#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 -1.67 0.27 7.41 0.00 -1.26 -2.46 105.19 107.49 2kjp n GLY 2 Ca 0.00 -1.20 0.15 0.00 0.00 0.00 0.00 46.02 44.97 2kjp n GLY 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kjp h ILE 3 N -0.52 0.34 -2.82 -0.61 3.07 -1.91 -3.39 117.51 111.67 2kjp h ILE 3 Ca 0.01 -0.53 -0.43 0.00 1.55 0.00 0.00 64.86 65.46 2kjp h ILE 3 Cb 0.51 1.39 -0.39 0.00 -0.27 0.00 0.00 36.82 38.06 2kjp h ILE 3 CO 0.00 0.09 -0.72 -0.31 -1.05 0.00 0.00 178.15 176.16 2kjp s TYR 4 N -3.98 0.07 -0.05 0.16 2.02 -1.25 -3.84 117.35 110.47 2kjp s TYR 4 Ca -0.02 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 2kjp s TYR 4 Cb 0.12 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2kjp s TYR 4 CO 0.55 -0.63 1.29 0.00 -1.57 0.00 0.00 175.55 175.20 2kjp s ALA 5 N 2.19 3.55 -0.29 3.71 0.00 -1.03 -4.89 121.76 125.00 2kjp s ALA 5 Ca 0.05 0.70 0.23 0.00 0.00 0.00 0.00 51.96 52.94 2kjp s ALA 5 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2kjp s ALA 5 CO -0.17 -0.89 0.94 0.45 0.00 0.00 0.00 175.76 176.09 2kjp n SER 6 N 5.51 0.62 -3.71 0.00 2.88 -1.26 0.39 113.62 118.06 2kjp n SER 6 Ca 0.12 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.79 2kjp n SER 6 Cb 0.45 0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 64.72 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kjp s SER 7 N -4.84 -0.14 0.03 -3.46 1.04 -1.26 -4.86 113.70 100.21 2kjp s SER 7 Ca -0.01 -0.31 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 2kjp s SER 7 Cb 0.12 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2kjp s SER 7 CO 0.81 -0.71 0.31 0.68 0.98 0.00 0.00 173.24 175.32 2kjp s VAL 8 N -3.01 0.08 -0.14 5.02 -7.23 -1.26 -4.93 120.40 108.92 2kjp s VAL 8 Ca 0.13 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 2kjp s VAL 8 Cb 0.01 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 2kjp s VAL 8 CO 0.00 -0.35 2.15 0.52 -0.31 0.00 0.00 175.10 177.11 2kjp n VAL 9 N 0.68 0.48 -0.41 1.32 0.31 -1.26 -4.83 118.33 114.62 2kjp n VAL 9 Ca -0.19 -0.36 0.34 0.00 -0.01 0.00 0.00 64.34 64.13 2kjp n VAL 9 Cb 0.59 -2.48 0.62 0.00 -0.91 0.00 0.00 33.84 31.66 2kjp n VAL 9 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2kjp h GLU 10 N 13.63 0.10 -3.53 5.55 4.81 -2.04 -3.09 114.58 130.02 2kjp h GLU 10 Ca -0.44 -0.01 -0.78 0.00 -0.13 0.00 0.00 59.36 58.00 2kjp h GLU 10 Cb 1.24 -0.02 -0.29 0.00 0.63 0.00 0.00 28.75 30.31 2kjp h GLU 10 CO 0.95 0.07 0.35 0.54 -0.73 0.00 0.00 179.01 180.19 2kjp s ASN 11 N -4.56 7.08 0.17 1.04 2.20 -1.26 -5.01 114.94 114.61 2kjp s ASN 11 Ca -0.08 -3.61 0.01 0.00 -0.94 0.00 0.00 52.86 48.24 2kjp s ASN 11 Cb 0.30 -2.16 -0.04 0.00 -2.00 0.00 0.00 41.25 37.35 2kjp s ASN 11 CO 0.81 -0.27 0.05 -0.04 -2.94 0.00 0.00 177.10 174.70 2kjp s MET 12 N -1.26 1.10 0.49 3.55 -1.94 -1.17 -4.98 119.30 115.09 2kjp s MET 12 Ca 0.30 -1.54 0.16 0.00 -1.71 0.00 0.00 55.69 52.90 2kjp s MET 12 Cb -0.10 -0.05 1.19 0.00 2.01 0.00 0.00 34.83 37.89 2kjp s MET 12 CO -0.09 -0.22 2.07 -1.35 -0.01 0.00 0.00 175.02 175.42 2kjp h PRO 13 N 2.70 0.16 -1.30 2.03 0.11 -1.91 -3.44 132.00 130.35 2kjp h PRO 13 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kjp h PRO 13 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kjp h PRO 13 CO 0.60 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2kjp n ALA 14 N -2.55 0.00 -2.47 -0.75 0.00 -1.26 -4.80 120.51 108.68 2kjp n ALA 14 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2kjp n ALA 14 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.30 4.21 0.00 0.00 2.20 -1.26 -3.74 119.74 119.85 2kjp s LYS 15 Ca 0.00 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2kjp s LYS 15 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2kjp s LYS 15 CO 0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 2kjp n GLY 16 N 3.63 0.00 2.88 5.54 0.00 -1.26 -4.81 105.19 111.17 2kjp n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2kjp n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 17 N -0.51 1.27 -0.00 1.61 2.36 -1.24 -4.69 119.74 118.52 2kjp s LYS 17 Ca 0.00 -1.08 0.08 0.00 -2.55 0.00 0.00 55.97 52.42 2kjp s LYS 17 Cb 0.00 -2.48 -0.02 0.00 -1.05 0.00 0.00 37.83 34.27 2kjp s LYS 17 CO 0.00 -0.75 -0.26 -1.50 1.55 0.00 0.00 175.35 174.39 2kjp s ILE 18 N 1.43 2.11 -0.25 5.43 1.10 -1.26 -4.30 121.20 125.45 2kjp s ILE 18 Ca 0.01 -1.17 -0.03 0.00 -0.51 0.00 0.00 60.65 58.95 2kjp s ILE 18 Cb -0.18 -1.75 0.10 0.00 0.15 0.00 0.00 42.46 40.78 2kjp s ILE 18 CO -0.11 0.53 0.21 -1.61 -2.11 0.00 0.00 174.94 171.84 2kjp s GLU 19 N -0.77 0.22 -0.44 3.50 0.41 -1.26 -4.93 118.70 115.42 2kjp s GLU 19 Ca 0.11 -0.12 0.04 0.00 -0.41 0.00 0.00 54.97 54.59 2kjp s GLU 19 Cb -0.10 -1.09 0.19 0.00 -1.78 0.00 0.00 34.13 31.35 2kjp s GLU 19 CO -0.00 -0.87 0.76 0.08 -0.49 0.00 0.00 175.26 174.74 2kjp s VAL 20 N 2.26 -0.84 0.00 2.63 1.01 -1.26 -4.54 120.40 119.66 2kjp s VAL 20 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2kjp s VAL 20 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2kjp s VAL 20 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2kjp n GLY 21 N 3.55 2.46 3.71 4.51 0.00 0.16 -4.99 105.19 114.59 2kjp n GLY 21 Ca 0.13 0.00 -0.30 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 -3.14 1.84 0.02 1.61 1.01 -1.26 -4.81 116.67 111.94 2kjp s ASP 22 Ca 0.00 0.58 0.08 0.00 0.71 0.00 0.00 52.55 53.92 2kjp s ASP 22 Cb 0.00 -0.82 -0.02 0.00 1.01 0.00 0.00 42.92 43.08 2kjp s ASP 22 CO 0.00 -3.55 -0.23 -0.75 0.21 0.00 0.00 175.17 170.85 2kjp s LYS 23 N -5.51 1.62 -0.27 8.23 2.20 -1.26 -3.93 119.74 120.81 2kjp s LYS 23 Ca 0.71 -0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 55.32 2kjp s LYS 23 Cb -0.09 -1.69 -0.01 0.00 -1.51 0.00 0.00 37.83 34.53 2kjp s LYS 23 CO 0.55 0.44 0.07 0.96 -0.36 0.00 0.00 175.35 177.02 2kjp s ILE 24 N -0.71 4.14 0.10 5.43 -0.00 -1.25 -3.60 121.20 125.31 2kjp s ILE 24 Ca 0.09 -0.43 -0.16 0.00 -0.00 0.00 0.00 60.65 60.15 2kjp s ILE 24 Cb -0.09 -3.03 -0.07 0.00 -0.00 0.00 0.00 42.46 39.27 2kjp s ILE 24 CO 0.01 0.21 1.47 0.40 -0.00 0.00 0.00 174.94 177.04 2kjp h ILE 25 N 5.69 1.29 -2.15 8.37 2.04 -1.83 -3.48 117.51 127.44 2kjp h ILE 25 Ca -0.35 -1.20 0.19 0.00 1.00 0.00 0.00 64.86 64.50 2kjp h ILE 25 Cb 1.15 1.44 -0.11 0.00 -0.74 0.00 0.00 36.82 38.56 2kjp h ILE 25 CO 0.59 0.38 0.56 -0.94 0.00 0.00 0.00 178.15 178.74 2kjp s SER 26 N -6.27 -0.20 -0.03 1.72 1.04 -1.26 -4.61 113.70 104.09 2kjp s SER 26 Ca -0.13 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2kjp s SER 26 Cb 0.08 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2kjp s SER 26 CO 0.79 -0.71 -0.11 0.00 0.98 0.00 0.00 173.24 174.19 2kjp s ALA 27 N -3.07 1.06 -0.83 5.32 0.00 -0.34 -3.34 121.76 120.57 2kjp s ALA 27 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2kjp s ALA 27 Cb -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2kjp s ALA 27 CO -0.02 0.17 0.00 -0.40 0.00 0.00 0.00 175.76 175.52 2kjp n ASP 28 N 3.30 -2.94 0.00 0.00 5.75 -1.18 0.98 116.55 122.47 2kjp n ASP 28 Ca -0.19 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2kjp n ASP 28 Cb 0.54 -2.63 0.00 0.00 -1.03 0.00 0.00 41.12 38.00 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kjp n GLY 29 N -0.57 2.50 3.73 6.12 0.00 -1.26 -5.01 105.19 110.70 2kjp n GLY 29 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.21 4.46 0.26 1.61 1.02 0.28 -5.05 119.74 122.11 2kjp s LYS 30 Ca 0.00 0.98 -0.07 0.00 0.02 0.00 0.00 55.97 56.90 2kjp s LYS 30 Cb 0.00 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2kjp s LYS 30 CO 0.00 0.14 0.55 -0.80 -0.92 0.00 0.00 175.35 174.32 2kjp s ASN 31 N 0.51 6.53 -0.08 2.83 0.01 -1.26 -1.19 114.94 122.28 2kjp s ASN 31 Ca 0.39 0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 53.32 2kjp s ASN 31 Cb -0.19 -2.18 0.04 0.00 0.41 0.00 0.00 41.25 39.33 2kjp s ASN 31 CO 0.20 -0.14 0.17 -0.31 -1.51 0.00 0.00 177.10 175.52 2kjp s TYR 32 N -1.96 -0.21 0.00 2.20 2.02 -1.26 -4.99 117.35 113.15 2kjp s TYR 32 Ca 0.46 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 2kjp s TYR 32 Cb -0.11 -0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2kjp s TYR 32 CO 0.26 -0.21 0.05 1.04 -1.57 0.00 0.00 175.55 175.12 2kjp n GLN 33 N 4.54 0.00 -2.92 -0.62 6.02 -1.26 -4.89 117.38 118.25 2kjp n GLN 33 Ca -0.20 0.26 -0.37 0.00 -0.01 0.00 0.00 57.00 56.67 2kjp n GLN 33 Cb 0.51 -0.79 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 2kjp n GLN 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kjp s SER 34 N -2.03 7.29 0.42 1.08 0.15 -1.26 -4.93 113.70 114.42 2kjp s SER 34 Ca 0.00 1.68 0.16 0.00 0.70 0.00 0.00 55.95 58.49 2kjp s SER 34 Cb 0.00 -2.52 1.06 0.00 -1.71 0.00 0.00 66.02 62.85 2kjp s SER 34 CO 0.00 0.04 1.90 0.00 1.20 0.00 0.00 173.24 176.38 2kjp h ALA 35 N 3.57 2.15 -0.88 5.45 0.00 -1.95 -1.08 119.26 126.51 2kjp h ALA 35 Ca -0.47 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.55 2kjp h ALA 35 Cb 1.20 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2kjp h ALA 35 CO 0.66 -0.38 0.52 0.93 0.00 0.00 0.00 179.25 180.97 2kjp h GLU 36 N 0.42 0.81 -0.22 0.00 5.08 -1.99 -0.43 114.58 118.24 2kjp h GLU 36 Ca 0.41 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2kjp h GLU 36 Cb 0.96 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kjp h GLU 36 CO -0.14 0.53 0.02 0.87 -1.00 0.00 0.00 179.01 179.29 2kjp h LYS 37 N 0.83 0.37 -0.78 2.33 1.79 -1.59 -1.49 116.57 118.03 2kjp h LYS 37 Ca 0.44 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.81 2kjp h LYS 37 Cb 0.44 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 2kjp h LYS 37 CO -0.27 0.54 0.51 1.25 -1.08 0.00 0.00 179.45 180.41 2kjp h LEU 38 N 0.16 0.87 -0.41 2.94 5.85 -1.26 -0.45 115.31 123.00 2kjp h LEU 38 Ca 0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kjp h LEU 38 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2kjp h LEU 38 CO 0.01 0.62 0.16 0.40 -0.34 0.00 0.00 178.44 179.29 2kjp h ILE 39 N 1.03 1.20 -0.74 4.05 2.04 -1.03 -2.61 117.51 121.46 2kjp h ILE 39 Ca 0.30 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2kjp h ILE 39 Cb -0.07 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2kjp h ILE 39 CO -0.08 0.23 0.47 -0.78 0.00 0.00 0.00 178.15 177.99 2kjp h ASP 40 N 0.53 0.86 0.03 1.72 3.58 -0.64 -1.99 116.42 120.50 2kjp h ASP 40 Ca 0.14 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kjp h ASP 40 Cb 0.20 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2kjp h ASP 40 CO -0.01 0.63 -0.04 0.22 -2.88 0.00 0.00 179.24 177.16 2kjp h TYR 41 N 1.00 -0.10 -0.01 0.28 3.20 -0.72 -2.96 116.97 117.66 2kjp h TYR 41 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2kjp h TYR 41 Cb -0.09 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2kjp h TYR 41 CO 0.00 -0.07 0.00 0.82 -1.64 0.00 0.00 178.16 177.28 2kjp h ILE 42 N -0.09 1.00 -3.45 1.81 1.08 -1.30 -3.46 117.51 113.10 2kjp h ILE 42 Ca 0.01 -0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.22 2kjp h ILE 42 Cb 0.09 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2kjp h ILE 42 CO -0.02 0.00 -0.31 -1.54 -0.69 0.00 0.00 178.15 175.59 2kjp n SER 43 N -5.09 -3.87 -1.64 1.72 3.41 -0.77 -3.50 113.62 103.87 2kjp n SER 43 Ca -0.07 0.21 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2kjp n SER 43 Cb 0.03 -3.33 -0.00 0.00 -0.26 0.00 0.00 64.21 60.65 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2kjp n SER 44 N -1.61 -2.59 -2.49 4.04 2.88 -1.26 -5.05 113.62 107.53 2kjp n SER 44 Ca -0.15 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2kjp n SER 44 Cb 0.58 -1.51 0.07 0.00 -0.75 0.00 0.00 64.21 62.60 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 0.10 1.27 -2.24 -1.46 5.02 -1.23 -5.13 118.16 114.50 2kjp n LYS 45 Ca -0.01 -2.24 -0.32 0.00 -2.02 0.00 0.00 58.31 53.72 2kjp n LYS 45 Cb 0.01 -0.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.57 3.74 0.25 1.97 -2.85 -1.26 -4.47 119.74 115.55 2kjp s LYS 46 Ca 0.18 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.15 2kjp s LYS 46 Cb 0.35 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.02 2kjp s LYS 46 CO -0.08 -0.45 0.00 0.00 0.10 0.00 0.00 175.35 174.91 2kjp n ALA 47 N -1.84 -1.83 0.00 0.59 0.00 -1.25 -4.73 120.51 111.45 2kjp n ALA 47 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kjp n ALA 47 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.28 2.40 3.79 0.00 0.00 -1.26 -4.01 105.19 107.40 2kjp n GLY 48 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2kjp n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjp s ASP 49 N 0.00 5.66 0.16 1.61 2.15 -1.26 -4.91 116.67 120.07 2kjp s ASP 49 Ca 0.00 1.89 0.10 0.00 0.43 0.00 0.00 52.55 54.96 2kjp s ASP 49 Cb 0.00 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2kjp s ASP 49 CO 0.00 -1.25 -0.22 -0.54 -0.17 0.00 0.00 175.17 172.99 2kjp s LYS 50 N -3.98 1.35 0.08 4.34 1.02 -1.26 -3.28 119.74 118.01 2kjp s LYS 50 Ca 0.65 -1.40 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 2kjp s LYS 50 Cb -0.18 -1.59 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 2kjp s LYS 50 CO 0.36 0.35 0.60 0.54 -0.92 0.00 0.00 175.35 176.28 2kjp s VAL 51 N -1.64 0.01 -0.37 3.17 0.11 -1.26 -5.02 120.40 115.41 2kjp s VAL 51 Ca 0.16 -0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 2kjp s VAL 51 Cb -0.08 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2kjp s VAL 51 CO 0.07 -0.04 0.30 -0.89 -3.33 0.00 0.00 175.10 171.22 2kjp s THR 52 N -2.82 5.23 -0.22 5.04 2.01 -1.26 -4.72 115.64 118.90 2kjp s THR 52 Ca -0.03 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2kjp s THR 52 Cb -0.01 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2kjp s THR 52 CO -0.05 -0.15 0.12 -0.22 -0.69 0.00 0.00 174.62 173.64 2kjp s LEU 53 N 1.82 3.99 -0.17 4.42 2.96 -1.26 -3.08 118.68 127.37 2kjp s LEU 53 Ca 0.08 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2kjp s LEU 53 Cb -0.18 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2kjp s LEU 53 CO 0.11 0.10 0.07 -0.54 -1.32 0.00 0.00 176.35 174.78 2kjp s LYS 54 N 0.81 3.87 0.15 1.98 1.02 -1.21 -4.85 119.74 121.50 2kjp s LYS 54 Ca 0.06 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.76 2kjp s LYS 54 Cb -0.13 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2kjp s LYS 54 CO 0.02 0.37 -0.00 0.42 -0.92 0.00 0.00 175.35 175.24 2kjp s ILE 55 N 0.11 0.59 -0.09 2.17 1.01 -1.26 -2.26 121.20 121.47 2kjp s ILE 55 Ca 0.06 -1.96 0.04 0.00 0.00 0.00 0.00 60.65 58.79 2kjp s ILE 55 Cb -0.12 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2kjp s ILE 55 CO 0.00 -0.56 -0.21 -0.70 0.00 0.00 0.00 174.94 173.47 2kjp s GLU 56 N -3.92 2.70 -0.05 2.79 2.12 -1.24 -4.16 118.70 116.95 2kjp s GLU 56 Ca 0.21 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 2kjp s GLU 56 Cb 0.06 -2.08 0.03 0.00 0.26 0.00 0.00 34.13 32.40 2kjp s GLU 56 CO 0.02 0.16 0.03 1.03 -0.54 0.00 0.00 175.26 175.96 2kjp s ARG 57 N 0.38 0.16 -1.71 4.30 0.52 0.25 -4.60 118.95 118.26 2kjp s ARG 57 Ca -0.17 0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 2kjp s ARG 57 Cb -0.17 -0.62 0.12 0.00 0.52 0.00 0.00 34.95 34.80 2kjp s ARG 57 CO 0.07 -0.29 0.31 0.39 0.02 0.00 0.00 175.30 175.80 2kjp n GLU 58 N 5.03 -0.82 -2.52 3.54 1.02 -1.26 0.15 120.64 125.78 2kjp n GLU 58 Ca -0.09 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 2kjp n GLU 58 Cb 0.50 -4.14 0.01 0.00 -0.02 0.00 0.00 31.44 27.79 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 -4.29 -2.16 -3.87 3.49 1.02 -1.26 -5.02 120.64 108.54 2kjp n GLU 59 Ca -0.10 0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2kjp n GLU 59 Cb 0.57 -4.75 -0.13 0.00 -0.02 0.00 0.00 31.44 27.11 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kjp s LYS 60 N -4.98 0.12 0.16 3.49 1.02 0.39 -5.17 119.74 114.77 2kjp s LYS 60 Ca 0.11 -0.06 0.11 0.00 0.02 0.00 0.00 55.97 56.15 2kjp s LYS 60 Cb -0.05 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 2kjp s LYS 60 CO 0.13 -0.02 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.47 2kjp s GLU 61 N -0.27 1.51 0.00 1.68 -1.05 -1.26 0.88 118.70 120.19 2kjp s GLU 61 Ca -0.03 -1.42 0.04 0.00 -0.15 0.00 0.00 54.97 53.41 2kjp s GLU 61 Cb -0.02 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.76 2kjp s GLU 61 CO -0.00 0.43 -0.13 0.15 0.95 0.00 0.00 175.26 176.66 2kjp s LYS 62 N -2.39 0.97 -0.09 -4.83 1.02 -1.26 -5.04 119.74 108.12 2kjp s LYS 62 Ca 0.18 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 2kjp s LYS 62 Cb -0.09 -0.94 0.02 0.00 -0.52 0.00 0.00 37.83 36.30 2kjp s LYS 62 CO 0.08 0.25 -0.07 0.50 -0.92 0.00 0.00 175.35 175.20 2kjp s ARG 63 N -0.54 1.36 0.00 1.68 3.52 -1.26 -4.54 118.95 119.17 2kjp s ARG 63 Ca 0.04 -0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.35 2kjp s ARG 63 Cb -0.06 -1.41 0.00 0.00 -1.56 0.00 0.00 34.95 31.93 2kjp s ARG 63 CO 0.00 -0.21 0.14 0.08 -0.81 0.00 0.00 175.30 174.50 2kjp s VAL 64 N 1.51 0.08 -0.35 7.11 1.01 -1.26 -5.13 120.40 123.37 2kjp s VAL 64 Ca 0.01 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2kjp s VAL 64 Cb -0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2kjp s VAL 64 CO -0.05 -0.37 0.37 -0.89 0.00 0.00 0.00 175.10 174.16 2kjp s THR 65 N -1.34 5.16 0.16 3.92 2.01 -1.26 -4.80 115.64 119.49 2kjp s THR 65 Ca -0.14 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 2kjp s THR 65 Cb -0.07 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2kjp s THR 65 CO 0.02 -0.13 0.07 -1.48 -0.69 0.00 0.00 174.62 172.40 2kjp s LEU 66 N 2.03 1.69 -0.16 4.42 2.34 -1.26 -5.11 118.68 122.64 2kjp s LEU 66 Ca 0.12 -1.25 -0.16 0.00 0.06 0.00 0.00 54.13 52.90 2kjp s LEU 66 Cb -0.17 0.24 -0.04 0.00 -0.56 0.00 0.00 46.19 45.66 2kjp s LEU 66 CO 0.12 -0.73 0.38 -0.89 -1.06 0.00 0.00 176.35 174.17 2kjp s THR 67 N -3.99 5.24 0.05 5.48 2.01 -1.26 -4.39 115.64 118.78 2kjp s THR 67 Ca 0.28 0.72 -0.11 0.00 0.31 0.00 0.00 61.69 62.89 2kjp s THR 67 Cb 0.07 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2kjp s THR 67 CO 0.05 0.33 0.53 0.18 -0.69 0.00 0.00 174.62 175.02 2kjp n LEU 68 N 3.88 -0.36 -3.87 4.42 4.77 -1.21 -4.64 117.00 120.00 2kjp n LEU 68 Ca -0.09 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2kjp n LEU 68 Cb 0.52 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2kjp n LEU 68 CO 0.41 -0.50 0.24 -0.75 -1.33 0.00 0.00 177.39 175.46 2kjp s LYS 69 N -5.14 1.48 0.02 3.23 2.20 -1.26 -4.72 119.74 115.54 2kjp s LYS 69 Ca -0.04 -1.05 0.03 0.00 -0.36 0.00 0.00 55.97 54.55 2kjp s LYS 69 Cb 0.04 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 2kjp s LYS 69 CO 0.21 -0.62 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.84 2kjp s GLN 70 N -3.94 0.61 0.95 4.03 -0.21 -1.26 -3.78 119.66 116.06 2kjp s GLN 70 Ca 0.15 -0.56 -0.16 0.00 0.02 0.00 0.00 55.36 54.81 2kjp s GLN 70 Cb -0.01 -0.52 -0.14 0.00 1.00 0.00 0.00 33.01 33.33 2kjp s GLN 70 CO 0.03 0.13 -0.77 1.19 -2.12 0.00 0.00 175.29 173.74 2kjp n PHE 71 N 2.11 -4.97 -0.26 0.91 3.01 -1.23 -4.80 117.46 112.24 2kjp n PHE 71 Ca -0.18 -0.04 0.01 0.00 1.01 0.00 0.00 57.45 58.26 2kjp n PHE 71 Cb 0.56 -1.36 0.08 0.00 -0.01 0.00 0.00 39.48 38.76 2kjp n PHE 71 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2kjp h PRO 72 N -0.95 -0.01 0.00 -1.08 0.11 -1.93 -3.36 132.00 124.78 2kjp h PRO 72 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kjp h PRO 72 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kjp h PRO 72 CO 0.22 -0.01 -0.89 -0.40 -0.21 0.00 0.00 178.00 176.71 2kjp n ASP 73 N -5.50 2.49 -4.60 -2.05 5.75 -1.26 -5.01 116.55 106.37 2kjp n ASP 73 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.45 2kjp n ASP 73 Cb 0.38 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 2kjp n ASP 73 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kjp s GLU 74 N -1.92 3.24 -0.19 0.11 0.41 -1.26 -4.88 118.70 114.21 2kjp s GLU 74 Ca 0.00 1.85 -0.23 0.00 -0.41 0.00 0.00 54.97 56.18 2kjp s GLU 74 Cb 0.00 -4.30 -0.21 0.00 -1.78 0.00 0.00 34.13 27.83 2kjp s GLU 74 CO 0.00 -1.97 0.37 -1.00 -0.49 0.00 0.00 175.26 172.16 2kjp h PRO 75 N 14.13 0.02 0.00 0.39 0.13 -1.95 -3.25 132.00 141.47 2kjp h PRO 75 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kjp h PRO 75 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kjp h PRO 75 CO 0.98 1.01 0.00 -0.40 -0.23 0.00 0.00 178.00 179.36 2kjp n ASP 76 N -4.44 0.00 -4.11 1.44 5.75 -1.26 -4.43 116.55 109.50 2kjp n ASP 76 Ca -0.26 0.29 -0.28 0.00 -0.01 0.00 0.00 54.79 54.53 2kjp n ASP 76 Cb 0.65 -0.31 -0.17 0.00 -1.03 0.00 0.00 41.12 40.27 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2kjp s ARG 77 N -2.61 2.24 0.00 0.11 6.06 -1.25 -5.14 118.95 118.36 2kjp s ARG 77 Ca 0.01 -0.62 -0.03 0.00 -2.50 0.00 0.00 55.73 52.60 2kjp s ARG 77 Cb 0.01 -1.77 -0.01 0.00 0.06 0.00 0.00 34.95 33.24 2kjp s ARG 77 CO 0.02 0.11 0.05 0.00 -2.50 0.00 0.00 175.30 172.97 2kjp s ALA 78 N 0.48 -0.09 0.41 6.12 0.00 -1.26 -3.48 121.76 123.95 2kjp s ALA 78 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2kjp s ALA 78 Cb -0.16 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2kjp s ALA 78 CO 0.06 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2kjp n GLY 79 N 1.86 -4.05 0.14 0.00 0.00 -1.26 -4.58 105.19 97.30 2kjp n GLY 79 Ca -0.21 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2kjp n GLY 79 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kjp h ILE 80 N 0.82 1.16 0.00 -0.61 2.04 -1.92 -3.49 117.51 115.52 2kjp h ILE 80 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2kjp h ILE 80 Cb 0.27 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2kjp h ILE 80 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2kjp n GLY 81 N -0.75 -1.08 3.24 5.37 0.00 -1.26 -5.11 105.19 105.59 2kjp n GLY 81 Ca -0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 2kjp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s VAL 82 N -2.87 0.05 -0.83 1.61 0.11 -1.26 -4.87 120.40 112.34 2kjp s VAL 82 Ca 0.00 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2kjp s VAL 82 Cb 0.00 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kjp s VAL 82 CO 0.00 -0.21 0.00 -0.24 -3.33 0.00 0.00 175.10 171.32 2kjp n SER 83 N 1.55 -2.66 -4.56 3.54 2.88 -1.26 -4.82 113.62 108.29 2kjp n SER 83 Ca -0.20 0.19 -0.39 0.00 -1.33 0.00 0.00 58.87 57.14 2kjp n SER 83 Cb 0.56 -2.43 -0.03 0.00 -0.75 0.00 0.00 64.21 61.56 2kjp n SER 83 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kjp s LEU 84 N -2.61 3.33 0.01 2.46 2.96 -1.26 -4.85 118.68 118.72 2kjp s LEU 84 Ca 0.00 0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 54.12 2kjp s LEU 84 Cb 0.00 -2.73 -0.18 0.00 0.50 0.00 0.00 46.19 43.79 2kjp s LEU 84 CO 0.00 -2.20 1.32 -0.33 -1.32 0.00 0.00 176.35 173.82 2kjp h GLU 85 N 14.17 -0.18 -1.74 1.98 5.08 -2.04 -3.47 114.58 128.37 2kjp h GLU 85 Ca -0.27 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2kjp h GLU 85 Cb 1.15 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 30.24 2kjp h GLU 85 CO 1.19 0.15 0.53 -3.38 -1.00 0.00 0.00 179.01 176.50 2kjp s HIS 86 N -4.74 -0.37 0.07 4.33 -3.43 -1.26 -5.14 115.29 104.75 2kjp s HIS 86 Ca -0.15 0.53 -0.31 0.00 -0.80 0.00 0.00 55.06 54.34 2kjp s HIS 86 Cb 0.03 0.47 -0.07 0.00 -1.43 0.00 0.00 32.58 31.58 2kjp s HIS 86 CO 0.61 -0.39 1.38 -1.58 -2.00 0.00 0.00 174.74 172.76 2kjp s HIS 87 N -1.63 3.10 -0.15 0.38 2.46 -1.26 -4.96 115.29 113.23 2kjp s HIS 87 Ca -0.00 0.92 -0.29 0.00 0.47 0.00 0.00 55.06 56.16 2kjp s HIS 87 Cb -0.01 -3.66 -0.02 0.00 -0.13 0.00 0.00 32.58 28.77 2kjp s HIS 87 CO -0.01 -2.35 1.31 -1.01 -2.47 0.00 0.00 174.74 170.22 2kjp s HIS 88 N 1.59 2.73 -0.05 3.88 0.09 -1.26 -4.97 115.29 117.30 2kjp s HIS 88 Ca 0.64 0.90 -0.30 0.00 -0.00 0.00 0.00 55.06 56.30 2kjp s HIS 88 Cb -0.34 -3.56 -0.05 0.00 -0.00 0.00 0.00 32.58 28.63 2kjp s HIS 88 CO 0.29 -1.99 1.46 -3.38 -0.00 0.00 0.00 174.74 171.11 2kjp s HIS 89 N 3.54 2.57 0.18 1.40 -3.43 -1.26 -4.91 115.29 113.38 2kjp s HIS 89 Ca 0.57 0.65 -0.10 0.00 -0.80 0.00 0.00 55.06 55.39 2kjp s HIS 89 Cb -0.23 -3.71 0.06 0.00 -1.43 0.00 0.00 32.58 27.26 2kjp s HIS 89 CO 0.17 -2.76 1.64 0.45 -2.00 0.00 0.00 174.74 172.24 2kjp h HIS 90 N 8.45 1.13 0.00 0.38 3.86 -2.06 -3.57 115.15 123.34 2kjp h HIS 90 Ca -0.36 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 2kjp h HIS 90 Cb 1.16 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2kjp h HIS 90 CO 0.80 1.00 0.00 1.58 0.86 0.00 0.00 177.93 182.17