#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 -1.75 0.23 8.20 0.00 -1.26 -4.59 105.19 106.01 2kjp n GLY 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kjp n GLY 2 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kjp h ILE 3 N 0.00 1.22 0.00 -0.61 5.03 -1.90 -3.44 117.51 117.82 2kjp h ILE 3 Ca 0.00 -0.70 0.00 0.00 -0.12 0.00 0.00 64.86 64.04 2kjp h ILE 3 Cb 0.00 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 2kjp h ILE 3 CO 0.00 0.26 0.00 -1.22 -0.68 0.00 0.00 178.15 176.51 2kjp n TYR 4 N -4.55 -0.40 -4.01 1.37 4.01 -1.26 -4.82 117.16 107.51 2kjp n TYR 4 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 2kjp n TYR 4 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.13 2kjp n TYR 4 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kjp s ALA 5 N -2.04 0.12 0.00 -0.72 0.00 -1.25 -4.77 121.76 113.10 2kjp s ALA 5 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2kjp s ALA 5 Cb 0.00 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.11 2kjp s ALA 5 CO 0.00 -0.69 0.00 0.45 0.00 0.00 0.00 175.76 175.52 2kjp n SER 6 N -0.26 0.00 -3.31 0.00 2.88 -1.26 -3.40 113.62 108.27 2kjp n SER 6 Ca -0.05 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.52 2kjp n SER 6 Cb 0.63 0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 64.44 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kjp s SER 7 N -2.02 -0.29 0.04 -3.46 0.15 -1.26 -4.38 113.70 102.48 2kjp s SER 7 Ca 0.00 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.07 2kjp s SER 7 Cb 0.00 1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 65.60 2kjp s SER 7 CO 0.00 -0.06 -0.07 0.68 1.20 0.00 0.00 173.24 175.00 2kjp s VAL 8 N 2.13 0.47 0.42 4.45 -7.23 -1.26 -5.11 120.40 114.27 2kjp s VAL 8 Ca -0.02 -1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 58.73 2kjp s VAL 8 Cb -0.03 -0.69 -0.09 0.00 0.56 0.00 0.00 36.38 36.13 2kjp s VAL 8 CO -0.16 -0.48 1.36 0.54 -0.31 0.00 0.00 175.10 176.05 2kjp s VAL 9 N -1.71 2.39 0.00 1.32 0.11 -1.26 -5.02 120.40 116.22 2kjp s VAL 9 Ca -0.08 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2kjp s VAL 9 Cb -0.08 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2kjp s VAL 9 CO -0.01 0.05 0.00 1.21 -3.33 0.00 0.00 175.10 173.02 2kjp n GLU 10 N 0.01 0.00 -1.14 1.54 2.13 -1.26 -4.90 120.64 117.02 2kjp n GLU 10 Ca 0.04 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.81 2kjp n GLU 10 Cb 0.43 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.12 2kjp n GLU 10 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kjp n ASN 11 N 0.00 -4.34 -4.45 4.31 5.03 -1.26 -5.00 115.26 109.55 2kjp n ASN 11 Ca 0.00 0.12 -0.29 0.00 0.87 0.00 0.00 54.58 55.29 2kjp n ASN 11 Cb 0.00 -2.28 -0.08 0.00 -1.02 0.00 0.00 39.78 36.40 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2kjp s MET 12 N -1.90 2.02 0.44 3.52 1.00 -1.26 -4.87 119.30 118.25 2kjp s MET 12 Ca 0.00 -2.25 0.17 0.00 0.00 0.00 0.00 55.69 53.62 2kjp s MET 12 Cb 0.00 -1.09 1.10 0.00 0.00 0.00 0.00 34.83 34.84 2kjp s MET 12 CO 0.00 -0.37 1.90 -1.35 0.00 0.00 0.00 175.02 175.20 2kjp h PRO 13 N 1.63 0.36 0.00 2.03 0.11 -1.94 -3.44 132.00 130.75 2kjp h PRO 13 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kjp h PRO 13 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kjp h PRO 13 CO 0.67 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2kjp n ALA 14 N -2.54 0.00 -1.85 -0.75 0.00 -1.26 -4.84 120.51 109.28 2kjp n ALA 14 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2kjp n ALA 14 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 3.11 0.00 0.00 2.20 -1.26 -1.57 119.74 122.22 2kjp s LYS 15 Ca 0.00 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 2kjp s LYS 15 Cb 0.00 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2kjp s LYS 15 CO 0.00 -2.12 0.00 0.41 -0.36 0.00 0.00 175.35 173.28 2kjp n GLY 16 N 5.60 2.50 2.67 5.54 0.00 -1.26 -5.01 105.19 115.22 2kjp n GLY 16 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.27 0.39 0.12 1.61 -2.85 -0.61 -4.67 119.74 113.46 2kjp s LYS 17 Ca 0.00 -0.34 0.03 0.00 -1.00 0.00 0.00 55.97 54.67 2kjp s LYS 17 Cb 0.00 -1.92 -0.04 0.00 -2.06 0.00 0.00 37.83 33.81 2kjp s LYS 17 CO 0.00 -0.70 -0.09 -1.50 0.10 0.00 0.00 175.35 173.16 2kjp s ILE 18 N 1.97 0.96 -0.25 3.79 2.07 -1.25 -4.27 121.20 124.22 2kjp s ILE 18 Ca 0.02 -1.92 -0.02 0.00 -1.41 0.00 0.00 60.65 57.31 2kjp s ILE 18 Cb -0.17 -1.68 0.12 0.00 0.13 0.00 0.00 42.46 40.87 2kjp s ILE 18 CO -0.12 -0.74 0.28 -1.61 -1.91 0.00 0.00 174.94 170.84 2kjp s GLU 19 N -3.55 0.28 -0.49 3.50 2.02 -1.26 -4.97 118.70 114.24 2kjp s GLU 19 Ca 0.12 0.10 0.06 0.00 0.02 0.00 0.00 54.97 55.28 2kjp s GLU 19 Cb 0.02 -0.84 0.22 0.00 0.10 0.00 0.00 34.13 33.63 2kjp s GLU 19 CO -0.01 -0.83 0.75 0.28 0.02 0.00 0.00 175.26 175.47 2kjp n VAL 20 N 5.32 -0.16 0.00 2.63 0.31 -1.26 -4.35 118.33 120.82 2kjp n VAL 20 Ca -0.04 -1.68 0.00 0.00 -0.01 0.00 0.00 64.34 62.62 2kjp n VAL 20 Cb 0.48 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kjp n GLY 21 N 2.24 2.85 3.49 2.92 0.00 -1.22 -4.82 105.19 110.65 2kjp n GLY 21 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2kjp n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjp n ASP 22 N 0.42 -1.17 -4.56 1.61 8.00 -1.26 -4.49 116.55 115.10 2kjp n ASP 22 Ca 0.00 0.47 -0.34 0.00 0.71 0.00 0.00 54.79 55.63 2kjp n ASP 22 Cb 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 39.72 2kjp n ASP 22 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kjp s LYS 23 N -3.44 3.51 -0.24 -1.24 1.02 -1.26 -3.94 119.74 114.16 2kjp s LYS 23 Ca 0.63 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 56.05 2kjp s LYS 23 Cb -0.27 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2kjp s LYS 23 CO 0.61 0.37 0.11 0.96 -0.92 0.00 0.00 175.35 176.47 2kjp s ILE 24 N 0.03 4.79 -0.02 2.17 -0.00 -1.26 -3.26 121.20 123.65 2kjp s ILE 24 Ca 0.01 -0.02 -0.25 0.00 -0.00 0.00 0.00 60.65 60.40 2kjp s ILE 24 Cb -0.13 -3.23 -0.19 0.00 -0.00 0.00 0.00 42.46 38.91 2kjp s ILE 24 CO 0.02 0.35 1.20 0.40 -0.00 0.00 0.00 174.94 176.92 2kjp h ILE 25 N 5.27 1.18 -1.21 8.37 2.04 -1.94 -3.49 117.51 127.74 2kjp h ILE 25 Ca -0.37 -1.05 0.29 0.00 1.00 0.00 0.00 64.86 64.73 2kjp h ILE 25 Cb 1.18 1.85 -0.21 0.00 -0.74 0.00 0.00 36.82 38.89 2kjp h ILE 25 CO 0.61 0.25 0.91 -0.55 0.00 0.00 0.00 178.15 179.38 2kjp s SER 26 N -5.55 -0.07 -0.04 1.72 0.15 -1.26 -4.90 113.70 103.75 2kjp s SER 26 Ca -0.15 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.55 2kjp s SER 26 Cb 0.02 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 2kjp s SER 26 CO 0.62 -0.10 -0.15 0.00 1.20 0.00 0.00 173.24 174.81 2kjp s ALA 27 N -2.01 2.65 -1.47 5.45 0.00 -1.18 -3.45 121.76 121.75 2kjp s ALA 27 Ca 0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2kjp s ALA 27 Cb -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.18 2kjp s ALA 27 CO -0.04 0.56 0.37 -3.47 0.00 0.00 0.00 175.76 173.18 2kjp n ASP 28 N 2.26 -5.26 0.00 0.00 2.03 -0.81 -0.70 116.55 114.06 2kjp n ASP 28 Ca -0.17 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 54.96 2kjp n ASP 28 Cb 0.52 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.60 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 -1.24 0.00 3.35 0.27 0.00 -1.26 -4.92 105.19 101.39 2kjp n GLY 29 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.84 3.43 0.74 1.61 2.20 0.12 -5.09 119.74 120.90 2kjp s LYS 30 Ca 0.00 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 54.88 2kjp s LYS 30 Cb 0.00 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.44 2kjp s LYS 30 CO 0.00 -0.04 1.11 -0.80 -0.36 0.00 0.00 175.35 175.25 2kjp s ASN 31 N 1.07 5.10 0.00 1.43 0.01 -1.26 -3.11 114.94 118.17 2kjp s ASN 31 Ca 0.01 1.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.29 2kjp s ASN 31 Cb -0.15 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.63 2kjp s ASN 31 CO -0.00 -1.56 0.00 -1.22 -1.51 0.00 0.00 177.10 172.80 2kjp n TYR 32 N -3.15 -0.09 0.00 2.20 4.01 -1.26 -5.00 117.16 113.87 2kjp n TYR 32 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2kjp n TYR 32 Cb 0.57 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 2kjp n TYR 32 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2kjp n GLN 33 N -2.08 0.00 -3.68 -0.72 7.27 -1.26 -4.87 117.38 112.04 2kjp n GLN 33 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 2kjp n GLN 33 Cb 0.00 -2.40 -0.12 0.00 2.41 0.00 0.00 30.24 30.13 2kjp n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2kjp s SER 34 N -0.68 5.52 0.19 1.69 0.01 -1.26 -4.85 113.70 114.32 2kjp s SER 34 Ca 0.00 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 56.93 2kjp s SER 34 Cb 0.00 -2.01 0.19 0.00 0.21 0.00 0.00 66.02 64.41 2kjp s SER 34 CO 0.00 -0.08 1.79 0.00 0.41 0.00 0.00 173.24 175.36 2kjp h ALA 35 N 8.31 0.74 -0.82 1.44 0.00 -1.89 -1.31 119.26 125.73 2kjp h ALA 35 Ca -0.36 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.69 2kjp h ALA 35 Cb 1.17 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2kjp h ALA 35 CO 0.58 -0.07 0.44 1.05 0.00 0.00 0.00 179.25 181.25 2kjp h GLU 36 N 0.54 0.69 -0.00 0.00 4.11 -1.94 0.36 114.58 118.34 2kjp h GLU 36 Ca 0.26 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.65 2kjp h GLU 36 Cb 0.19 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kjp h GLU 36 CO -0.19 0.46 -0.00 0.87 0.07 0.00 0.00 179.01 180.22 2kjp h LYS 37 N 0.71 0.00 -0.23 1.06 1.79 -1.78 -0.79 116.57 117.33 2kjp h LYS 37 Ca 0.41 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2kjp h LYS 37 Cb 0.46 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2kjp h LYS 37 CO -0.29 0.45 0.13 1.25 -1.08 0.00 0.00 179.45 179.92 2kjp h LEU 38 N -0.45 0.28 -0.17 2.94 5.85 -0.77 0.78 115.31 123.77 2kjp h LEU 38 Ca 0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2kjp h LEU 38 Cb 0.45 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kjp h LEU 38 CO 0.00 0.26 0.08 0.40 -0.34 0.00 0.00 178.44 178.84 2kjp h ILE 39 N 0.27 1.14 -0.35 4.05 1.08 -0.35 -1.06 117.51 122.27 2kjp h ILE 39 Ca 0.08 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 2kjp h ILE 39 Cb 0.04 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2kjp h ILE 39 CO -0.01 0.13 -0.21 0.44 -0.69 0.00 0.00 178.15 177.81 2kjp h ASP 40 N 0.14 0.68 0.47 1.72 3.32 -0.99 -0.19 116.42 121.57 2kjp h ASP 40 Ca 0.06 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2kjp h ASP 40 Cb 0.13 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2kjp h ASP 40 CO -0.01 0.88 -0.23 0.22 -1.72 0.00 0.00 179.24 178.39 2kjp h TYR 41 N 0.60 -0.59 -0.24 4.55 3.20 0.87 0.19 116.97 125.55 2kjp h TYR 41 Ca 0.09 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 2kjp h TYR 41 Cb 0.68 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 2kjp h TYR 41 CO 0.03 -0.31 -0.25 0.97 -1.64 0.00 0.00 178.16 176.96 2kjp h ILE 42 N -0.74 1.32 -0.25 1.81 2.10 -1.21 -3.02 117.51 117.51 2kjp h ILE 42 Ca -0.06 -1.42 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 2kjp h ILE 42 Cb 0.54 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.93 2kjp h ILE 42 CO 0.11 0.44 0.08 -1.28 -1.08 0.00 0.00 178.15 176.42 2kjp h SER 43 N 0.31 0.31 0.20 2.19 0.87 -1.06 -0.30 113.55 116.07 2kjp h SER 43 Ca 0.04 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kjp h SER 43 Cb 0.81 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2kjp h SER 43 CO 0.06 0.31 -0.01 -1.54 -0.53 0.00 0.00 176.83 175.12 2kjp n SER 44 N -4.41 0.13 -2.64 6.23 3.41 0.05 -3.74 113.62 112.65 2kjp n SER 44 Ca 0.01 -0.74 -0.09 0.00 -0.26 0.00 0.00 58.87 57.79 2kjp n SER 44 Cb 0.14 -0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kjp n LYS 45 N -1.01 1.94 -3.49 4.33 5.02 -0.14 -5.06 118.16 119.74 2kjp n LYS 45 Ca 0.20 -3.61 -0.25 0.00 -2.02 0.00 0.00 58.31 52.63 2kjp n LYS 45 Cb 0.18 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kjp s LYS 46 N -3.51 3.52 -0.04 1.97 1.02 -1.09 -4.41 119.74 117.19 2kjp s LYS 46 Ca 0.32 -0.31 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 2kjp s LYS 46 Cb 0.39 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2kjp s LYS 46 CO -0.02 0.24 0.07 0.00 -0.92 0.00 0.00 175.35 174.73 2kjp n ALA 47 N -1.34 -2.42 0.00 5.17 0.00 -1.24 -4.52 120.51 116.16 2kjp n ALA 47 Ca -0.05 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.42 2kjp n ALA 47 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 1.84 2.74 3.77 0.00 0.00 -1.26 -4.97 105.19 107.31 2kjp n GLY 48 Ca -0.12 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 6.52 0.11 1.61 1.01 -1.26 -4.86 116.67 119.80 2kjp s ASP 49 Ca 0.00 2.70 0.08 0.00 0.71 0.00 0.00 52.55 56.04 2kjp s ASP 49 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2kjp s ASP 49 CO 0.00 -0.71 -0.12 -0.75 0.21 0.00 0.00 175.17 173.80 2kjp s LYS 50 N -2.04 2.05 0.10 8.23 2.20 -1.26 -3.63 119.74 125.39 2kjp s LYS 50 Ca 0.53 -1.08 -0.25 0.00 -0.36 0.00 0.00 55.97 54.80 2kjp s LYS 50 Cb -0.39 -2.25 0.08 0.00 -1.51 0.00 0.00 37.83 33.75 2kjp s LYS 50 CO 0.52 0.49 0.77 0.54 -0.36 0.00 0.00 175.35 177.31 2kjp s VAL 51 N -1.25 0.00 -0.20 4.02 0.11 -1.26 -5.08 120.40 116.74 2kjp s VAL 51 Ca 0.21 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2kjp s VAL 51 Cb -0.11 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2kjp s VAL 51 CO 0.13 0.00 0.09 -0.89 -3.33 0.00 0.00 175.10 171.10 2kjp s THR 52 N -3.45 4.91 -0.15 5.04 2.01 -1.26 -4.66 115.64 118.09 2kjp s THR 52 Ca 0.05 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2kjp s THR 52 Cb -0.01 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2kjp s THR 52 CO -0.08 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.33 2kjp s LEU 53 N 0.59 2.26 -0.08 4.42 1.43 -1.26 -1.93 118.68 124.11 2kjp s LEU 53 Ca 0.05 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 2kjp s LEU 53 Cb -0.13 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2kjp s LEU 53 CO 0.01 0.07 0.44 -0.54 0.23 0.00 0.00 176.35 176.56 2kjp s LYS 54 N 0.90 4.22 0.22 1.70 -0.14 -1.22 -4.77 119.74 120.64 2kjp s LYS 54 Ca -0.04 0.42 0.04 0.00 -1.36 0.00 0.00 55.97 55.02 2kjp s LYS 54 Cb -0.15 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.58 2kjp s LYS 54 CO -0.03 0.33 -0.03 0.42 -0.76 0.00 0.00 175.35 175.29 2kjp s ILE 55 N 0.07 1.10 -0.03 2.17 -1.09 -1.26 -3.67 121.20 118.49 2kjp s ILE 55 Ca 0.24 -2.05 0.03 0.00 -2.23 0.00 0.00 60.65 56.65 2kjp s ILE 55 Cb -0.16 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 2kjp s ILE 55 CO 0.11 -0.40 -0.10 -0.70 -1.23 0.00 0.00 174.94 172.62 2kjp s GLU 56 N -3.83 1.14 -0.08 2.79 2.12 -1.20 -3.69 118.70 115.95 2kjp s GLU 56 Ca 0.26 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.21 2kjp s GLU 56 Cb 0.05 -1.04 0.04 0.00 0.26 0.00 0.00 34.13 33.44 2kjp s GLU 56 CO 0.07 0.12 0.16 1.03 -0.54 0.00 0.00 175.26 176.10 2kjp s ARG 57 N 0.23 0.08 -1.77 4.30 0.52 0.33 -4.45 118.95 118.19 2kjp s ARG 57 Ca -0.04 0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 55.45 2kjp s ARG 57 Cb -0.10 -0.20 0.17 0.00 0.52 0.00 0.00 34.95 35.33 2kjp s ARG 57 CO 0.01 -0.22 0.47 0.39 0.02 0.00 0.00 175.30 175.97 2kjp n GLU 58 N 4.62 -1.12 -2.30 3.54 1.02 -1.26 0.17 120.64 125.31 2kjp n GLU 58 Ca -0.18 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 2kjp n GLU 58 Cb 0.51 -4.49 -0.00 0.00 -0.02 0.00 0.00 31.44 27.44 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kjp n GLU 59 N -4.23 -1.28 -3.78 3.49 2.13 -1.26 -5.02 120.64 110.69 2kjp n GLU 59 Ca -0.01 0.63 -0.21 0.00 0.66 0.00 0.00 57.16 58.24 2kjp n GLU 59 Cb 0.52 -4.85 -0.17 0.00 0.27 0.00 0.00 31.44 27.21 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 -4.72 0.33 0.12 5.31 1.02 0.46 -5.15 119.74 117.10 2kjp s LYS 60 Ca 0.02 0.18 -0.08 0.00 0.02 0.00 0.00 55.97 56.12 2kjp s LYS 60 Cb -0.01 -0.71 -0.06 0.00 -0.52 0.00 0.00 37.83 36.53 2kjp s LYS 60 CO 0.03 -0.27 0.40 -1.21 -0.92 0.00 0.00 175.35 173.38 2kjp s GLU 61 N 1.80 3.70 0.09 1.68 2.02 -1.26 -0.51 118.70 126.23 2kjp s GLU 61 Ca 0.01 0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.13 2kjp s GLU 61 Cb -0.12 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2kjp s GLU 61 CO -0.04 0.50 -0.14 0.15 0.02 0.00 0.00 175.26 175.76 2kjp s LYS 62 N -2.28 0.89 -0.14 1.61 -0.14 -1.24 -5.01 119.74 113.44 2kjp s LYS 62 Ca 0.37 -1.06 -0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2kjp s LYS 62 Cb -0.13 -0.85 0.03 0.00 -1.68 0.00 0.00 37.83 35.21 2kjp s LYS 62 CO 0.21 0.18 -0.05 1.03 -0.76 0.00 0.00 175.35 175.95 2kjp s ARG 63 N -2.11 1.35 -0.01 1.68 0.52 -1.26 -4.24 118.95 114.88 2kjp s ARG 63 Ca 0.02 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2kjp s ARG 63 Cb -0.08 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.64 2kjp s ARG 63 CO 0.02 -0.37 -0.04 0.08 0.02 0.00 0.00 175.30 175.02 2kjp s VAL 64 N 1.71 0.36 -0.34 3.52 1.01 -1.26 -5.13 120.40 120.27 2kjp s VAL 64 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2kjp s VAL 64 Cb -0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2kjp s VAL 64 CO -0.08 0.13 0.26 0.28 0.00 0.00 0.00 175.10 175.70 2kjp s THR 65 N 0.26 5.26 0.15 3.92 -1.32 -1.26 -4.72 115.64 117.92 2kjp s THR 65 Ca -0.03 -0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2kjp s THR 65 Cb -0.06 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 2kjp s THR 65 CO -0.00 -0.01 0.05 -0.76 -2.21 0.00 0.00 174.62 171.69 2kjp s LEU 66 N 1.79 1.80 -0.16 9.08 1.43 -1.26 -5.15 118.68 126.21 2kjp s LEU 66 Ca 0.07 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 51.89 2kjp s LEU 66 Cb -0.17 0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 2kjp s LEU 66 CO 0.11 -0.71 0.08 -0.89 0.23 0.00 0.00 176.35 175.18 2kjp s THR 67 N -3.97 5.01 1.27 5.49 2.01 -1.26 -4.42 115.64 119.76 2kjp s THR 67 Ca 0.25 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 2kjp s THR 67 Cb 0.07 -3.22 0.32 0.00 0.01 0.00 0.00 72.50 69.67 2kjp s THR 67 CO 0.03 0.51 0.99 -0.76 -0.69 0.00 0.00 174.62 174.71 2kjp s LEU 68 N -0.13 0.05 0.27 4.42 1.02 -1.24 -4.92 118.68 118.14 2kjp s LEU 68 Ca 0.08 1.18 0.02 0.00 0.02 0.00 0.00 54.13 55.44 2kjp s LEU 68 Cb -0.12 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 2kjp s LEU 68 CO 0.01 -4.64 0.18 -0.75 0.02 0.00 0.00 176.35 171.16 2kjp s LYS 69 N -4.76 1.47 0.05 1.70 2.47 -1.26 -3.68 119.74 115.72 2kjp s LYS 69 Ca 0.69 -1.82 0.03 0.00 -1.56 0.00 0.00 55.97 53.31 2kjp s LYS 69 Cb -0.20 0.16 -0.02 0.00 -1.46 0.00 0.00 37.83 36.31 2kjp s LYS 69 CO 0.61 -0.47 -0.10 1.14 0.16 0.00 0.00 175.35 176.69 2kjp s GLN 70 N -3.87 0.64 -0.50 4.03 -2.07 -1.26 -3.71 119.66 112.92 2kjp s GLN 70 Ca 0.39 -0.80 -0.40 0.00 -1.82 0.00 0.00 55.36 52.72 2kjp s GLN 70 Cb 0.05 -0.51 -0.17 0.00 -1.09 0.00 0.00 33.01 31.29 2kjp s GLN 70 CO 0.18 0.11 2.21 1.19 -1.32 0.00 0.00 175.29 177.65 2kjp n PHE 71 N 1.48 1.23 -0.18 9.60 3.72 -1.26 -4.83 117.46 127.22 2kjp n PHE 71 Ca -0.22 0.59 -0.03 0.00 -0.05 0.00 0.00 57.45 57.74 2kjp n PHE 71 Cb 0.55 -2.37 0.04 0.00 -0.94 0.00 0.00 39.48 36.75 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 10.39 -0.07 -0.56 -1.08 0.11 -1.95 0.13 132.00 138.97 2kjp h PRO 72 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2kjp h PRO 72 Cb 1.38 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2kjp h PRO 72 CO 1.10 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 2kjp n ASP 73 N -5.42 0.56 -2.73 -2.05 5.75 -1.26 -4.00 116.55 107.40 2kjp n ASP 73 Ca 0.05 -1.78 -0.07 0.00 -0.01 0.00 0.00 54.79 52.99 2kjp n ASP 73 Cb 0.32 -0.28 0.05 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.15 0.57 0.00 0.11 2.13 0.44 -5.00 120.64 118.74 2kjp n GLU 74 Ca 0.00 -1.45 0.12 0.00 0.66 0.00 0.00 57.16 56.49 2kjp n GLU 74 Cb 0.14 -1.10 0.56 0.00 0.27 0.00 0.00 31.44 31.31 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kjp n PRO 75 N 1.72 0.14 0.22 5.31 -0.04 -1.10 -2.91 135.00 138.34 2kjp n PRO 75 Ca 0.08 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2kjp n PRO 75 Cb 0.65 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.93 2kjp n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kjp h ASP 76 N 0.00 0.00 -4.64 3.54 3.58 -1.94 -3.45 116.42 113.50 2kjp h ASP 76 Ca 0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 2kjp h ASP 76 Cb 0.34 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.20 2kjp h ASP 76 CO 0.00 0.10 -0.72 -0.60 -2.88 0.00 0.00 179.24 175.14 2kjp s ARG 77 N -3.36 0.69 0.01 0.28 3.52 -1.15 -5.17 118.95 113.78 2kjp s ARG 77 Ca 0.04 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.63 2kjp s ARG 77 Cb 0.07 -0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 2kjp s ARG 77 CO 0.64 0.04 -0.03 0.00 -0.81 0.00 0.00 175.30 175.14 2kjp s ALA 78 N -2.26 0.25 0.34 6.12 0.00 -1.26 -4.28 121.76 120.67 2kjp s ALA 78 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kjp s ALA 78 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2kjp s ALA 78 CO -0.01 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2kjp n GLY 79 N 2.49 -3.26 3.39 0.00 0.00 -1.26 -4.88 105.19 101.66 2kjp n GLY 79 Ca -0.16 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 2kjp n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kjp s ILE 80 N -4.22 1.39 0.00 -0.61 -4.36 -1.26 -5.03 121.20 107.12 2kjp s ILE 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2kjp s ILE 80 Cb 0.00 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.54 2kjp s ILE 80 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2kjp n GLY 81 N 0.74 -0.97 3.56 6.27 0.00 -1.26 -5.09 105.19 108.44 2kjp n GLY 81 Ca 0.12 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 3.33 -0.14 1.61 1.01 -1.26 -4.75 120.40 120.21 2kjp s VAL 82 Ca 0.00 -0.17 0.30 0.00 0.00 0.00 0.00 61.98 62.11 2kjp s VAL 82 Cb 0.00 -3.78 0.35 0.00 0.00 0.00 0.00 36.38 32.94 2kjp s VAL 82 CO 0.00 -0.74 1.87 0.28 0.00 0.00 0.00 175.10 176.51 2kjp h SER 83 N 12.76 0.00 -0.78 3.32 0.02 -2.01 -2.99 113.55 123.87 2kjp h SER 83 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2kjp h SER 83 Cb 1.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2kjp h SER 83 CO 1.18 0.00 0.33 -0.07 -1.14 0.00 0.00 176.83 177.13 2kjp h LEU 84 N 0.00 1.05 -2.42 5.07 3.38 -1.95 -3.49 115.31 116.95 2kjp h LEU 84 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kjp h LEU 84 Cb 0.53 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2kjp h LEU 84 CO 0.00 0.92 -1.06 1.21 0.09 0.00 0.00 178.44 179.60 2kjp n GLU 85 N -4.32 -3.02 -0.86 1.13 2.13 -1.13 -4.59 120.64 109.98 2kjp n GLU 85 Ca 0.07 2.47 0.12 0.00 0.66 0.00 0.00 57.16 60.48 2kjp n GLU 85 Cb 0.17 -4.10 -0.03 0.00 0.27 0.00 0.00 31.44 27.75 2kjp n GLU 85 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kjp n HIS 86 N 1.25 -2.93 -0.15 4.31 8.25 -1.26 -4.14 115.22 120.54 2kjp n HIS 86 Ca -0.11 1.07 -0.09 0.00 -0.26 0.00 0.00 57.72 58.32 2kjp n HIS 86 Cb 0.26 -1.94 -0.00 0.00 1.12 0.00 0.00 29.99 29.43 2kjp n HIS 86 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjp h HIS 87 N -0.79 0.74 -4.00 4.41 -0.00 -2.04 -3.43 115.15 110.04 2kjp h HIS 87 Ca 0.02 -0.08 -0.53 0.00 -0.00 0.00 0.00 60.37 59.77 2kjp h HIS 87 Cb 0.78 -0.21 0.10 0.00 -0.00 0.00 0.00 27.41 28.09 2kjp h HIS 87 CO 0.00 0.68 0.61 -1.01 -0.00 0.00 0.00 177.93 178.21 2kjp s HIS 88 N -5.33 2.58 -0.30 5.26 4.02 -1.26 -5.02 115.29 115.24 2kjp s HIS 88 Ca -0.13 1.38 -0.13 0.00 1.02 0.00 0.00 55.06 57.20 2kjp s HIS 88 Cb 0.11 -3.73 0.16 0.00 -1.02 0.00 0.00 32.58 28.10 2kjp s HIS 88 CO 0.78 -2.45 0.91 -1.58 1.02 0.00 0.00 174.74 173.42 2kjp s HIS 89 N -1.30 -0.84 -0.32 1.40 2.46 -1.26 -4.68 115.29 110.74 2kjp s HIS 89 Ca 0.63 1.35 -0.14 0.00 0.47 0.00 0.00 55.06 57.37 2kjp s HIS 89 Cb -0.39 0.46 0.02 0.00 -0.13 0.00 0.00 32.58 32.55 2kjp s HIS 89 CO 0.48 -0.42 0.35 1.58 -2.47 0.00 0.00 174.74 174.26 2kjp n HIS 90 N 5.13 -2.80 -1.12 3.88 -0.00 -1.26 -5.20 115.22 113.84 2kjp n HIS 90 Ca -0.09 1.18 0.00 0.00 0.46 0.00 0.00 57.72 59.27 2kjp n HIS 90 Cb 0.52 -2.96 0.00 0.00 -0.12 0.00 0.00 29.99 27.43 2kjp n HIS 90 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38