#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 2.53 0.24 4.83 0.00 -1.26 -2.68 105.19 108.85 2kjp n GLY 2 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 1.25 -0.02 -0.61 2.04 -1.94 -3.44 117.51 114.79 2kjp h ILE 3 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2kjp h ILE 3 Cb 0.00 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2kjp h ILE 3 CO 0.00 0.32 0.00 -1.22 0.00 0.00 0.00 178.15 177.25 2kjp n TYR 4 N -4.44 -0.53 -3.75 1.37 4.01 -1.09 -4.77 117.16 107.95 2kjp n TYR 4 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 2kjp n TYR 4 Cb 0.25 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.07 -0.26 -0.18 -0.72 0.00 -1.25 -4.95 121.76 112.33 2kjp s ALA 5 Ca 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2kjp s ALA 5 Cb 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 23.12 22.46 2kjp s ALA 5 CO 0.00 -0.15 0.17 0.45 0.00 0.00 0.00 175.76 176.23 2kjp n SER 6 N 4.15 2.02 -3.58 0.00 2.88 -1.26 0.14 113.62 117.96 2kjp n SER 6 Ca -0.26 0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 2kjp n SER 6 Cb 0.52 -0.83 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 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 -6.96 -0.27 0.03 -3.46 1.04 -1.26 -4.67 113.70 98.16 2kjp s SER 7 Ca -0.27 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2kjp s SER 7 Cb 0.08 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2kjp s SER 7 CO 0.67 -0.31 -0.01 0.68 0.98 0.00 0.00 173.24 175.24 2kjp s VAL 8 N -1.67 0.16 0.03 5.02 -7.23 -1.26 -5.02 120.40 110.42 2kjp s VAL 8 Ca 0.03 -1.28 -0.24 0.00 -1.81 0.00 0.00 61.98 58.68 2kjp s VAL 8 Cb -0.01 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 2kjp s VAL 8 CO -0.03 -0.71 0.74 -0.69 -0.31 0.00 0.00 175.10 174.10 2kjp s VAL 9 N -2.55 4.79 0.00 1.32 1.01 -1.26 -5.07 120.40 118.64 2kjp s VAL 9 Ca -0.06 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.49 2kjp s VAL 9 Cb -0.02 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2kjp s VAL 9 CO -0.05 0.35 0.00 -1.84 0.00 0.00 0.00 175.10 173.57 2kjp n GLU 10 N 2.92 2.45 -1.76 2.72 0.28 -1.26 -4.56 120.64 121.43 2kjp n GLU 10 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.80 2kjp n GLU 10 Cb 0.50 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.32 2kjp n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kjp n ASN 11 N 0.00 -5.02 -4.45 -1.84 5.03 -1.26 -5.00 115.26 102.73 2kjp n ASN 11 Ca 0.00 0.27 -0.31 0.00 0.87 0.00 0.00 54.58 55.42 2kjp n ASN 11 Cb 0.00 -4.04 -0.07 0.00 -1.02 0.00 0.00 39.78 34.65 2kjp n ASN 11 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2kjp n MET 12 N -2.55 0.70 0.21 3.52 0.00 -1.26 -4.99 117.12 112.76 2kjp n MET 12 Ca -0.18 -3.66 0.12 0.00 0.00 0.00 0.00 57.70 53.98 2kjp n MET 12 Cb 0.59 1.28 0.66 0.00 0.00 0.00 0.00 33.22 35.74 2kjp n MET 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2kjp h PRO 13 N 0.00 0.00 0.00 0.03 0.11 -1.94 -3.42 132.00 126.78 2kjp h PRO 13 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2kjp h PRO 13 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kjp h PRO 13 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2kjp n ALA 14 N -1.78 0.00 -1.64 -0.75 0.00 -1.26 -4.45 120.51 110.63 2kjp n ALA 14 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2kjp n ALA 14 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 2.92 0.00 0.00 2.20 -1.26 -0.63 119.74 122.98 2kjp s LYS 15 Ca 0.00 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 2kjp s LYS 15 Cb 0.00 -4.40 0.00 0.00 -1.51 0.00 0.00 37.83 31.92 2kjp s LYS 15 CO 0.00 -2.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.06 2kjp n GLY 16 N 5.79 1.34 2.70 5.54 0.00 -1.26 -5.05 105.19 114.25 2kjp n GLY 16 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 0.46 -0.09 1.61 -2.85 0.20 -4.72 119.74 114.33 2kjp s LYS 17 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2kjp s LYS 17 Cb 0.00 -1.92 -0.03 0.00 -2.06 0.00 0.00 37.83 33.82 2kjp s LYS 17 CO 0.00 -0.62 -0.07 -1.50 0.10 0.00 0.00 175.35 173.26 2kjp s ILE 18 N 1.96 3.65 -0.21 3.79 1.10 -1.26 -4.49 121.20 125.74 2kjp s ILE 18 Ca 0.00 -0.48 -0.05 0.00 -0.51 0.00 0.00 60.65 59.61 2kjp s ILE 18 Cb -0.16 -2.51 0.08 0.00 0.15 0.00 0.00 42.46 40.01 2kjp s ILE 18 CO -0.08 0.57 0.12 -1.61 -2.11 0.00 0.00 174.94 171.83 2kjp s GLU 19 N -0.51 0.11 -0.34 3.50 2.02 -1.26 -4.92 118.70 117.30 2kjp s GLU 19 Ca 0.08 -0.17 -0.07 0.00 0.02 0.00 0.00 54.97 54.82 2kjp s GLU 19 Cb -0.12 -1.56 0.20 0.00 0.10 0.00 0.00 34.13 32.75 2kjp s GLU 19 CO 0.02 -0.77 1.05 0.54 0.02 0.00 0.00 175.26 176.12 2kjp s VAL 20 N 2.15 -0.24 0.00 2.63 0.11 -1.26 -4.31 120.40 119.48 2kjp s VAL 20 Ca 0.05 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2kjp s VAL 20 Cb -0.16 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2kjp s VAL 20 CO -0.17 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 2kjp n GLY 21 N 3.25 2.91 3.66 6.54 0.00 0.36 -4.96 105.19 116.96 2kjp n GLY 21 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 0.30 0.47 -4.66 1.61 8.00 -1.26 -4.54 116.55 116.47 2kjp n ASP 22 Ca 0.00 0.49 -0.35 0.00 0.71 0.00 0.00 54.79 55.64 2kjp n ASP 22 Cb 0.00 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 39.53 2kjp n ASP 22 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kjp s LYS 23 N -4.35 3.43 -0.36 -1.24 2.20 -1.26 -3.96 119.74 114.20 2kjp s LYS 23 Ca 0.69 -0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 2kjp s LYS 23 Cb -0.26 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2kjp s LYS 23 CO 0.56 0.51 0.41 0.96 -0.36 0.00 0.00 175.35 177.43 2kjp s ILE 24 N -0.34 5.12 0.05 5.43 -0.00 -1.26 -2.65 121.20 127.55 2kjp s ILE 24 Ca 0.08 0.02 -0.22 0.00 -0.00 0.00 0.00 60.65 60.52 2kjp s ILE 24 Cb -0.12 -3.90 -0.14 0.00 -0.00 0.00 0.00 42.46 38.30 2kjp s ILE 24 CO 0.02 -0.19 1.49 0.40 -0.00 0.00 0.00 174.94 176.66 2kjp h ILE 25 N 5.60 1.24 -2.09 8.37 2.04 -1.90 -3.48 117.51 127.28 2kjp h ILE 25 Ca -0.29 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 65.01 2kjp h ILE 25 Cb 1.13 1.54 -0.13 0.00 -0.74 0.00 0.00 36.82 38.62 2kjp h ILE 25 CO 0.73 0.21 0.58 -0.94 0.00 0.00 0.00 178.15 178.73 2kjp s SER 26 N -5.65 -0.24 -0.05 1.72 1.04 -1.26 -4.67 113.70 104.60 2kjp s SER 26 Ca -0.14 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2kjp s SER 26 Cb 0.05 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 2kjp s SER 26 CO 0.70 -0.62 -0.16 0.00 0.98 0.00 0.00 173.24 174.14 2kjp s ALA 27 N -2.99 1.48 -1.36 5.32 0.00 -0.89 -2.77 121.76 120.55 2kjp s ALA 27 Ca 0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 2kjp s ALA 27 Cb -0.00 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.72 2kjp s ALA 27 CO -0.04 0.25 0.55 -0.40 0.00 0.00 0.00 175.76 176.12 2kjp n ASP 28 N 3.22 -3.22 0.00 0.00 5.75 -1.03 0.65 116.55 121.92 2kjp n ASP 28 Ca -0.18 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2kjp n ASP 28 Cb 0.53 -2.68 0.00 0.00 -1.03 0.00 0.00 41.12 37.94 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 -1.17 0.86 3.62 6.12 0.00 -1.26 -4.97 105.19 108.40 2kjp n GLY 29 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 4.07 0.03 1.61 -0.14 0.21 -5.07 119.74 120.15 2kjp s LYS 30 Ca 0.00 0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.63 2kjp s LYS 30 Cb 0.00 -3.63 -0.06 0.00 -1.68 0.00 0.00 37.83 32.46 2kjp s LYS 30 CO 0.00 -0.26 0.48 -0.80 -0.76 0.00 0.00 175.35 174.01 2kjp s ASN 31 N 1.48 6.92 -0.05 2.83 0.01 -1.26 -2.10 114.94 122.76 2kjp s ASN 31 Ca 0.18 1.09 0.02 0.00 -0.71 0.00 0.00 52.86 53.45 2kjp s ASN 31 Cb -0.16 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.22 2kjp s ASN 31 CO 0.09 0.30 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.55 2kjp s TYR 32 N -1.07 1.36 -2.60 2.20 2.02 -1.26 -5.02 117.35 112.97 2kjp s TYR 32 Ca 0.26 -0.46 0.22 0.00 -0.37 0.00 0.00 57.07 56.72 2kjp s TYR 32 Cb -0.18 -0.99 0.25 0.00 -0.40 0.00 0.00 41.96 40.65 2kjp s TYR 32 CO 0.16 -0.23 1.26 1.04 -1.57 0.00 0.00 175.55 176.21 2kjp n GLN 33 N 3.65 2.19 -3.79 -0.62 6.02 -1.26 -4.93 117.38 118.64 2kjp n GLN 33 Ca -0.22 -1.96 -0.13 0.00 -0.01 0.00 0.00 57.00 54.69 2kjp n GLN 33 Cb 0.52 -1.44 -0.13 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.70 -0.16 0.23 1.08 0.15 -1.26 -5.05 113.70 107.00 2kjp s SER 34 Ca 0.29 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.21 2kjp s SER 34 Cb 0.19 0.29 0.32 0.00 -1.71 0.00 0.00 66.02 65.12 2kjp s SER 34 CO 0.28 -0.09 1.82 0.00 1.20 0.00 0.00 173.24 176.46 2kjp h ALA 35 N 6.32 1.07 -0.75 5.45 0.00 -1.91 -2.13 119.26 127.31 2kjp h ALA 35 Ca -0.31 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2kjp h ALA 35 Cb 1.18 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2kjp h ALA 35 CO 0.41 0.13 0.40 1.49 0.00 0.00 0.00 179.25 181.68 2kjp h GLU 36 N 0.80 0.64 -0.49 0.00 4.81 -1.96 -1.65 114.58 116.73 2kjp h GLU 36 Ca 0.35 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2kjp h GLU 36 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2kjp h GLU 36 CO -0.20 0.43 0.17 0.87 -0.73 0.00 0.00 179.01 179.54 2kjp h LYS 37 N 0.66 0.76 -0.52 1.92 1.79 -1.82 -1.44 116.57 117.93 2kjp h LYS 37 Ca 0.37 -0.16 0.03 0.00 -2.18 0.00 0.00 60.65 58.72 2kjp h LYS 37 Cb 0.38 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2kjp h LYS 37 CO -0.26 0.70 0.29 1.25 -1.08 0.00 0.00 179.45 180.34 2kjp h LEU 38 N 0.66 0.44 -0.27 2.94 5.85 -1.03 -0.11 115.31 123.78 2kjp h LEU 38 Ca 0.16 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kjp h LEU 38 Cb 0.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2kjp h LEU 38 CO -0.01 0.31 0.14 0.40 -0.34 0.00 0.00 178.44 178.94 2kjp h ILE 39 N 0.56 1.13 -0.62 4.05 2.04 -1.20 -2.66 117.51 120.81 2kjp h ILE 39 Ca 0.22 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2kjp h ILE 39 Cb 0.08 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2kjp h ILE 39 CO -0.12 0.13 0.27 0.44 0.00 0.00 0.00 178.15 178.87 2kjp h ASP 40 N 0.32 0.32 -0.15 1.72 3.32 -0.65 -1.20 116.42 120.10 2kjp h ASP 40 Ca 0.10 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2kjp h ASP 40 Cb 0.09 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2kjp h ASP 40 CO -0.01 0.19 0.00 0.22 -1.72 0.00 0.00 179.24 177.92 2kjp h TYR 41 N 0.48 -0.00 -0.05 4.55 3.20 -0.73 -2.89 116.97 121.53 2kjp h TYR 41 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 2kjp h TYR 41 Cb 0.33 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2kjp h TYR 41 CO -0.14 -0.02 0.03 0.82 -1.64 0.00 0.00 178.16 177.21 2kjp h ILE 42 N 0.06 1.00 -2.68 1.81 2.04 -1.11 -3.45 117.51 115.18 2kjp h ILE 42 Ca 0.07 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 2kjp h ILE 42 Cb 0.08 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2kjp h ILE 42 CO -0.12 0.01 -0.09 -1.20 0.00 0.00 0.00 178.15 176.75 2kjp n SER 43 N -5.07 -1.47 -1.82 1.72 7.64 -0.50 -2.87 113.62 111.26 2kjp n SER 43 Ca -0.06 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.01 2kjp n SER 43 Cb 0.03 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 61.65 2kjp n SER 43 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kjp n SER 44 N -0.19 -2.65 -2.81 6.43 3.41 -1.26 -5.04 113.62 111.51 2kjp n SER 44 Ca -0.05 0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 58.94 2kjp n SER 44 Cb 0.27 -2.18 0.05 0.00 -0.26 0.00 0.00 64.21 62.09 2kjp n SER 44 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kjp n LYS 45 N 0.32 1.80 -3.54 4.33 2.85 -1.14 -5.04 118.16 117.75 2kjp n LYS 45 Ca -0.06 -3.53 -0.20 0.00 -1.05 0.00 0.00 58.31 53.47 2kjp n LYS 45 Cb 0.09 -1.63 -0.01 0.00 -0.65 0.00 0.00 35.03 32.83 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2kjp s LYS 46 N -3.80 3.18 -0.04 -1.58 1.02 -1.26 -4.54 119.74 112.72 2kjp s LYS 46 Ca 0.28 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2kjp s LYS 46 Cb 0.32 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2kjp s LYS 46 CO -0.04 0.12 0.01 0.00 -0.92 0.00 0.00 175.35 174.52 2kjp n ALA 47 N -1.62 -3.09 0.00 5.17 0.00 -1.25 -4.71 120.51 115.00 2kjp n ALA 47 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kjp n ALA 47 Cb 0.58 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.17 3.05 3.77 0.00 0.00 -1.26 -5.01 105.19 105.91 2kjp n GLY 48 Ca -0.02 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 6.59 0.17 1.61 1.01 -1.26 -4.86 116.67 119.93 2kjp s ASP 49 Ca 0.00 2.29 0.08 0.00 0.71 0.00 0.00 52.55 55.63 2kjp s ASP 49 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kjp s ASP 49 CO 0.00 -0.63 -0.02 -0.54 0.21 0.00 0.00 175.17 174.19 2kjp s LYS 50 N -2.30 2.33 0.09 8.23 1.02 -1.26 -3.18 119.74 124.67 2kjp s LYS 50 Ca 0.57 -1.14 -0.26 0.00 0.02 0.00 0.00 55.97 55.16 2kjp s LYS 50 Cb -0.29 -2.32 0.08 0.00 -0.52 0.00 0.00 37.83 34.78 2kjp s LYS 50 CO 0.37 0.45 0.77 0.54 -0.92 0.00 0.00 175.35 176.56 2kjp s VAL 51 N -1.72 0.00 -0.19 3.17 0.11 -1.26 -5.03 120.40 115.48 2kjp s VAL 51 Ca 0.27 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2kjp s VAL 51 Cb -0.09 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2kjp s VAL 51 CO 0.18 0.00 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.02 2kjp s THR 52 N -3.43 3.62 -0.18 5.04 2.01 -1.26 -4.63 115.64 116.81 2kjp s THR 52 Ca 0.05 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 2kjp s THR 52 Cb -0.01 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 2kjp s THR 52 CO -0.08 0.44 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 2kjp s LEU 53 N 1.02 3.06 -0.16 4.42 1.43 -1.26 -2.45 118.68 124.75 2kjp s LEU 53 Ca 0.01 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 2kjp s LEU 53 Cb -0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2kjp s LEU 53 CO 0.01 0.09 0.40 -0.54 0.23 0.00 0.00 176.35 176.53 2kjp s LYS 54 N 0.85 4.27 0.16 1.70 -0.14 -1.12 -4.89 119.74 120.57 2kjp s LYS 54 Ca -0.01 0.27 0.09 0.00 -1.36 0.00 0.00 55.97 54.97 2kjp s LYS 54 Cb -0.15 -3.46 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 2kjp s LYS 54 CO 0.01 0.12 -0.21 0.42 -0.76 0.00 0.00 175.35 174.94 2kjp s ILE 55 N 0.78 1.97 -0.14 2.17 -1.09 -1.26 -3.14 121.20 120.48 2kjp s ILE 55 Ca 0.21 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 2kjp s ILE 55 Cb -0.14 -1.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 2kjp s ILE 55 CO 0.08 -0.18 -0.15 -0.70 -1.23 0.00 0.00 174.94 172.75 2kjp s GLU 56 N -2.53 3.26 -0.06 2.79 2.12 -1.09 -4.04 118.70 119.16 2kjp s GLU 56 Ca 0.15 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 2kjp s GLU 56 Cb -0.07 -2.61 0.03 0.00 0.26 0.00 0.00 34.13 31.74 2kjp s GLU 56 CO 0.07 0.10 0.04 1.03 -0.54 0.00 0.00 175.26 175.96 2kjp s ARG 57 N 0.63 0.15 -1.60 4.30 0.52 0.13 -4.42 118.95 118.65 2kjp s ARG 57 Ca -0.08 0.25 -0.06 0.00 -0.52 0.00 0.00 55.73 55.32 2kjp s ARG 57 Cb -0.16 -0.77 0.06 0.00 0.52 0.00 0.00 34.95 34.60 2kjp s ARG 57 CO 0.03 -0.35 0.25 0.39 0.02 0.00 0.00 175.30 175.63 2kjp n GLU 58 N 5.25 -1.50 -2.38 3.54 1.02 -1.26 0.81 120.64 126.12 2kjp n GLU 58 Ca -0.05 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 2kjp n GLU 58 Cb 0.50 -4.08 -0.00 0.00 -0.02 0.00 0.00 31.44 27.84 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 -4.44 -1.63 -4.14 3.49 1.02 -1.26 -5.02 120.64 108.66 2kjp n GLU 59 Ca -0.21 0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 57.53 2kjp n GLU 59 Cb 0.64 -5.07 -0.11 0.00 -0.02 0.00 0.00 31.44 26.88 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 -4.87 0.75 0.17 3.49 1.02 0.24 -5.17 119.74 115.37 2kjp s LYS 60 Ca 0.04 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 54.96 2kjp s LYS 60 Cb -0.02 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2kjp s LYS 60 CO 0.05 0.02 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.14 2kjp s GLU 61 N -3.02 1.21 0.09 1.68 2.02 -1.26 0.18 118.70 119.60 2kjp s GLU 61 Ca 0.05 -1.43 0.07 0.00 0.02 0.00 0.00 54.97 53.68 2kjp s GLU 61 Cb -0.00 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 2kjp s GLU 61 CO -0.02 0.20 -0.18 0.15 0.02 0.00 0.00 175.26 175.42 2kjp s LYS 62 N -3.14 1.00 -0.18 1.61 1.02 -1.26 -5.03 119.74 113.77 2kjp s LYS 62 Ca 0.16 -1.08 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 2kjp s LYS 62 Cb -0.03 -1.16 0.05 0.00 -0.52 0.00 0.00 37.83 36.16 2kjp s LYS 62 CO 0.05 0.27 -0.04 1.03 -0.92 0.00 0.00 175.35 175.74 2kjp s ARG 63 N -1.86 1.33 -0.03 1.68 0.52 -1.26 -4.58 118.95 114.76 2kjp s ARG 63 Ca 0.03 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2kjp s ARG 63 Cb -0.10 -2.09 0.02 0.00 0.52 0.00 0.00 34.95 33.30 2kjp s ARG 63 CO 0.03 -0.48 0.06 0.08 0.02 0.00 0.00 175.30 175.01 2kjp s VAL 64 N 1.64 -0.02 -0.32 3.52 1.01 -1.26 -5.13 120.40 119.83 2kjp s VAL 64 Ca -0.00 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 2kjp s VAL 64 Cb -0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2kjp s VAL 64 CO -0.07 0.03 0.32 -0.89 0.00 0.00 0.00 175.10 174.49 2kjp s THR 65 N 0.45 5.21 0.13 3.92 2.01 -1.26 -4.80 115.64 121.30 2kjp s THR 65 Ca -0.04 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2kjp s THR 65 Cb -0.05 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2kjp s THR 65 CO -0.02 0.01 -0.00 -1.48 -0.69 0.00 0.00 174.62 172.44 2kjp s LEU 66 N 1.95 2.15 -0.11 4.42 0.05 -1.26 -5.15 118.68 120.72 2kjp s LEU 66 Ca 0.11 -1.13 -0.11 0.00 0.05 0.00 0.00 54.13 53.05 2kjp s LEU 66 Cb -0.16 0.06 -0.05 0.00 -2.05 0.00 0.00 46.19 43.99 2kjp s LEU 66 CO 0.11 -0.60 0.24 0.28 -0.55 0.00 0.00 176.35 175.83 2kjp s THR 67 N -3.79 5.34 1.22 5.48 -1.32 -1.26 -4.34 115.64 116.97 2kjp s THR 67 Ca 0.20 0.44 -0.14 0.00 -1.21 0.00 0.00 61.69 60.97 2kjp s THR 67 Cb 0.07 -3.54 0.31 0.00 -1.51 0.00 0.00 72.50 67.83 2kjp s THR 67 CO 0.00 0.54 1.01 -0.76 -2.21 0.00 0.00 174.62 173.19 2kjp s LEU 68 N -0.53 0.41 0.07 9.08 1.43 -1.19 -4.87 118.68 123.09 2kjp s LEU 68 Ca 0.17 1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 2kjp s LEU 68 Cb -0.13 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2kjp s LEU 68 CO 0.05 -4.48 0.22 -0.75 0.23 0.00 0.00 176.35 171.62 2kjp s LYS 69 N -4.52 0.82 0.04 1.70 2.47 -1.26 -3.92 119.74 115.07 2kjp s LYS 69 Ca 0.69 -0.80 0.08 0.00 -1.56 0.00 0.00 55.97 54.37 2kjp s LYS 69 Cb -0.24 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.45 2kjp s LYS 69 CO 0.64 -0.26 -0.21 1.14 0.16 0.00 0.00 175.35 176.82 2kjp s GLN 70 N -3.36 1.46 0.24 4.03 -2.07 -1.26 -4.38 119.66 114.31 2kjp s GLN 70 Ca 0.01 -0.95 -0.29 0.00 -1.82 0.00 0.00 55.36 52.30 2kjp s GLN 70 Cb 0.02 -1.58 -0.15 0.00 -1.09 0.00 0.00 33.01 30.22 2kjp s GLN 70 CO -0.08 0.40 0.95 1.19 -1.32 0.00 0.00 175.29 176.43 2kjp n PHE 71 N 1.88 0.92 0.09 9.60 3.72 -1.26 -4.93 117.46 127.47 2kjp n PHE 71 Ca -0.17 0.76 -0.11 0.00 -0.05 0.00 0.00 57.45 57.88 2kjp n PHE 71 Cb 0.53 -2.20 -0.07 0.00 -0.94 0.00 0.00 39.48 36.80 2kjp n PHE 71 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kjp h PRO 72 N 2.17 -0.29 0.00 -1.08 0.13 -1.96 -3.16 132.00 127.80 2kjp h PRO 72 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2kjp h PRO 72 Cb 1.36 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2kjp h PRO 72 CO 0.62 0.08 0.00 -3.47 -0.23 0.00 0.00 178.00 175.00 2kjp n ASP 73 N -4.99 0.00 -2.95 1.44 2.03 -1.26 -3.96 116.55 106.85 2kjp n ASP 73 Ca -0.08 -1.08 -0.15 0.00 0.52 0.00 0.00 54.79 54.00 2kjp n ASP 73 Cb 0.26 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.65 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kjp n GLU 74 N -0.77 0.71 0.00 -0.67 4.07 -1.22 -4.96 120.64 117.79 2kjp n GLU 74 Ca 0.10 -2.40 0.15 0.00 -0.06 0.00 0.00 57.16 54.94 2kjp n GLU 74 Cb 0.04 -1.38 0.71 0.00 -0.06 0.00 0.00 31.44 30.76 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kjp n PRO 75 N 1.70 0.74 0.21 5.31 -0.04 -1.19 -3.32 135.00 138.41 2kjp n PRO 75 Ca 0.15 -0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2kjp n PRO 75 Cb 0.58 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.82 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kjp h ASP 76 N 0.42 0.00 -4.74 3.54 3.32 -1.93 -3.45 116.42 113.57 2kjp h ASP 76 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 2kjp h ASP 76 Cb 0.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.62 2kjp h ASP 76 CO 0.00 0.00 -0.73 -0.13 -1.72 0.00 0.00 179.24 176.66 2kjp s ARG 77 N -3.27 0.57 0.02 3.56 0.52 -1.21 -5.17 118.95 113.97 2kjp s ARG 77 Ca 0.06 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2kjp s ARG 77 Cb 0.07 -0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 2kjp s ARG 77 CO 0.64 0.04 0.00 0.00 0.02 0.00 0.00 175.30 176.00 2kjp s ALA 78 N -1.67 0.06 0.00 2.13 0.00 -1.26 -4.47 121.76 116.55 2kjp s ALA 78 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kjp s ALA 78 Cb -0.08 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2kjp s ALA 78 CO -0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2kjp n GLY 79 N 1.44 1.25 0.17 0.00 0.00 -1.26 -4.26 105.19 102.53 2kjp n GLY 79 Ca -0.23 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 1.19 0.00 -0.61 2.04 -2.01 -3.46 117.51 114.66 2kjp h ILE 80 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2kjp h ILE 80 Cb 0.00 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2kjp h ILE 80 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.97 2kjp n GLY 81 N -0.74 1.41 2.99 5.37 0.00 -1.26 -4.55 105.19 108.41 2kjp n GLY 81 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -8.66 -1.89 1.61 0.31 -1.26 -4.91 118.33 103.54 2kjp n VAL 82 Ca 0.00 0.97 -0.36 0.00 -0.01 0.00 0.00 64.34 64.94 2kjp n VAL 82 Cb 0.00 -5.83 0.05 0.00 -0.91 0.00 0.00 33.84 27.15 2kjp n VAL 82 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kjp s SER 83 N -1.85 4.92 -0.30 4.52 1.04 -1.26 -4.96 113.70 115.81 2kjp s SER 83 Ca 0.16 2.48 0.07 0.00 0.48 0.00 0.00 55.95 59.14 2kjp s SER 83 Cb -0.03 -2.61 0.25 0.00 0.10 0.00 0.00 66.02 63.73 2kjp s SER 83 CO 0.68 -1.78 1.19 -0.11 0.98 0.00 0.00 173.24 174.20 2kjp n LEU 84 N -1.75 -1.29 0.00 2.42 7.94 -1.26 -4.96 117.00 118.09 2kjp n LEU 84 Ca 0.15 -2.57 0.06 0.00 -1.11 0.00 0.00 56.01 52.54 2kjp n LEU 84 Cb 0.49 0.41 0.38 0.00 0.53 0.00 0.00 43.42 45.23 2kjp n LEU 84 CO 0.45 1.51 0.60 -0.62 -1.11 0.00 0.00 177.39 178.23 2kjp n GLU 85 N -0.74 0.57 0.00 1.96 1.02 -1.26 -4.97 120.64 117.23 2kjp n GLU 85 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2kjp n GLU 85 Cb 0.75 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 2kjp n GLU 85 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kjp n HIS 86 N -0.85 -1.46 -2.75 -0.32 8.25 -1.26 -4.98 115.22 111.85 2kjp n HIS 86 Ca 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2kjp n HIS 86 Cb 0.04 0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 2kjp n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kjp n HIS 87 N -1.06 -3.22 -0.36 4.41 8.25 -1.26 -4.85 115.22 117.12 2kjp n HIS 87 Ca 0.00 1.84 -0.02 0.00 -0.26 0.00 0.00 57.72 59.28 2kjp n HIS 87 Cb 0.00 -3.12 0.11 0.00 1.12 0.00 0.00 29.99 28.10 2kjp n HIS 87 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjp h HIS 88 N 4.29 1.21 -2.41 4.41 -0.00 -2.04 -3.44 115.15 117.16 2kjp h HIS 88 Ca -0.38 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 59.94 2kjp h HIS 88 Cb 0.88 -0.41 -0.20 0.00 -0.00 0.00 0.00 27.41 27.68 2kjp h HIS 88 CO 0.00 0.75 -0.02 -3.38 -0.00 0.00 0.00 177.93 175.29 2kjp s HIS 89 N -6.12 -0.51 0.17 2.45 -3.43 -1.26 -5.05 115.29 101.54 2kjp s HIS 89 Ca -0.13 1.00 -0.10 0.00 -0.80 0.00 0.00 55.06 55.03 2kjp s HIS 89 Cb 0.18 0.26 0.04 0.00 -1.43 0.00 0.00 32.58 31.63 2kjp s HIS 89 CO 0.81 -0.45 1.61 0.45 -2.00 0.00 0.00 174.74 175.16 2kjp h HIS 90 N 3.94 1.12 0.00 0.38 3.86 -1.99 -3.55 115.15 118.91 2kjp h HIS 90 Ca -0.28 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2kjp h HIS 90 Cb 1.16 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2kjp h HIS 90 CO 0.43 1.02 0.00 0.72 0.86 0.00 0.00 177.93 180.95