ALA 5 N 2.31 1.24 0.00 3.97 0.00 -1.21 -0.44 121.76 127.64 2kjp s ALA 5 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kjp s ALA 5 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kjp s ALA 5 CO -0.28 -2.76 0.00 -1.13 0.00 0.00 0.00 175.76 171.60 2kjp n SER 6 N -4.11 0.00 -3.57 0.00 3.41 -1.26 -3.11 113.62 104.98 2kjp n SER 6 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.68 2kjp n SER 6 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kjp s SER 7 N -0.84 -0.45 -0.01 4.04 1.04 -1.26 -4.38 113.70 111.84 2kjp s SER 7 Ca 0.00 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.13 2kjp s SER 7 Cb 0.00 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2kjp s SER 7 CO 0.00 -0.11 -0.03 -0.69 0.98 0.00 0.00 173.24 173.39 2kjp s VAL 8 N 1.59 0.26 0.41 5.02 1.01 -1.26 -5.03 120.40 122.40 2kjp s VAL 8 Ca -0.07 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 2kjp s VAL 8 Cb -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 36.38 36.00 2kjp s VAL 8 CO -0.15 0.09 1.33 0.52 0.00 0.00 0.00 175.10 176.89 2kjp n VAL 9 N 3.13 2.45 0.00 2.92 0.31 -1.26 -5.01 118.33 120.87 2kjp n VAL 9 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2kjp n VAL 9 Cb 0.58 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2kjp n VAL 9 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kjp n GLU 10 N 0.13 0.00 -1.55 5.55 4.07 -1.26 -4.79 120.64 122.78 2kjp n GLU 10 Ca 0.05 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.96 2kjp n GLU 10 Cb 0.39 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.69 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2kjp n ASN 11 N 0.00 -5.39 -4.40 4.31 2.85 -1.26 -4.97 115.26 106.41 2kjp n ASN 11 Ca 0.00 0.47 -0.20 0.00 -0.11 0.00 0.00 54.58 54.74 2kjp n ASN 11 Cb 0.00 -4.56 -0.10 0.00 1.24 0.00 0.00 39.78 36.36 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 -3.60 1.52 0.43 1.20 -1.94 -1.26 -4.72 119.30 110.93 2kjp s MET 12 Ca 0.00 -1.81 0.14 0.00 -1.71 0.00 0.00 55.69 52.31 2kjp s MET 12 Cb 0.00 -0.78 1.04 0.00 2.01 0.00 0.00 34.83 37.10 2kjp s MET 12 CO 0.00 -0.14 1.96 -1.35 -0.01 0.00 0.00 175.02 175.48 2kjp h PRO 13 N 2.27 0.40 -0.34 2.03 0.11 -1.96 -3.44 132.00 131.07 2kjp h PRO 13 Ca -0.40 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2kjp h PRO 13 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2kjp h PRO 13 CO 0.67 0.26 -0.02 0.00 -0.21 0.00 0.00 178.00 178.70 2kjp n ALA 14 N -2.52 -0.02 -2.60 -0.75 0.00 -1.26 -4.84 120.51 108.52 2kjp n ALA 14 Ca 0.11 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2kjp n ALA 14 Cb 0.42 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.00 3.73 0.00 0.00 2.20 -1.26 -3.41 119.74 120.00 2kjp s LYS 15 Ca 0.00 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2kjp s LYS 15 Cb 0.00 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2kjp s LYS 15 CO 0.00 -1.36 0.00 0.41 -0.36 0.00 0.00 175.35 174.04 2kjp n GLY 16 N 4.82 2.46 2.91 5.54 0.00 -1.26 -4.91 105.19 114.75 2kjp n GLY 16 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2kjp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kjp s LYS 17 N -0.19 1.54 0.06 1.61 -2.85 -1.22 -4.83 119.74 113.86 2kjp s LYS 17 Ca 0.00 -0.81 0.04 0.00 -1.00 0.00 0.00 55.97 54.20 2kjp s LYS 17 Cb 0.00 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.35 2kjp s LYS 17 CO 0.00 -0.55 -0.12 -1.50 0.10 0.00 0.00 175.35 173.28 2kjp s ILE 18 N 1.49 0.91 -0.23 3.79 1.10 -1.26 -4.46 121.20 122.54 2kjp s ILE 18 Ca -0.03 -1.19 -0.03 0.00 -0.51 0.00 0.00 60.65 58.88 2kjp s ILE 18 Cb -0.18 -0.90 0.10 0.00 0.15 0.00 0.00 42.46 41.63 2kjp s ILE 18 CO -0.07 -0.25 0.20 -1.61 -2.11 0.00 0.00 174.94 171.10 2kjp s GLU 19 N -1.61 0.20 -0.46 3.50 2.02 -1.26 -4.92 118.70 116.16 2kjp s GLU 19 Ca -0.04 -0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.00 2kjp s GLU 19 Cb -0.10 -1.20 0.31 0.00 0.10 0.00 0.00 34.13 33.25 2kjp s GLU 19 CO 0.02 -0.78 1.11 1.33 0.02 0.00 0.00 175.26 176.96 2kjp n VAL 20 N 5.30 0.00 0.00 2.63 0.24 -1.26 -4.00 118.33 121.24 2kjp n VAL 20 Ca -0.05 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 2kjp n VAL 20 Cb 0.48 1.48 0.00 0.00 -1.47 0.00 0.00 33.84 34.33 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kjp n GLY 21 N 0.49 2.58 3.48 7.63 0.00 -1.18 -4.76 105.19 113.42 2kjp n GLY 21 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2kjp n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kjp n ASP 22 N 0.00 -1.66 -4.27 1.61 5.75 -1.26 -4.60 116.55 112.12 2kjp n ASP 22 Ca 0.00 -0.14 -0.30 0.00 -0.01 0.00 0.00 54.79 54.34 2kjp n ASP 22 Cb 0.00 -1.27 -0.16 0.00 -1.03 0.00 0.00 41.12 38.66 2kjp n ASP 22 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kjp s LYS 23 N -4.41 2.04 -0.31 0.11 1.02 -1.26 -3.29 119.74 113.65 2kjp s LYS 23 Ca 0.69 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 2kjp s LYS 23 Cb -0.26 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 2kjp s LYS 23 CO 0.65 0.49 0.20 0.96 -0.92 0.00 0.00 175.35 176.73 2kjp s ILE 24 N -0.49 5.14 -0.02 2.17 -0.00 -1.26 -2.98 121.20 123.76 2kjp s ILE 24 Ca 0.07 -0.10 -0.26 0.00 -0.00 0.00 0.00 60.65 60.37 2kjp s ILE 24 Cb -0.10 -3.55 -0.20 0.00 -0.00 0.00 0.00 42.46 38.61 2kjp s ILE 24 CO -0.00 0.12 1.26 0.40 -0.00 0.00 0.00 174.94 176.72 2kjp h ILE 25 N 5.47 1.36 -2.23 8.37 2.04 -1.94 -3.48 117.51 127.10 2kjp h ILE 25 Ca -0.33 -1.12 0.16 0.00 1.00 0.00 0.00 64.86 64.56 2kjp h ILE 25 Cb 1.17 2.12 -0.12 0.00 -0.74 0.00 0.00 36.82 39.25 2kjp h ILE 25 CO 0.60 0.29 0.52 -0.44 0.00 0.00 0.00 178.15 179.12 2kjp s SER 26 N -5.67 -0.25 -0.05 1.72 0.01 -1.26 -4.71 113.70 103.48 2kjp s SER 26 Ca -0.16 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2kjp s SER 26 Cb 0.02 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2kjp s SER 26 CO 0.67 -0.71 -0.15 0.00 0.41 0.00 0.00 173.24 173.46 2kjp s ALA 27 N -3.12 1.40 -1.43 1.44 0.00 -1.13 -3.26 121.76 115.65 2kjp s ALA 27 Ca 0.09 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 2kjp s ALA 27 Cb -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.62 2kjp s ALA 27 CO -0.04 0.20 0.59 -3.47 0.00 0.00 0.00 175.76 173.05 2kjp n ASP 28 N 3.43 -5.05 0.00 0.00 -0.08 0.22 -0.41 116.55 114.66 2kjp n ASP 28 Ca -0.20 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 2kjp n ASP 28 Cb 0.53 -4.11 0.00 0.00 2.34 0.00 0.00 41.12 39.88 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kjp n GLY 29 N -1.39 0.26 3.60 0.27 0.00 -1.26 -4.94 105.19 101.73 2kjp n GLY 29 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2kjp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 30 N -0.79 3.96 0.89 1.61 2.20 0.45 -5.07 119.74 122.98 2kjp s LYS 30 Ca 0.00 0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 2kjp s LYS 30 Cb 0.00 -3.69 0.12 0.00 -1.51 0.00 0.00 37.83 32.76 2kjp s LYS 30 CO 0.00 -0.39 1.13 -0.80 -0.36 0.00 0.00 175.35 174.92 2kjp s ASN 31 N 1.61 3.71 -0.06 1.43 0.02 -1.26 -2.83 114.94 117.56 2kjp s ASN 31 Ca 0.19 1.04 -0.04 0.00 -1.02 0.00 0.00 52.86 53.02 2kjp s ASN 31 Cb -0.16 -1.65 0.02 0.00 0.02 0.00 0.00 41.25 39.49 2kjp s ASN 31 CO 0.10 -2.43 0.15 -0.31 0.02 0.00 0.00 177.10 174.64 2kjp s TYR 32 N -3.25 -0.17 -0.02 2.20 2.02 -1.26 -4.96 117.35 111.90 2kjp s TYR 32 Ca 0.63 0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 57.69 2kjp s TYR 32 Cb -0.15 0.01 -0.30 0.00 -0.40 0.00 0.00 41.96 41.12 2kjp s TYR 32 CO 0.53 -0.12 0.79 0.37 -1.57 0.00 0.00 175.55 175.56 2kjp h GLN 33 N 6.40 0.36 -3.90 -0.62 4.15 -1.98 -3.48 115.11 116.03 2kjp h GLN 33 Ca -0.32 -0.61 -0.10 0.00 0.77 0.00 0.00 58.65 58.39 2kjp h GLN 33 Cb 1.18 0.23 -0.15 0.00 0.21 0.00 0.00 27.48 28.95 2kjp h GLN 33 CO 0.42 1.25 -0.47 -1.12 -1.93 0.00 0.00 178.83 176.98 2kjp s SER 34 N -7.21 0.22 0.37 -0.69 0.01 -1.26 -5.04 113.70 100.10 2kjp s SER 34 Ca -0.12 -0.71 0.14 0.00 1.31 0.00 0.00 55.95 56.57 2kjp s SER 34 Cb 0.06 0.29 0.97 0.00 0.21 0.00 0.00 66.02 67.54 2kjp s SER 34 CO 0.87 -0.66 1.80 0.00 0.41 0.00 0.00 173.24 175.66 2kjp h ALA 35 N 3.01 2.02 -0.61 1.44 0.00 -1.95 -1.05 119.26 122.12 2kjp h ALA 35 Ca -0.34 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2kjp h ALA 35 Cb 1.18 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2kjp h ALA 35 CO 0.58 -0.37 0.20 0.93 0.00 0.00 0.00 179.25 180.58 2kjp h GLU 36 N 0.53 0.34 -0.41 0.00 5.08 -1.99 -0.93 114.58 117.21 2kjp h GLU 36 Ca 0.54 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 2kjp h GLU 36 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2kjp h GLU 36 CO -0.28 0.23 0.21 0.87 -1.00 0.00 0.00 179.01 179.04 2kjp h LYS 37 N 0.35 0.58 -0.28 2.33 6.56 -1.61 0.02 116.57 124.53 2kjp h LYS 37 Ca 0.32 -0.08 0.03 0.00 -1.06 0.00 0.00 60.65 59.86 2kjp h LYS 37 Cb 0.43 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2kjp h LYS 37 CO -0.35 0.49 0.09 1.25 -2.06 0.00 0.00 179.45 178.87 2kjp h LEU 38 N 0.53 0.08 -0.16 2.94 5.85 -1.13 0.39 115.31 123.81 2kjp h LEU 38 Ca 0.14 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kjp h LEU 38 Cb 0.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2kjp h LEU 38 CO -0.02 0.08 0.08 0.40 -0.34 0.00 0.00 178.44 178.64 2kjp h ILE 39 N 0.20 1.12 -0.72 4.05 2.04 -1.07 -2.55 117.51 120.59 2kjp h ILE 39 Ca 0.12 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2kjp h ILE 39 Cb 0.10 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2kjp h ILE 39 CO -0.14 0.12 0.43 0.44 0.00 0.00 0.00 178.15 179.00 2kjp h ASP 40 N 0.14 0.67 -0.25 1.72 3.32 -0.51 -1.29 116.42 120.22 2kjp h ASP 40 Ca 0.06 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.16 2kjp h ASP 40 Cb 0.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2kjp h ASP 40 CO -0.01 0.45 0.04 0.22 -1.72 0.00 0.00 179.24 178.22 2kjp h TYR 41 N 0.81 0.06 -0.10 4.55 3.20 0.03 -2.73 116.97 122.79 2kjp h TYR 41 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 2kjp h TYR 41 Cb 0.12 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2kjp h TYR 41 CO -0.05 0.01 0.05 0.82 -1.64 0.00 0.00 178.16 177.35 2kjp h ILE 42 N 0.13 1.08 -3.92 1.81 2.04 -1.05 -3.46 117.51 114.14 2kjp h ILE 42 Ca 0.12 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 2kjp h ILE 42 Cb 0.13 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2kjp h ILE 42 CO -0.16 0.07 -0.21 -1.20 0.00 0.00 0.00 178.15 176.65 2kjp n SER 43 N -4.98 -2.87 -2.02 1.72 7.64 -0.52 -3.05 113.62 109.53 2kjp n SER 43 Ca -0.05 0.28 -0.00 0.00 1.01 0.00 0.00 58.87 60.11 2kjp n SER 43 Cb 0.07 -2.53 -0.00 0.00 -1.01 0.00 0.00 64.21 60.74 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kjp n SER 44 N -1.51 -4.12 -2.79 6.43 2.88 -1.26 -5.04 113.62 108.21 2kjp n SER 44 Ca -0.10 0.62 -0.02 0.00 -1.33 0.00 0.00 58.87 58.05 2kjp n SER 44 Cb 0.54 -2.89 0.06 0.00 -0.75 0.00 0.00 64.21 61.17 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 0.37 1.59 -3.18 -1.46 5.02 -1.17 -5.12 118.16 114.21 2kjp n LYS 45 Ca -0.03 -3.13 -0.20 0.00 -2.02 0.00 0.00 58.31 52.93 2kjp n LYS 45 Cb 0.04 -1.25 0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2kjp n LYS 45 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kjp s LYS 46 N -3.10 2.44 -0.11 1.97 0.00 -1.26 -4.60 119.74 115.08 2kjp s LYS 46 Ca 0.25 -1.59 -0.03 0.00 0.00 0.00 0.00 55.97 54.60 2kjp s LYS 46 Cb 0.36 -2.58 0.01 0.00 0.00 0.00 0.00 37.83 35.62 2kjp s LYS 46 CO -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 175.35 174.73 2kjp n ALA 47 N -2.03 -3.27 0.00 0.59 0.00 -1.22 -4.56 120.51 110.02 2kjp n ALA 47 Ca 0.11 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2kjp n ALA 47 Cb 0.61 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.53 2.75 3.69 0.00 0.00 -1.25 -5.00 105.19 105.91 2kjp n GLY 48 Ca -0.10 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 3.27 0.02 1.61 1.01 -1.26 -4.83 116.67 116.48 2kjp s ASP 49 Ca 0.00 1.80 0.03 0.00 0.71 0.00 0.00 52.55 55.09 2kjp s ASP 49 Cb 0.00 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2kjp s ASP 49 CO 0.00 -2.82 -0.11 -0.54 0.21 0.00 0.00 175.17 171.92 2kjp s LYS 50 N -4.78 0.76 0.07 8.23 1.02 -1.26 -2.84 119.74 120.94 2kjp s LYS 50 Ca 0.64 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 56.01 2kjp s LYS 50 Cb -0.20 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 2kjp s LYS 50 CO 0.58 0.18 0.15 0.14 -0.92 0.00 0.00 175.35 175.48 2kjp s VAL 51 N -0.63 0.15 -0.28 3.17 -7.23 -1.26 -5.05 120.40 109.27 2kjp s VAL 51 Ca 0.01 -1.22 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2kjp s VAL 51 Cb -0.06 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2kjp s VAL 51 CO 0.00 -0.68 0.12 -0.89 -0.31 0.00 0.00 175.10 173.35 2kjp s THR 52 N -3.57 4.59 -0.17 5.32 2.01 -1.26 -4.62 115.64 117.94 2kjp s THR 52 Ca 0.03 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2kjp s THR 52 Cb 0.04 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.34 2kjp s THR 52 CO -0.09 0.21 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.65 2kjp s LEU 53 N 1.64 1.97 0.02 4.42 2.96 -1.26 -0.61 118.68 127.82 2kjp s LEU 53 Ca 0.06 -0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 2kjp s LEU 53 Cb -0.16 -1.37 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 2kjp s LEU 53 CO 0.06 -0.02 0.45 -0.54 -1.32 0.00 0.00 176.35 174.98 2kjp s LYS 54 N 1.34 3.98 0.17 1.98 1.02 -1.20 -4.76 119.74 122.27 2kjp s LYS 54 Ca 0.05 0.49 0.09 0.00 0.02 0.00 0.00 55.97 56.62 2kjp s LYS 54 Cb -0.13 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2kjp s LYS 54 CO -0.12 0.68 -0.20 0.42 -0.92 0.00 0.00 175.35 175.20 2kjp s ILE 55 N -1.10 1.99 -0.13 2.17 -1.09 -1.26 -3.49 121.20 118.30 2kjp s ILE 55 Ca 0.25 -1.94 0.00 0.00 -2.23 0.00 0.00 60.65 56.74 2kjp s ILE 55 Cb -0.17 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.77 2kjp s ILE 55 CO 0.15 -0.24 -0.14 -0.70 -1.23 0.00 0.00 174.94 172.78 2kjp s GLU 56 N -2.71 3.34 -0.24 2.79 2.12 -1.16 -3.74 118.70 119.10 2kjp s GLU 56 Ca 0.17 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.76 2kjp s GLU 56 Cb -0.07 -2.60 0.08 0.00 0.26 0.00 0.00 34.13 31.80 2kjp s GLU 56 CO 0.08 0.19 0.09 1.03 -0.54 0.00 0.00 175.26 176.10 2kjp s ARG 57 N 0.40 0.38 -1.38 4.30 0.52 0.65 -4.37 118.95 119.45 2kjp s ARG 57 Ca -0.11 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2kjp s ARG 57 Cb -0.16 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2kjp s ARG 57 CO 0.06 -0.82 0.43 0.39 0.02 0.00 0.00 175.30 175.37 2kjp n GLU 58 N 5.13 -2.71 -2.41 3.54 4.71 -1.26 -0.61 120.64 127.02 2kjp n GLU 58 Ca -0.06 0.37 -0.14 0.00 -0.01 0.00 0.00 57.16 57.31 2kjp n GLU 58 Cb 0.45 -4.31 0.00 0.00 -1.01 0.00 0.00 31.44 26.57 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2kjp n GLU 59 N -4.42 -1.75 -4.53 3.49 2.13 -1.26 -5.03 120.64 109.26 2kjp n GLU 59 Ca -0.28 0.64 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 2kjp n GLU 59 Cb 0.67 -4.88 -0.15 0.00 0.27 0.00 0.00 31.44 27.36 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kjp s LYS 60 N -4.87 1.03 0.04 5.31 -0.14 0.22 -5.15 119.74 116.18 2kjp s LYS 60 Ca 0.06 -0.54 0.09 0.00 -1.36 0.00 0.00 55.97 54.21 2kjp s LYS 60 Cb -0.03 -1.01 -0.03 0.00 -1.68 0.00 0.00 37.83 35.08 2kjp s LYS 60 CO 0.08 0.27 -0.24 -1.21 -0.76 0.00 0.00 175.35 173.49 2kjp s GLU 61 N -0.52 1.89 0.05 1.68 2.02 -1.26 -0.25 118.70 122.30 2kjp s GLU 61 Ca 0.04 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.99 2kjp s GLU 61 Cb -0.06 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 2kjp s GLU 61 CO -0.00 0.52 -0.09 0.15 0.02 0.00 0.00 175.26 175.86 2kjp s LYS 62 N -1.29 0.62 -0.17 1.61 1.02 -1.25 -5.05 119.74 115.24 2kjp s LYS 62 Ca 0.13 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.26 2kjp s LYS 62 Cb -0.10 -0.42 0.04 0.00 -0.52 0.00 0.00 37.83 36.84 2kjp s LYS 62 CO 0.03 0.08 -0.04 1.03 -0.92 0.00 0.00 175.35 175.52 2kjp s ARG 63 N -1.77 1.36 -0.01 1.68 0.52 -1.26 -4.16 118.95 115.30 2kjp s ARG 63 Ca -0.07 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2kjp s ARG 63 Cb -0.09 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.38 2kjp s ARG 63 CO 0.01 -0.45 -0.04 0.08 0.02 0.00 0.00 175.30 174.92 2kjp s VAL 64 N 1.65 0.36 -0.29 3.52 1.01 -1.26 -5.13 120.40 120.25 2kjp s VAL 64 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 2kjp s VAL 64 Cb -0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2kjp s VAL 64 CO -0.08 0.12 0.47 0.28 0.00 0.00 0.00 175.10 175.89 2kjp s THR 65 N 0.11 5.09 0.10 3.92 -1.32 -1.26 -4.74 115.64 117.54 2kjp s THR 65 Ca -0.01 0.61 0.03 0.00 -1.21 0.00 0.00 61.69 61.12 2kjp s THR 65 Cb -0.04 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 2kjp s THR 65 CO -0.00 0.02 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.11 2kjp s LEU 66 N 2.25 2.42 -0.20 9.08 1.98 -1.26 -5.11 118.68 127.84 2kjp s LEU 66 Ca 0.18 -0.84 -0.14 0.00 -2.89 0.00 0.00 54.13 50.45 2kjp s LEU 66 Cb -0.16 -0.27 -0.04 0.00 0.66 0.00 0.00 46.19 46.38 2kjp s LEU 66 CO 0.11 -0.29 0.30 -0.89 -1.89 0.00 0.00 176.35 173.68 2kjp s THR 67 N -2.62 5.28 0.98 3.68 2.01 -1.26 -4.34 115.64 119.37 2kjp s THR 67 Ca 0.06 0.50 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 2kjp s THR 67 Cb -0.02 -3.63 0.12 0.00 0.01 0.00 0.00 72.50 68.98 2kjp s THR 67 CO -0.01 0.32 0.74 0.18 -0.69 0.00 0.00 174.62 175.16 2kjp n LEU 68 N 4.18 0.88 -4.25 4.42 4.77 -1.13 -4.91 117.00 120.96 2kjp n LEU 68 Ca -0.11 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2kjp n LEU 68 Cb 0.52 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 2kjp n LEU 68 CO 0.38 -2.95 -0.23 -0.54 -1.33 0.00 0.00 177.39 172.73 2kjp s LYS 69 N -4.12 1.32 0.05 3.23 -0.14 -1.26 -3.46 119.74 115.37 2kjp s LYS 69 Ca 0.62 -1.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.56 2kjp s LYS 69 Cb -0.22 0.11 -0.02 0.00 -1.68 0.00 0.00 37.83 36.02 2kjp s LYS 69 CO 0.63 -0.39 -0.12 1.14 -0.76 0.00 0.00 175.35 175.85 2kjp s GLN 70 N -4.05 0.77 -0.77 1.68 -2.07 -1.26 -4.18 119.66 109.78 2kjp s GLN 70 Ca 0.39 -0.81 -0.34 0.00 -1.82 0.00 0.00 55.36 52.77 2kjp s GLN 70 Cb 0.07 -0.72 -0.20 0.00 -1.09 0.00 0.00 33.01 31.07 2kjp s GLN 70 CO 0.14 0.16 2.36 1.19 -1.32 0.00 0.00 175.29 177.83 2kjp n PHE 71 N 1.60 0.75 0.02 9.60 3.72 -1.26 -4.73 117.46 127.15 2kjp n PHE 71 Ca -0.20 0.51 0.01 0.00 -0.05 0.00 0.00 57.45 57.71 2kjp n PHE 71 Cb 0.55 -2.23 0.05 0.00 -0.94 0.00 0.00 39.48 36.90 2kjp n PHE 71 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2kjp n PRO 72 N 7.72 0.01 -0.30 -1.08 -0.02 -1.26 -0.25 135.00 139.81 2kjp n PRO 72 Ca 0.59 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.56 2kjp n PRO 72 Cb 0.00 -1.64 0.20 0.00 -0.02 0.00 0.00 33.50 32.04 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kjp n ASP 73 N -1.47 3.37 -2.71 2.55 5.75 -1.26 -4.74 116.55 118.03 2kjp n ASP 73 Ca -0.00 -2.51 -0.07 0.00 -0.01 0.00 0.00 54.79 52.20 2kjp n ASP 73 Cb 0.11 -0.38 0.07 0.00 -1.03 0.00 0.00 41.12 39.89 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2kjp n GLU 74 N -0.03 0.56 0.21 0.11 2.13 0.65 -5.01 120.64 119.26 2kjp n GLU 74 Ca 0.16 -1.34 0.15 0.00 0.66 0.00 0.00 57.16 56.79 2kjp n GLU 74 Cb 0.65 -0.86 0.67 0.00 0.27 0.00 0.00 31.44 32.17 2kjp n GLU 74 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2kjp h PRO 75 N 3.31 0.00 0.00 5.31 0.13 -1.84 -2.48 132.00 136.43 2kjp h PRO 75 Ca -0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.89 2kjp h PRO 75 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kjp h PRO 75 CO 0.10 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.19 2kjp h ASP 76 N 0.00 0.00 -3.48 1.44 3.32 -1.95 -3.44 116.42 112.31 2kjp h ASP 76 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2kjp h ASP 76 Cb 0.31 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.71 2kjp h ASP 76 CO 0.00 0.24 -0.72 -0.13 -1.72 0.00 0.00 179.24 176.90 2kjp s ARG 77 N -4.14 1.24 -0.01 3.56 1.81 -0.93 -5.16 118.95 115.31 2kjp s ARG 77 Ca -0.02 -1.54 -0.01 0.00 -1.72 0.00 0.00 55.73 52.44 2kjp s ARG 77 Cb 0.13 -0.94 0.01 0.00 -0.45 0.00 0.00 34.95 33.71 2kjp s ARG 77 CO 0.65 0.14 0.02 0.00 -0.68 0.00 0.00 175.30 175.44 2kjp s ALA 78 N -3.11 -0.03 0.48 2.13 0.00 -1.26 -4.51 121.76 115.47 2kjp s ALA 78 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2kjp s ALA 78 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2kjp s ALA 78 CO 0.05 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2kjp n GLY 79 N 3.31 -4.33 0.27 0.00 0.00 -1.26 -4.73 105.19 98.45 2kjp n GLY 79 Ca -0.15 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2kjp n GLY 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kjp h ILE 80 N 1.15 1.25 -1.72 -0.61 2.10 -2.04 -3.46 117.51 114.19 2kjp h ILE 80 Ca 0.00 -0.91 -0.32 0.00 1.08 0.00 0.00 64.86 64.71 2kjp h ILE 80 Cb 0.20 0.73 -0.10 0.00 -1.09 0.00 0.00 36.82 36.56 2kjp h ILE 80 CO 0.00 0.34 -0.32 0.61 -1.08 0.00 0.00 178.15 177.70 2kjp n GLY 81 N -0.61 1.09 2.70 8.18 0.00 -1.26 -3.77 105.19 111.51 2kjp n GLY 81 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2kjp n GLY 81 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kjp n VAL 82 N -2.37-10.52 -1.18 1.61 0.31 -1.26 -4.99 118.33 99.92 2kjp n VAL 82 Ca -0.16 2.23 0.00 0.00 -0.01 0.00 0.00 64.34 66.40 2kjp n VAL 82 Cb 0.54 -5.74 0.00 0.00 -0.91 0.00 0.00 33.84 27.73 2kjp n VAL 82 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2kjp n SER 83 N 1.89 0.00 -4.56 4.52 3.41 -1.25 -5.05 113.62 112.58 2kjp n SER 83 Ca -0.34 -1.12 -0.40 0.00 -0.26 0.00 0.00 58.87 56.75 2kjp n SER 83 Cb 0.53 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 2kjp n SER 83 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kjp s LEU 84 N 0.00 3.33 0.46 1.04 1.43 -1.26 -4.96 118.68 118.73 2kjp s LEU 84 Ca 0.00 0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 2kjp s LEU 84 Cb 0.00 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.40 2kjp s LEU 84 CO 0.00 -2.18 1.34 -1.83 0.23 0.00 0.00 176.35 173.91 2kjp s GLU 85 N 6.61 3.63 0.00 1.70 -1.05 -1.26 -4.88 118.70 123.45 2kjp s GLU 85 Ca 0.67 2.21 0.05 0.00 -0.15 0.00 0.00 54.97 57.75 2kjp s GLU 85 Cb -0.14 -2.55 0.28 0.00 -0.44 0.00 0.00 34.13 31.29 2kjp s GLU 85 CO 0.23 -0.79 1.12 1.58 0.95 0.00 0.00 175.26 178.35 2kjp n HIS 86 N -0.36 0.00 -0.04 4.83 -0.00 -1.26 -3.88 115.22 114.51 2kjp n HIS 86 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.68 2kjp n HIS 86 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.39 2kjp n HIS 86 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjp h HIS 87 N 0.00 0.25 -0.64 1.57 6.17 -2.01 -3.35 115.15 117.13 2kjp h HIS 87 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.78 2kjp h HIS 87 Cb 0.00 -0.08 -0.05 0.00 2.52 0.00 0.00 27.41 29.80 2kjp h HIS 87 CO 0.00 0.17 0.84 -1.01 0.71 0.00 0.00 177.93 178.64 2kjp s HIS 88 N -6.13 1.86 0.12 5.26 3.76 -1.25 -4.77 115.29 114.14 2kjp s HIS 88 Ca -0.13 0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 55.19 2kjp s HIS 88 Cb 0.08 -4.03 -0.02 0.00 1.11 0.00 0.00 32.58 29.71 2kjp s HIS 88 CO 0.69 -1.58 1.65 1.25 -0.85 0.00 0.00 174.74 175.90 2kjp h HIS 89 N 10.81 0.56 0.00 1.40 2.76 -1.93 -3.46 115.15 125.29 2kjp h HIS 89 Ca 0.13 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2kjp h HIS 89 Cb 0.98 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2kjp h HIS 89 CO 1.22 0.53 0.00 1.58 -1.30 0.00 0.00 177.93 179.96 2kjp n HIS 90 N -4.66 -1.42 0.13 5.26 -0.00 -1.26 -5.20 115.22 108.06 2kjp n HIS 90 Ca -0.01 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.18 2kjp n HIS 90 Cb 0.16 0.28 0.06 0.00 -0.12 0.00 0.00 29.99 30.37 2kjp n HIS 90 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41