#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 -1.65 0.18 7.41 0.00 -1.26 -4.70 105.19 105.17 2kjp n GLY 2 Ca 0.00 0.65 0.14 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 0.00 -2.42 -0.61 3.07 -1.93 -3.39 117.51 112.23 2kjp h ILE 3 Ca 0.00 -0.20 -0.34 0.00 1.55 0.00 0.00 64.86 65.87 2kjp h ILE 3 Cb 0.00 0.94 -0.35 0.00 -0.27 0.00 0.00 36.82 37.14 2kjp h ILE 3 CO 0.00 0.00 -0.64 -0.47 -1.05 0.00 0.00 178.15 175.99 2kjp s TYR 4 N -3.52 -0.29 -0.04 0.16 6.14 -1.26 -4.06 117.35 114.48 2kjp s TYR 4 Ca 0.01 0.02 -0.30 0.00 0.64 0.00 0.00 57.07 57.44 2kjp s TYR 4 Cb 0.09 -0.43 -0.04 0.00 0.42 0.00 0.00 41.96 42.00 2kjp s TYR 4 CO 0.37 -0.72 1.28 0.00 0.64 0.00 0.00 175.55 177.12 2kjp s ALA 5 N 2.32 3.54 -0.12 3.97 0.00 -1.24 -4.71 121.76 125.52 2kjp s ALA 5 Ca 0.08 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.84 2kjp s ALA 5 Cb -0.15 -3.56 -0.24 0.00 0.00 0.00 0.00 23.12 19.18 2kjp s ALA 5 CO -0.21 -0.86 0.36 -1.13 0.00 0.00 0.00 175.76 173.93 2kjp n SER 6 N 5.40 0.95 -3.58 0.00 3.41 -1.26 0.17 113.62 118.71 2kjp n SER 6 Ca 0.12 0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.88 2kjp n SER 6 Cb 0.45 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kjp s SER 7 N -6.13 -0.22 0.03 4.04 0.15 -1.26 -4.68 113.70 105.63 2kjp s SER 7 Ca -0.12 0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 2kjp s SER 7 Cb 0.07 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2kjp s SER 7 CO 0.79 -0.29 0.12 0.68 1.20 0.00 0.00 173.24 175.75 2kjp s VAL 8 N -1.88 0.12 -0.15 4.45 -7.23 -1.26 -5.00 120.40 109.45 2kjp s VAL 8 Ca 0.05 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.05 2kjp s VAL 8 Cb -0.01 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 2kjp s VAL 8 CO -0.04 -0.54 0.50 0.54 -0.31 0.00 0.00 175.10 175.25 2kjp s VAL 9 N -2.41 5.15 -1.15 1.32 0.11 -1.26 -4.99 120.40 117.17 2kjp s VAL 9 Ca -0.06 0.97 -0.23 0.00 -2.93 0.00 0.00 61.98 59.72 2kjp s VAL 9 Cb -0.02 -3.83 -0.10 0.00 -1.53 0.00 0.00 36.38 30.90 2kjp s VAL 9 CO -0.03 0.27 1.96 -1.83 -3.33 0.00 0.00 175.10 172.13 2kjp s GLU 10 N 1.02 2.37 0.00 1.54 -1.05 -1.26 -4.02 118.70 117.30 2kjp s GLU 10 Ca 0.26 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 2kjp s GLU 10 Cb -0.15 -5.20 0.00 0.00 -0.44 0.00 0.00 34.13 28.34 2kjp s GLU 10 CO 0.10 -4.08 0.38 -1.71 0.95 0.00 0.00 175.26 170.90 2kjp n ASN 11 N 14.89 0.00 -4.54 0.83 2.85 -1.26 -5.14 115.26 122.89 2kjp n ASN 11 Ca 0.44 -0.91 -0.28 0.00 -0.11 0.00 0.00 54.58 53.72 2kjp n ASN 11 Cb 0.47 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.39 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kjp s MET 12 N 0.00 1.98 0.00 1.20 1.00 -1.26 -5.00 119.30 117.23 2kjp s MET 12 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 55.69 53.50 2kjp s MET 12 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 34.83 33.57 2kjp s MET 12 CO 0.00 -0.26 0.47 -2.30 0.00 0.00 0.00 175.02 172.93 2kjp n PRO 13 N -1.01 0.00 0.00 2.03 -0.02 -1.26 -4.47 135.00 130.27 2kjp n PRO 13 Ca -0.10 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kjp n PRO 13 Cb 0.67 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjp n ALA 14 N -0.97 0.00 -0.84 3.55 0.00 -1.26 -4.38 120.51 116.61 2kjp n ALA 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2kjp n ALA 14 Cb 0.06 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.62 2kjp n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kjp n LYS 15 N 0.00 -0.23 0.00 0.00 4.81 -1.26 -1.37 118.16 120.11 2kjp n LYS 15 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2kjp n LYS 15 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2kjp n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjp n GLY 16 N 1.85 0.00 2.70 3.14 0.00 -1.26 -4.69 105.19 106.93 2kjp n GLY 16 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.26 0.00 1.61 -2.85 -0.47 -4.57 119.74 113.72 2kjp s LYS 17 Ca 0.00 -0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 54.70 2kjp s LYS 17 Cb 0.00 -0.92 -0.05 0.00 -2.06 0.00 0.00 37.83 34.80 2kjp s LYS 17 CO 0.00 -0.94 0.36 -1.50 0.10 0.00 0.00 175.35 173.37 2kjp s ILE 18 N 2.29 5.13 -0.19 3.79 1.10 -1.22 -4.39 121.20 127.71 2kjp s ILE 18 Ca 0.09 0.61 -0.04 0.00 -0.51 0.00 0.00 60.65 60.79 2kjp s ILE 18 Cb -0.15 -3.64 0.07 0.00 0.15 0.00 0.00 42.46 38.89 2kjp s ILE 18 CO -0.29 0.50 0.09 -1.61 -2.11 0.00 0.00 174.94 171.52 2kjp s GLU 19 N -1.33 0.19 -0.33 3.50 2.02 -1.26 -4.94 118.70 116.55 2kjp s GLU 19 Ca 0.25 -0.22 -0.08 0.00 0.02 0.00 0.00 54.97 54.95 2kjp s GLU 19 Cb -0.15 -1.80 0.19 0.00 0.10 0.00 0.00 34.13 32.47 2kjp s GLU 19 CO 0.13 -0.72 1.02 0.54 0.02 0.00 0.00 175.26 176.26 2kjp s VAL 20 N 2.08 -0.27 0.00 2.63 0.11 -1.26 -4.45 120.40 119.24 2kjp s VAL 20 Ca 0.03 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 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 -0.13 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 2kjp n GLY 21 N 3.63 3.07 3.75 6.54 0.00 0.46 -4.99 105.19 117.66 2kjp n GLY 21 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 4.90 -0.05 1.61 1.01 -1.26 -4.66 116.67 117.21 2kjp s ASP 22 Ca 0.00 2.35 -0.03 0.00 0.71 0.00 0.00 52.55 55.59 2kjp s ASP 22 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kjp s ASP 22 CO 0.00 -1.79 0.08 -0.54 0.21 0.00 0.00 175.17 173.13 2kjp s LYS 23 N -3.56 3.16 -0.26 8.23 1.02 -1.26 -3.64 119.74 123.43 2kjp s LYS 23 Ca 0.76 -0.37 -0.08 0.00 0.02 0.00 0.00 55.97 56.30 2kjp s LYS 23 Cb -0.29 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 2kjp s LYS 23 CO 0.37 0.70 0.09 0.96 -0.92 0.00 0.00 175.35 176.54 2kjp s ILE 24 N -1.08 4.42 0.07 2.17 -0.00 -1.26 -3.18 121.20 122.34 2kjp s ILE 24 Ca 0.19 -0.15 -0.19 0.00 -0.00 0.00 0.00 60.65 60.50 2kjp s ILE 24 Cb -0.12 -3.08 -0.10 0.00 -0.00 0.00 0.00 42.46 39.15 2kjp s ILE 24 CO 0.09 0.32 1.45 0.40 -0.00 0.00 0.00 174.94 177.19 2kjp h ILE 25 N 5.53 1.29 -2.04 8.37 1.08 -1.92 -3.48 117.51 126.34 2kjp h ILE 25 Ca -0.38 -1.08 0.22 0.00 -0.39 0.00 0.00 64.86 63.23 2kjp h ILE 25 Cb 1.17 1.56 -0.10 0.00 -3.07 0.00 0.00 36.82 36.39 2kjp h ILE 25 CO 0.58 0.33 0.60 -0.44 -0.69 0.00 0.00 178.15 178.52 2kjp s SER 26 N -6.04 -0.15 -0.02 1.72 0.01 -1.26 -4.78 113.70 103.17 2kjp s SER 26 Ca -0.14 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2kjp s SER 26 Cb 0.07 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2kjp s SER 26 CO 0.75 -0.69 -0.06 0.00 0.41 0.00 0.00 173.24 173.66 2kjp s ALA 27 N -2.99 0.64 -1.45 1.44 0.00 -0.74 -3.48 121.76 115.18 2kjp s ALA 27 Ca 0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 2kjp s ALA 27 Cb 0.01 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2kjp s ALA 27 CO -0.00 0.09 0.99 -3.47 0.00 0.00 0.00 175.76 173.37 2kjp n ASP 28 N 3.34 -5.68 0.00 0.00 2.03 -0.95 -0.80 116.55 114.48 2kjp n ASP 28 Ca -0.18 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.56 2kjp n ASP 28 Cb 0.55 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 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 -1.78 0.09 3.29 0.27 0.00 -1.26 -4.93 105.19 100.86 2kjp n GLY 29 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.32 3.23 0.82 1.61 2.20 0.02 -5.12 119.74 121.17 2kjp s LYS 30 Ca 0.00 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 2kjp s LYS 30 Cb 0.00 -2.54 0.11 0.00 -1.51 0.00 0.00 37.83 33.89 2kjp s LYS 30 CO 0.00 0.12 1.17 1.21 -0.36 0.00 0.00 175.35 177.49 2kjp s ASN 31 N 0.55 4.20 -0.27 1.43 3.84 -1.26 -1.80 114.94 121.63 2kjp s ASN 31 Ca -0.10 0.50 -0.01 0.00 0.21 0.00 0.00 52.86 53.46 2kjp s ASN 31 Cb -0.16 -0.91 0.14 0.00 -0.55 0.00 0.00 41.25 39.77 2kjp s ASN 31 CO 0.04 -2.05 0.34 -0.31 -2.79 0.00 0.00 177.10 172.33 2kjp s TYR 32 N -3.56 -0.68 0.08 0.43 2.02 -1.26 -4.92 117.35 109.47 2kjp s TYR 32 Ca 0.65 0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 57.37 2kjp s TYR 32 Cb -0.09 -0.26 -0.10 0.00 -0.40 0.00 0.00 41.96 41.12 2kjp s TYR 32 CO 0.49 -0.86 1.57 0.37 -1.57 0.00 0.00 175.55 175.55 2kjp h GLN 33 N 8.22 0.31 -5.94 -0.62 5.75 -1.99 -3.42 115.11 117.42 2kjp h GLN 33 Ca -0.14 -0.07 -0.57 0.00 -0.15 0.00 0.00 58.65 57.72 2kjp h GLN 33 Cb 1.11 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.56 2kjp h GLN 33 CO 0.30 0.44 0.26 -1.12 -2.65 0.00 0.00 178.83 176.05 2kjp s SER 34 N -5.70 6.94 0.24 -0.69 0.01 -1.26 -4.96 113.70 108.28 2kjp s SER 34 Ca -0.14 1.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.21 2kjp s SER 34 Cb 0.07 -2.43 0.24 0.00 0.21 0.00 0.00 66.02 64.11 2kjp s SER 34 CO 0.72 -0.30 1.82 0.00 0.41 0.00 0.00 173.24 175.89 2kjp h ALA 35 N 7.18 1.13 -0.75 1.44 0.00 -1.99 -2.32 119.26 123.95 2kjp h ALA 35 Ca -0.33 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.47 2kjp h ALA 35 Cb 1.15 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2kjp h ALA 35 CO 0.80 0.63 0.49 1.05 0.00 0.00 0.00 179.25 182.23 2kjp h GLU 36 N 1.11 0.74 -0.34 0.00 4.11 -1.92 -1.74 114.58 116.54 2kjp h GLU 36 Ca 0.26 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.49 2kjp h GLU 36 Cb 0.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kjp h GLU 36 CO -0.03 0.49 -0.40 0.87 0.07 0.00 0.00 179.01 180.01 2kjp h LYS 37 N 0.77 0.87 0.25 1.06 1.79 -1.84 -2.31 116.57 117.16 2kjp h LYS 37 Ca 0.33 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 2kjp h LYS 37 Cb 0.30 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2kjp h LYS 37 CO -0.11 1.13 -0.12 1.25 -1.08 0.00 0.00 179.45 180.51 2kjp h LEU 38 N 0.67 -0.29 -0.50 2.94 5.85 -1.04 0.48 115.31 123.43 2kjp h LEU 38 Ca 0.05 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kjp h LEU 38 Cb 1.00 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2kjp h LEU 38 CO 0.10 -0.16 0.25 -0.29 -0.34 0.00 0.00 178.44 177.99 2kjp h ILE 39 N -0.39 1.19 -0.70 4.05 2.10 -1.49 -1.76 117.51 120.51 2kjp h ILE 39 Ca -0.03 -0.52 -0.06 0.00 1.08 0.00 0.00 64.86 65.33 2kjp h ILE 39 Cb 0.30 0.61 -0.03 0.00 -1.09 0.00 0.00 36.82 36.61 2kjp h ILE 39 CO 0.06 0.21 0.20 -0.78 -1.08 0.00 0.00 178.15 176.75 2kjp h ASP 40 N 0.66 1.04 0.44 2.19 3.58 -1.29 0.70 116.42 123.75 2kjp h ASP 40 Ca 0.17 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kjp h ASP 40 Cb 0.10 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2kjp h ASP 40 CO -0.02 0.99 -0.21 0.22 -2.88 0.00 0.00 179.24 177.33 2kjp h TYR 41 N 1.05 -0.55 -0.21 0.28 3.20 0.35 -1.97 116.97 119.12 2kjp h TYR 41 Ca 0.22 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 2kjp h TYR 41 Cb 0.33 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2kjp h TYR 41 CO 0.03 -0.30 -0.40 0.97 -1.64 0.00 0.00 178.16 176.82 2kjp h ILE 42 N -0.67 1.32 0.00 1.81 6.09 -1.33 -3.08 117.51 121.66 2kjp h ILE 42 Ca -0.06 -1.62 -0.01 0.00 -1.37 0.00 0.00 64.86 61.80 2kjp h ILE 42 Cb 0.50 1.84 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 2kjp h ILE 42 CO 0.10 0.51 -0.03 0.77 -3.07 0.00 0.00 178.15 176.43 2kjp h SER 43 N 0.33 0.00 0.01 2.19 4.64 -0.90 0.64 113.55 120.45 2kjp h SER 43 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2kjp h SER 43 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2kjp h SER 43 CO 0.09 0.03 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.53 2kjp n SER 44 N -3.44 1.20 -2.71 4.97 3.41 -0.74 -4.13 113.62 112.19 2kjp n SER 44 Ca -0.02 -1.37 -0.07 0.00 -0.26 0.00 0.00 58.87 57.15 2kjp n SER 44 Cb 0.14 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.08 1.47 -4.01 4.33 4.76 0.21 -5.08 118.16 119.76 2kjp n LYS 45 Ca 0.19 -3.40 -0.31 0.00 -2.87 0.00 0.00 58.31 51.93 2kjp n LYS 45 Cb 0.31 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kjp s LYS 46 N -3.39 3.04 -0.18 1.97 1.02 -1.17 -4.54 119.74 116.50 2kjp s LYS 46 Ca 0.28 -0.62 -0.05 0.00 0.02 0.00 0.00 55.97 55.60 2kjp s LYS 46 Cb 0.41 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2kjp s LYS 46 CO 0.00 0.58 0.10 0.00 -0.92 0.00 0.00 175.35 175.11 2kjp n ALA 47 N 0.41 -3.46 0.00 5.17 0.00 -1.26 -4.76 120.51 116.62 2kjp n ALA 47 Ca -0.08 1.14 0.00 0.00 0.00 0.00 0.00 53.44 54.50 2kjp n ALA 47 Cb 0.51 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 0.90 1.23 3.20 0.00 0.00 -1.26 -5.04 105.19 104.22 2kjp n GLY 48 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 -0.42 0.17 1.61 2.15 -1.26 -5.11 116.67 111.80 2kjp s ASP 49 Ca 0.00 0.75 -0.08 0.00 0.43 0.00 0.00 52.55 53.66 2kjp s ASP 49 Cb 0.00 0.66 -0.06 0.00 -0.30 0.00 0.00 42.92 43.21 2kjp s ASP 49 CO 0.00 -0.17 0.45 -0.54 -0.17 0.00 0.00 175.17 174.74 2kjp s LYS 50 N 1.16 3.72 -0.00 4.34 1.02 -1.26 -3.72 119.74 125.00 2kjp s LYS 50 Ca -0.08 0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 2kjp s LYS 50 Cb -0.08 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2kjp s LYS 50 CO -0.09 0.43 0.31 0.08 -0.92 0.00 0.00 175.35 175.15 2kjp s VAL 51 N -1.67 0.06 -0.24 3.17 1.01 -1.26 -5.04 120.40 116.42 2kjp s VAL 51 Ca 0.42 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2kjp s VAL 51 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2kjp s VAL 51 CO 0.22 -0.28 0.09 -0.89 0.00 0.00 0.00 175.10 174.24 2kjp s THR 52 N -1.52 4.52 -0.20 3.92 2.01 -1.26 -4.74 115.64 118.38 2kjp s THR 52 Ca -0.12 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.79 2kjp s THR 52 Cb -0.05 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.38 2kjp s THR 52 CO 0.03 0.34 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.37 2kjp s LEU 53 N 1.47 2.39 0.02 4.42 1.43 -1.26 -2.24 118.68 124.90 2kjp s LEU 53 Ca 0.06 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.13 2kjp s LEU 53 Cb -0.15 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 2kjp s LEU 53 CO 0.05 -0.05 0.65 -0.54 0.23 0.00 0.00 176.35 176.68 2kjp s LYS 54 N 1.26 4.37 0.24 1.70 1.02 -1.23 -4.88 119.74 122.22 2kjp s LYS 54 Ca 0.02 0.84 0.11 0.00 0.02 0.00 0.00 55.97 56.96 2kjp s LYS 54 Cb -0.15 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 2kjp s LYS 54 CO -0.11 0.37 -0.20 0.42 -0.92 0.00 0.00 175.35 174.91 2kjp s ILE 55 N -0.24 2.53 -0.17 2.17 -1.09 -1.26 -3.15 121.20 119.99 2kjp s ILE 55 Ca 0.33 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.57 2kjp s ILE 55 Cb -0.19 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2kjp s ILE 55 CO 0.19 -0.27 -0.17 -0.70 -1.23 0.00 0.00 174.94 172.77 2kjp s GLU 56 N -3.14 3.12 -0.03 2.79 -6.30 -1.19 -4.12 118.70 109.82 2kjp s GLU 56 Ca 0.26 -0.78 -0.01 0.00 -2.50 0.00 0.00 54.97 51.94 2kjp s GLU 56 Cb -0.06 -2.62 0.03 0.00 0.00 0.00 0.00 34.13 31.48 2kjp s GLU 56 CO 0.13 -0.10 0.05 1.03 0.02 0.00 0.00 175.26 176.39 2kjp s ARG 57 N 1.07 -0.06 -1.49 4.30 0.52 0.23 -4.58 118.95 118.95 2kjp s ARG 57 Ca -0.01 0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.33 2kjp s ARG 57 Cb -0.14 -0.38 0.15 0.00 0.52 0.00 0.00 34.95 35.10 2kjp s ARG 57 CO -0.05 -0.25 0.58 0.39 0.02 0.00 0.00 175.30 175.99 2kjp n GLU 58 N 4.75 -2.42 -2.32 3.54 1.02 -1.26 0.12 120.64 124.08 2kjp n GLU 58 Ca -0.15 0.28 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 2kjp n GLU 58 Cb 0.50 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 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 -3.93 -1.22 -4.06 3.49 2.13 -1.26 -5.03 120.64 110.75 2kjp n GLU 59 Ca 0.06 0.42 -0.07 0.00 0.66 0.00 0.00 57.16 58.23 2kjp n GLU 59 Cb 0.49 -4.35 -0.10 0.00 0.27 0.00 0.00 31.44 27.75 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 -4.66 0.60 0.13 5.31 1.02 0.34 -5.16 119.74 117.32 2kjp s LYS 60 Ca 0.05 -1.13 0.04 0.00 0.02 0.00 0.00 55.97 54.95 2kjp s LYS 60 Cb -0.02 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2kjp s LYS 60 CO 0.06 -0.12 -0.10 -1.83 -0.92 0.00 0.00 175.35 172.44 2kjp s GLU 61 N -3.65 0.98 0.05 1.68 -1.05 -1.26 0.76 118.70 116.22 2kjp s GLU 61 Ca 0.04 -1.35 0.01 0.00 -0.15 0.00 0.00 54.97 53.53 2kjp s GLU 61 Cb 0.06 -0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 33.14 2kjp s GLU 61 CO -0.09 0.08 -0.06 0.15 0.95 0.00 0.00 175.26 176.29 2kjp s LYS 62 N -3.42 0.54 -0.08 -4.83 1.02 -1.26 -5.03 119.74 106.68 2kjp s LYS 62 Ca 0.13 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.25 2kjp s LYS 62 Cb 0.01 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.22 2kjp s LYS 62 CO 0.00 -0.01 -0.09 1.03 -0.92 0.00 0.00 175.35 175.37 2kjp s ARG 63 N -2.23 1.47 -0.01 1.68 0.52 -1.26 -4.38 118.95 114.74 2kjp s ARG 63 Ca -0.06 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2kjp s ARG 63 Cb -0.05 -1.38 0.01 0.00 0.52 0.00 0.00 34.95 34.05 2kjp s ARG 63 CO -0.02 -0.11 0.01 0.08 0.02 0.00 0.00 175.30 175.28 2kjp s VAL 64 N 1.15 -0.02 -0.36 3.52 1.01 -1.26 -5.13 120.40 119.31 2kjp s VAL 64 Ca -0.06 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2kjp s VAL 64 Cb -0.14 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2kjp s VAL 64 CO -0.02 0.03 0.78 0.28 0.00 0.00 0.00 175.10 176.17 2kjp s THR 65 N 0.34 4.73 0.09 3.92 -1.32 -1.26 -4.88 115.64 117.27 2kjp s THR 65 Ca -0.03 0.89 -0.00 0.00 -1.21 0.00 0.00 61.69 61.34 2kjp s THR 65 Cb -0.04 -4.21 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 2kjp s THR 65 CO -0.01 -0.43 -0.02 -0.76 -2.21 0.00 0.00 174.62 171.19 2kjp s LEU 66 N 3.10 2.30 -0.11 9.08 1.43 -1.26 -5.15 118.68 128.07 2kjp s LEU 66 Ca 0.31 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.28 2kjp s LEU 66 Cb -0.13 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 2kjp s LEU 66 CO 0.17 -0.59 0.15 -0.89 0.23 0.00 0.00 176.35 175.41 2kjp s THR 67 N -3.85 5.50 1.22 5.49 2.01 -1.26 -4.36 115.64 120.38 2kjp s THR 67 Ca 0.14 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.13 2kjp s THR 67 Cb 0.07 -3.42 0.31 0.00 0.01 0.00 0.00 72.50 69.48 2kjp s THR 67 CO -0.05 0.60 0.89 0.18 -0.69 0.00 0.00 174.62 175.55 2kjp n LEU 68 N 1.91 0.00 -4.07 4.42 4.77 -1.24 -4.87 117.00 117.92 2kjp n LEU 68 Ca -0.19 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.75 2kjp n LEU 68 Cb 0.55 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2kjp n LEU 68 CO 0.32 -2.39 0.07 -0.75 -1.33 0.00 0.00 177.39 173.31 2kjp s LYS 69 N -5.07 1.54 0.02 3.23 2.47 -1.26 -4.41 119.74 116.26 2kjp s LYS 69 Ca 0.63 -1.45 0.03 0.00 -1.56 0.00 0.00 55.97 53.61 2kjp s LYS 69 Cb -0.08 0.42 -0.01 0.00 -1.46 0.00 0.00 37.83 36.69 2kjp s LYS 69 CO 0.50 -0.61 -0.09 1.14 0.16 0.00 0.00 175.35 176.45 2kjp s GLN 70 N -3.85 0.67 -0.28 4.03 -2.07 -1.26 -4.22 119.66 112.69 2kjp s GLN 70 Ca 0.28 -0.50 -0.32 0.00 -1.82 0.00 0.00 55.36 53.00 2kjp s GLN 70 Cb 0.01 -0.61 -0.09 0.00 -1.09 0.00 0.00 33.01 31.23 2kjp s GLN 70 CO 0.12 0.15 2.19 1.19 -1.32 0.00 0.00 175.29 177.62 2kjp n PHE 71 N 2.32 1.78 -0.03 9.60 3.72 -1.26 -4.88 117.46 128.72 2kjp n PHE 71 Ca -0.17 0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.24 2kjp n PHE 71 Cb 0.56 -2.62 -0.03 0.00 -0.94 0.00 0.00 39.48 36.45 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 13.31 -0.31 0.00 -1.08 0.11 -1.95 -0.63 132.00 141.46 2kjp h PRO 72 Ca -0.34 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kjp h PRO 72 Cb 1.29 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2kjp h PRO 72 CO 0.99 -0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 2kjp n ASP 73 N -5.39 0.00 -3.32 -2.05 8.00 -1.26 -3.60 116.55 108.92 2kjp n ASP 73 Ca -0.02 0.42 -0.26 0.00 0.71 0.00 0.00 54.79 55.65 2kjp n ASP 73 Cb 0.31 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjp n GLU 74 N -1.45 0.48 0.00 -1.24 1.02 -0.25 -4.96 120.64 114.24 2kjp n GLU 74 Ca 0.02 -3.25 0.15 0.00 -0.02 0.00 0.00 57.16 54.06 2kjp n GLU 74 Cb 0.07 -1.51 0.84 0.00 -0.02 0.00 0.00 31.44 30.81 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kjp n PRO 75 N 2.21 1.15 0.06 3.49 -0.04 -1.16 -3.13 135.00 137.58 2kjp n PRO 75 Ca 0.26 -0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2kjp n PRO 75 Cb 0.50 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 2kjp n PRO 75 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kjp h ASP 76 N 0.58 0.00 -5.12 3.54 2.03 -1.93 -3.47 116.42 112.06 2kjp h ASP 76 Ca 0.00 -0.20 -0.14 0.00 -0.73 0.00 0.00 57.03 55.96 2kjp h ASP 76 Cb 0.13 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.46 2kjp h ASP 76 CO 0.00 0.10 -0.64 -0.13 -1.03 0.00 0.00 179.24 177.54 2kjp s ARG 77 N -3.21 0.52 0.02 4.15 0.52 -1.18 -5.18 118.95 114.59 2kjp s ARG 77 Ca 0.05 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 2kjp s ARG 77 Cb 0.13 0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 2kjp s ARG 77 CO 0.74 -0.10 -0.03 0.00 0.02 0.00 0.00 175.30 175.93 2kjp s ALA 78 N -2.82 0.18 0.00 2.13 0.00 -1.26 -4.40 121.76 115.59 2kjp s ALA 78 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2kjp s ALA 78 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2kjp s ALA 78 CO -0.06 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2kjp n GLY 79 N 1.89 1.34 3.01 0.00 0.00 -1.26 -4.78 105.19 105.38 2kjp n GLY 79 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.20 0.00 -0.61 -4.36 -1.26 -5.05 121.20 110.12 2kjp s ILE 80 Ca 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 2kjp s ILE 80 Cb 0.00 -0.46 0.00 0.00 1.25 0.00 0.00 42.46 43.25 2kjp s ILE 80 CO 0.00 -0.53 0.00 0.61 0.24 0.00 0.00 174.94 175.26 2kjp n GLY 81 N 1.41 -1.75 2.71 6.27 0.00 -1.26 -4.78 105.19 107.79 2kjp n GLY 81 Ca -0.23 0.77 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00-10.18 -1.70 1.61 0.31 -1.26 -4.68 118.33 102.44 2kjp n VAL 82 Ca 0.00 2.17 -0.27 0.00 -0.01 0.00 0.00 64.34 66.23 2kjp n VAL 82 Cb 0.00 -5.60 -0.05 0.00 -0.91 0.00 0.00 33.84 27.28 2kjp n VAL 82 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kjp s SER 83 N -0.51 4.45 1.61 4.52 0.15 -1.26 -4.75 113.70 117.91 2kjp s SER 83 Ca -0.22 0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2kjp s SER 83 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2kjp s SER 83 CO 0.60 -3.16 0.00 0.18 1.20 0.00 0.00 173.24 172.06 2kjp n LEU 84 N 16.22 0.00 0.00 3.45 4.77 -1.26 -4.78 117.00 135.39 2kjp n LEU 84 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2kjp n LEU 84 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kjp n LEU 84 CO 0.63 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.90 2kjp n GLU 85 N 14.00 0.00 -1.21 3.23 2.13 -1.26 -4.06 120.64 133.47 2kjp n GLU 85 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2kjp n GLU 85 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 0.00 2.24 -0.15 4.31 8.25 -1.26 -4.63 115.22 123.98 2kjp n HIS 86 Ca 0.00 -2.36 -0.09 0.00 -0.26 0.00 0.00 57.72 55.01 2kjp n HIS 86 Cb 0.00 -2.05 0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 6.50 0.64 -2.25 4.41 2.76 -1.97 -3.47 115.15 121.76 2kjp h HIS 87 Ca 0.56 -0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.87 2kjp h HIS 87 Cb 0.46 -0.20 -0.10 0.00 1.55 0.00 0.00 27.41 29.12 2kjp h HIS 87 CO 1.60 0.53 0.51 -1.58 -1.30 0.00 0.00 177.93 177.70 2kjp s HIS 88 N -5.66 -0.18 0.18 5.26 5.65 -1.26 -5.05 115.29 114.24 2kjp s HIS 88 Ca -0.13 -0.07 -0.12 0.00 0.25 0.00 0.00 55.06 54.99 2kjp s HIS 88 Cb 0.11 0.61 0.10 0.00 -1.18 0.00 0.00 32.58 32.21 2kjp s HIS 88 CO 0.75 -0.71 1.81 0.45 -0.65 0.00 0.00 174.74 176.39 2kjp h HIS 89 N 2.00 0.83 -2.58 3.88 -0.00 -2.00 -3.46 115.15 113.82 2kjp h HIS 89 Ca -0.24 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.13 2kjp h HIS 89 Cb 1.23 -0.27 -0.15 0.00 -0.00 0.00 0.00 27.41 28.23 2kjp h HIS 89 CO 0.35 0.58 0.29 -3.38 -0.00 0.00 0.00 177.93 175.76 2kjp s HIS 90 N -5.93 -0.50 -2.00 2.45 -3.43 -1.26 -5.23 115.29 99.38 2kjp s HIS 90 Ca -0.13 0.45 0.05 0.00 -0.80 0.00 0.00 55.06 54.63 2kjp s HIS 90 Cb 0.13 0.52 0.29 0.00 -1.43 0.00 0.00 32.58 32.10 2kjp s HIS 90 CO 0.77 -0.71 0.76 0.72 -2.00 0.00 0.00 174.74 174.29