#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 3.04 0.27 7.41 0.00 -1.26 -1.67 105.19 112.98 2kjp n GLY 2 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.47 -1.83 -0.61 3.07 -1.95 -3.43 117.51 113.23 2kjp h ILE 3 Ca 0.00 -0.45 -0.51 0.00 1.55 0.00 0.00 64.86 65.45 2kjp h ILE 3 Cb 0.00 1.30 -0.05 0.00 -0.27 0.00 0.00 36.82 37.80 2kjp h ILE 3 CO 0.00 0.09 -0.47 -0.31 -1.05 0.00 0.00 178.15 176.41 2kjp s TYR 4 N -4.18 2.83 0.01 0.16 2.02 -0.67 -3.88 117.35 113.64 2kjp s TYR 4 Ca -0.03 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2kjp s TYR 4 Cb 0.13 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2kjp s TYR 4 CO 0.56 0.20 0.22 0.00 -1.57 0.00 0.00 175.55 174.97 2kjp s ALA 5 N -2.35 -0.52 0.12 3.71 0.00 -1.26 -1.71 121.76 119.74 2kjp s ALA 5 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2kjp s ALA 5 Cb -0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2kjp s ALA 5 CO 0.26 -0.27 0.00 -1.13 0.00 0.00 0.00 175.76 174.61 2kjp n SER 6 N 1.16 0.74 -3.62 0.00 3.41 -1.26 -3.16 113.62 110.89 2kjp n SER 6 Ca -0.21 0.18 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 2kjp n SER 6 Cb 0.57 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kjp s SER 7 N -5.66 -0.33 0.01 4.04 1.04 -1.26 -3.60 113.70 107.93 2kjp s SER 7 Ca 0.00 0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2kjp s SER 7 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2kjp s SER 7 CO 0.00 -0.17 -0.05 0.68 0.98 0.00 0.00 173.24 174.67 2kjp s VAL 8 N -0.27 0.38 0.37 5.02 -7.23 -1.26 -5.06 120.40 112.35 2kjp s VAL 8 Ca 0.03 -0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 59.44 2kjp s VAL 8 Cb -0.03 -0.37 -0.11 0.00 0.56 0.00 0.00 36.38 36.42 2kjp s VAL 8 CO -0.06 -0.07 1.50 0.54 -0.31 0.00 0.00 175.10 176.70 2kjp s VAL 9 N -0.54 2.03 0.00 1.32 0.11 -1.26 -5.02 120.40 117.05 2kjp s VAL 9 Ca -0.03 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2kjp s VAL 9 Cb -0.04 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 2kjp s VAL 9 CO -0.00 0.01 0.00 -1.84 -3.33 0.00 0.00 175.10 169.94 2kjp n GLU 10 N 0.58 2.80 -2.06 1.54 0.28 -1.26 -4.70 120.64 117.81 2kjp n GLU 10 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 2kjp n GLU 10 Cb 0.39 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.25 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 -3.47 -3.81 -1.84 4.13 -1.26 -5.02 115.26 103.99 2kjp n ASN 11 Ca 0.00 0.03 -0.23 0.00 1.68 0.00 0.00 54.58 56.06 2kjp n ASN 11 Cb 0.00 -2.61 -0.08 0.00 -1.54 0.00 0.00 39.78 35.55 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2kjp s MET 12 N -4.27 1.84 0.00 3.52 1.00 -1.26 -5.00 119.30 115.13 2kjp s MET 12 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 55.69 53.59 2kjp s MET 12 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 34.83 34.64 2kjp s MET 12 CO 0.00 -0.55 0.51 -2.30 0.00 0.00 0.00 175.02 172.68 2kjp n PRO 13 N -0.77 0.00 0.00 2.03 -0.02 -1.26 -4.28 135.00 130.69 2kjp n PRO 13 Ca -0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2kjp n PRO 13 Cb 0.64 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.01 0.00 -1.68 3.55 0.00 -1.26 -4.26 120.51 115.84 2kjp n ALA 14 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2kjp n ALA 14 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2kjp n ALA 14 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kjp n LYS 15 N -1.57 2.42 0.00 0.00 2.85 -1.26 -0.52 118.16 120.08 2kjp n LYS 15 Ca 0.00 0.88 0.00 0.00 -1.05 0.00 0.00 58.31 58.14 2kjp n LYS 15 Cb 0.00 -2.71 0.00 0.00 -0.65 0.00 0.00 35.03 31.67 2kjp n LYS 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kjp n GLY 16 N 3.93 2.90 2.66 2.58 0.00 -1.26 -4.95 105.19 111.05 2kjp n GLY 16 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.24 0.03 -0.00 1.61 -2.85 0.32 -4.69 119.74 113.91 2kjp s LYS 17 Ca 0.00 0.14 0.05 0.00 -1.00 0.00 0.00 55.97 55.16 2kjp s LYS 17 Cb 0.00 -1.24 -0.03 0.00 -2.06 0.00 0.00 37.83 34.50 2kjp s LYS 17 CO 0.00 -0.53 -0.13 -1.50 0.10 0.00 0.00 175.35 173.28 2kjp s ILE 18 N 2.18 3.14 -0.26 3.79 1.10 -1.25 -4.28 121.20 125.61 2kjp s ILE 18 Ca 0.03 -0.89 -0.03 0.00 -0.51 0.00 0.00 60.65 59.25 2kjp s ILE 18 Cb -0.14 -2.30 0.09 0.00 0.15 0.00 0.00 42.46 40.25 2kjp s ILE 18 CO -0.07 0.45 0.10 -0.70 -2.11 0.00 0.00 174.94 172.61 2kjp s GLU 19 N -1.17 0.38 -0.46 3.50 2.12 -1.26 -4.90 118.70 116.91 2kjp s GLU 19 Ca 0.14 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.96 2kjp s GLU 19 Cb -0.11 -1.64 0.19 0.00 0.26 0.00 0.00 34.13 32.83 2kjp s GLU 19 CO 0.04 -0.89 0.73 0.08 -0.54 0.00 0.00 175.26 174.68 2kjp s VAL 20 N 1.95 -0.93 0.00 3.70 1.01 -1.26 -4.13 120.40 120.74 2kjp s VAL 20 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2kjp s VAL 20 Cb -0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.38 36.22 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 3.46 2.90 3.76 4.51 0.00 -1.19 -4.95 105.19 113.68 2kjp n GLY 21 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.16 6.94 0.27 1.61 1.01 -1.26 -4.70 116.67 118.38 2kjp s ASP 22 Ca 0.00 2.52 -0.03 0.00 0.71 0.00 0.00 52.55 55.75 2kjp s ASP 22 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kjp s ASP 22 CO 0.00 -0.42 0.50 -1.59 0.21 0.00 0.00 175.17 173.87 2kjp s LYS 23 N -1.39 3.57 -0.26 8.23 -2.85 -1.26 -4.31 119.74 121.47 2kjp s LYS 23 Ca 0.49 -0.16 -0.07 0.00 -1.00 0.00 0.00 55.97 55.24 2kjp s LYS 23 Cb -0.37 -2.71 -0.01 0.00 -2.06 0.00 0.00 37.83 32.67 2kjp s LYS 23 CO 0.47 0.27 0.05 0.96 0.10 0.00 0.00 175.35 177.20 2kjp s ILE 24 N -2.04 4.03 0.09 3.79 -0.00 -1.25 -3.89 121.20 121.92 2kjp s ILE 24 Ca 0.42 -0.41 -0.17 0.00 -0.00 0.00 0.00 60.65 60.49 2kjp s ILE 24 Cb -0.11 -2.94 -0.08 0.00 -0.00 0.00 0.00 42.46 39.33 2kjp s ILE 24 CO 0.30 0.27 1.46 0.40 -0.00 0.00 0.00 174.94 177.37 2kjp h ILE 25 N 5.68 1.29 -2.58 8.37 2.04 -1.91 -3.47 117.51 126.92 2kjp h ILE 25 Ca -0.37 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.37 2kjp h ILE 25 Cb 1.16 1.49 -0.14 0.00 -0.74 0.00 0.00 36.82 38.59 2kjp h ILE 25 CO 0.59 0.37 0.38 -0.94 0.00 0.00 0.00 178.15 178.55 2kjp s SER 26 N -6.22 -0.44 -0.49 1.72 1.04 -1.26 -3.98 113.70 104.07 2kjp s SER 26 Ca -0.13 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 2kjp s SER 26 Cb 0.08 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.81 2kjp s SER 26 CO 0.78 -0.78 0.26 0.00 0.98 0.00 0.00 173.24 174.49 2kjp s ALA 27 N -3.39 3.28 -0.16 5.32 0.00 -1.17 -2.93 121.76 122.72 2kjp s ALA 27 Ca 0.04 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.08 2kjp s ALA 27 Cb -0.01 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2kjp s ALA 27 CO -0.10 -1.92 0.00 -0.40 0.00 0.00 0.00 175.76 173.34 2kjp n ASP 28 N 3.89 -0.42 0.00 0.00 5.75 -0.80 -4.44 116.55 120.53 2kjp n ASP 28 Ca 0.03 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 2kjp n ASP 28 Cb 0.39 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 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 -0.04 2.38 3.98 6.12 0.00 -1.26 -5.02 105.19 111.34 2kjp n GLY 29 Ca -0.01 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 3.62 1.45 0.08 1.61 1.02 -1.26 -4.86 119.74 121.40 2kjp s LYS 30 Ca 0.00 -0.95 0.26 0.00 0.02 0.00 0.00 55.97 55.30 2kjp s LYS 30 Cb 0.00 -2.22 0.74 0.00 -0.52 0.00 0.00 37.83 35.82 2kjp s LYS 30 CO 0.00 -1.66 1.62 0.09 -0.92 0.00 0.00 175.35 174.48 2kjp n ASN 31 N -3.04 0.49 -2.95 2.83 4.13 -1.26 -3.03 115.26 112.44 2kjp n ASN 31 Ca 0.15 0.25 -0.01 0.00 1.68 0.00 0.00 54.58 56.65 2kjp n ASN 31 Cb 0.60 -0.23 -0.01 0.00 -1.54 0.00 0.00 39.78 38.60 2kjp n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2kjp n TYR 32 N -1.85 -1.45 -0.32 3.10 4.01 -1.26 -4.83 117.16 114.56 2kjp n TYR 32 Ca 0.05 0.80 -0.04 0.00 -0.16 0.00 0.00 57.90 58.55 2kjp n TYR 32 Cb 0.39 -1.98 0.08 0.00 -0.31 0.00 0.00 39.34 37.52 2kjp n TYR 32 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2kjp h GLN 33 N 4.41 1.19 -5.81 -0.72 7.50 -1.99 -3.40 115.11 116.28 2kjp h GLN 33 Ca -0.14 -0.13 -0.59 0.00 0.50 0.00 0.00 58.65 58.29 2kjp h GLN 33 Cb 0.50 -0.24 -0.08 0.00 0.05 0.00 0.00 27.48 27.71 2kjp h GLN 33 CO 0.01 0.86 0.38 -1.12 -1.50 0.00 0.00 178.83 177.45 2kjp s SER 34 N -6.15 6.84 0.17 1.46 0.01 -1.26 -4.95 113.70 109.82 2kjp s SER 34 Ca -0.13 1.04 -0.13 0.00 1.31 0.00 0.00 55.95 58.04 2kjp s SER 34 Cb 0.16 -2.43 0.06 0.00 0.21 0.00 0.00 66.02 64.03 2kjp s SER 34 CO 0.82 -0.43 1.75 0.00 0.41 0.00 0.00 173.24 175.79 2kjp h ALA 35 N 7.53 0.72 -0.92 1.44 0.00 -1.96 -2.67 119.26 123.40 2kjp h ALA 35 Ca -0.27 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.67 2kjp h ALA 35 Cb 1.12 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2kjp h ALA 35 CO 0.84 0.28 0.59 1.05 0.00 0.00 0.00 179.25 182.01 2kjp h GLU 36 N 0.75 0.71 -0.44 0.00 4.11 -1.96 -0.77 114.58 116.98 2kjp h GLU 36 Ca 0.19 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 2kjp h GLU 36 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kjp h GLU 36 CO -0.02 0.47 -0.01 0.87 0.07 0.00 0.00 179.01 180.39 2kjp h LYS 37 N 0.73 0.78 -0.32 1.06 1.79 -1.88 -1.50 116.57 117.24 2kjp h LYS 37 Ca 0.47 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2kjp h LYS 37 Cb 0.73 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2kjp h LYS 37 CO -0.23 0.85 0.18 1.25 -1.08 0.00 0.00 179.45 180.42 2kjp h LEU 38 N 0.62 0.39 -0.10 2.94 5.85 -1.03 0.75 115.31 124.74 2kjp h LEU 38 Ca 0.12 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kjp h LEU 38 Cb 0.50 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2kjp h LEU 38 CO 0.02 0.36 0.05 0.40 -0.34 0.00 0.00 178.44 178.93 2kjp h ILE 39 N 0.40 1.10 -0.87 4.05 2.04 -1.25 -2.71 117.51 120.26 2kjp h ILE 39 Ca 0.11 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2kjp h ILE 39 Cb 0.05 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2kjp h ILE 39 CO -0.02 0.09 0.58 0.44 0.00 0.00 0.00 178.15 179.23 2kjp h ASP 40 N 0.05 1.01 -0.46 1.72 3.32 -1.09 -2.22 116.42 118.75 2kjp h ASP 40 Ca 0.03 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.09 2kjp h ASP 40 Cb 0.09 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2kjp h ASP 40 CO -0.01 0.73 0.24 0.22 -1.72 0.00 0.00 179.24 178.71 2kjp h TYR 41 N 1.19 0.45 -0.51 4.55 3.20 -0.55 -2.42 116.97 122.87 2kjp h TYR 41 Ca 0.32 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2kjp h TYR 41 Cb -0.13 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2kjp h TYR 41 CO 0.00 0.23 0.19 0.82 -1.64 0.00 0.00 178.16 177.76 2kjp h ILE 42 N 0.48 1.22 -1.01 1.81 2.04 -1.17 -3.46 117.51 117.43 2kjp h ILE 42 Ca 0.20 -0.71 -0.23 0.00 1.00 0.00 0.00 64.86 65.12 2kjp h ILE 42 Cb 0.09 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 36.80 2kjp h ILE 42 CO -0.13 0.26 -0.21 -1.20 0.00 0.00 0.00 178.15 176.88 2kjp n SER 43 N -4.52 -3.89 -0.58 1.72 7.64 -0.87 0.34 113.62 113.45 2kjp n SER 43 Ca 0.02 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 2kjp n SER 43 Cb 0.17 -3.31 -0.03 0.00 -1.01 0.00 0.00 64.21 60.04 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kjp n SER 44 N -0.45 -3.78 -2.87 6.43 2.88 -1.26 -4.87 113.62 109.71 2kjp n SER 44 Ca -0.11 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2kjp n SER 44 Cb 0.45 -2.02 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 2kjp n SER 44 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kjp n LYS 45 N -2.70 0.00 -4.16 -1.46 2.85 0.15 -4.79 118.16 108.05 2kjp n LYS 45 Ca -0.07 -0.23 -0.30 0.00 -1.05 0.00 0.00 58.31 56.66 2kjp n LYS 45 Cb 0.27 -1.61 -0.09 0.00 -0.65 0.00 0.00 35.03 32.95 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 3.51 2.40 0.00 -1.58 1.02 -1.26 -4.57 119.74 119.26 2kjp s LYS 46 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2kjp s LYS 46 Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2kjp s LYS 46 CO 0.00 0.53 0.00 0.00 -0.92 0.00 0.00 175.35 174.96 2kjp n ALA 47 N 0.58 -1.82 0.00 5.17 0.00 -1.25 -4.83 120.51 118.36 2kjp n ALA 47 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kjp n ALA 47 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.27 2.87 3.77 0.00 0.00 -1.26 -4.99 105.19 105.31 2kjp n GLY 48 Ca 0.00 -0.80 -0.38 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 6.49 0.12 1.61 1.01 -1.26 -4.79 116.67 119.85 2kjp s ASP 49 Ca 0.00 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.65 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 -0.70 0.19 -0.54 0.21 0.00 0.00 175.17 174.33 2kjp s LYS 50 N -2.31 3.17 -0.03 8.23 1.02 -1.26 -3.45 119.74 125.12 2kjp s LYS 50 Ca 0.57 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 2kjp s LYS 50 Cb -0.31 -2.84 0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2kjp s LYS 50 CO 0.39 0.54 0.63 0.54 -0.92 0.00 0.00 175.35 176.52 2kjp s VAL 51 N -1.63 0.01 -0.22 3.17 0.11 -1.26 -5.03 120.40 115.54 2kjp s VAL 51 Ca 0.32 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.22 2kjp s VAL 51 Cb -0.11 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2kjp s VAL 51 CO 0.26 -0.04 0.12 -0.89 -3.33 0.00 0.00 175.10 171.22 2kjp s THR 52 N -1.47 5.02 -0.18 5.04 2.01 -1.26 -4.71 115.64 120.09 2kjp s THR 52 Ca -0.10 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2kjp s THR 52 Cb -0.01 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 2kjp s THR 52 CO 0.07 0.38 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.12 2kjp s LEU 53 N 0.95 3.08 -0.28 4.42 2.96 -1.26 -1.91 118.68 126.64 2kjp s LEU 53 Ca 0.06 -0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 2kjp s LEU 53 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2kjp s LEU 53 CO 0.03 0.08 0.58 -0.75 -1.32 0.00 0.00 176.35 174.98 2kjp s LYS 54 N 0.87 3.98 0.18 1.98 2.47 -1.15 -4.90 119.74 123.17 2kjp s LYS 54 Ca -0.01 0.33 0.11 0.00 -1.56 0.00 0.00 55.97 54.84 2kjp s LYS 54 Cb -0.15 -3.69 -0.04 0.00 -1.46 0.00 0.00 37.83 32.49 2kjp s LYS 54 CO 0.01 -0.47 -0.21 0.42 0.16 0.00 0.00 175.35 175.26 2kjp s ILE 55 N 2.48 2.53 -0.09 5.43 -1.09 -1.26 -2.96 121.20 126.23 2kjp s ILE 55 Ca 0.24 -1.92 0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2kjp s ILE 55 Cb -0.15 -2.21 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 2kjp s ILE 55 CO 0.10 -0.09 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.87 2kjp s GLU 56 N -2.63 2.18 -0.04 2.79 2.12 -1.25 -4.09 118.70 117.78 2kjp s GLU 56 Ca 0.21 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 2kjp s GLU 56 Cb -0.08 -1.79 0.03 0.00 0.26 0.00 0.00 34.13 32.55 2kjp s GLU 56 CO 0.11 0.02 0.02 1.03 -0.54 0.00 0.00 175.26 175.89 2kjp s ARG 57 N 0.75 0.22 -1.57 4.30 0.52 0.14 -4.67 118.95 118.64 2kjp s ARG 57 Ca -0.12 0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.13 2kjp s ARG 57 Cb -0.16 -0.59 0.12 0.00 0.52 0.00 0.00 34.95 34.84 2kjp s ARG 57 CO 0.02 -0.24 0.80 -1.91 0.02 0.00 0.00 175.30 173.99 2kjp n GLU 58 N 4.78 -3.99 -0.99 3.54 2.13 -1.26 0.94 120.64 125.78 2kjp n GLU 58 Ca -0.14 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2kjp n GLU 58 Cb 0.50 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 26.96 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kjp n GLU 59 N -4.36 -0.86 -4.29 5.31 0.00 -1.26 -5.00 120.64 110.18 2kjp n GLU 59 Ca 0.05 0.21 -0.24 0.00 0.00 0.00 0.00 57.16 57.18 2kjp n GLU 59 Cb 0.51 -3.87 -0.08 0.00 0.00 0.00 0.00 31.44 28.00 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kjp s LYS 60 N -0.87 2.22 0.12 5.31 1.02 0.27 -5.13 119.74 122.67 2kjp s LYS 60 Ca 0.00 -1.35 0.05 0.00 0.02 0.00 0.00 55.97 54.69 2kjp s LYS 60 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2kjp s LYS 60 CO 0.00 0.39 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.49 2kjp s GLU 61 N -3.35 0.98 0.05 1.68 2.02 -1.26 0.29 118.70 119.11 2kjp s GLU 61 Ca 0.29 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 54.05 2kjp s GLU 61 Cb -0.07 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 2kjp s GLU 61 CO 0.18 0.13 -0.08 0.15 0.02 0.00 0.00 175.26 175.66 2kjp s LYS 62 N -2.91 0.60 -0.09 1.61 1.02 -1.26 -5.03 119.74 113.68 2kjp s LYS 62 Ca 0.09 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2kjp s LYS 62 Cb -0.03 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.00 2kjp s LYS 62 CO 0.02 0.04 -0.07 1.03 -0.92 0.00 0.00 175.35 175.45 2kjp s ARG 63 N -2.01 1.39 -0.03 1.68 0.52 -1.26 -4.56 118.95 114.67 2kjp s ARG 63 Ca -0.05 -0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2kjp s ARG 63 Cb -0.07 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.00 2kjp s ARG 63 CO -0.00 -0.20 0.07 0.08 0.02 0.00 0.00 175.30 175.27 2kjp s VAL 64 N 1.46 -0.01 -0.34 3.52 1.01 -1.26 -5.13 120.40 119.64 2kjp s VAL 64 Ca -0.00 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2kjp s VAL 64 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 2kjp s VAL 64 CO -0.05 0.02 0.40 0.28 0.00 0.00 0.00 175.10 175.75 2kjp s THR 65 N 0.30 5.13 0.14 3.92 -1.32 -1.26 -4.82 115.64 117.73 2kjp s THR 65 Ca -0.02 0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 2kjp s THR 65 Cb -0.03 -3.86 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 2kjp s THR 65 CO -0.01 -0.13 0.00 -0.76 -2.21 0.00 0.00 174.62 171.51 2kjp s LEU 66 N 2.12 2.13 -0.11 9.08 1.43 -1.26 -5.15 118.68 126.91 2kjp s LEU 66 Ca 0.14 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.00 2kjp s LEU 66 Cb -0.16 0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 2kjp s LEU 66 CO 0.12 -0.59 0.22 0.28 0.23 0.00 0.00 176.35 176.61 2kjp s THR 67 N -3.77 5.36 1.20 5.49 -1.32 -1.26 -4.35 115.64 116.99 2kjp s THR 67 Ca 0.20 0.40 -0.14 0.00 -1.21 0.00 0.00 61.69 60.95 2kjp s THR 67 Cb 0.06 -3.51 0.30 0.00 -1.51 0.00 0.00 72.50 67.84 2kjp s THR 67 CO 0.01 0.55 1.02 -0.76 -2.21 0.00 0.00 174.62 173.23 2kjp s LEU 68 N -0.64 0.58 0.27 9.08 1.43 -1.22 -4.86 118.68 123.31 2kjp s LEU 68 Ca 0.16 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.61 2kjp s LEU 68 Cb -0.13 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 2kjp s LEU 68 CO 0.05 -4.36 0.42 -0.54 0.23 0.00 0.00 176.35 172.16 2kjp s LYS 69 N -4.49 1.61 0.02 1.70 -0.14 -1.26 -3.92 119.74 113.25 2kjp s LYS 69 Ca 0.69 -1.46 0.03 0.00 -1.36 0.00 0.00 55.97 53.87 2kjp s LYS 69 Cb -0.24 0.43 -0.01 0.00 -1.68 0.00 0.00 37.83 36.32 2kjp s LYS 69 CO 0.64 -0.65 -0.10 1.14 -0.76 0.00 0.00 175.35 175.62 2kjp s GLN 70 N -3.74 0.72 0.49 1.68 -2.07 -1.26 -4.15 119.66 111.33 2kjp s GLN 70 Ca 0.27 -0.53 -0.24 0.00 -1.82 0.00 0.00 55.36 53.04 2kjp s GLN 70 Cb 0.01 -0.67 -0.07 0.00 -1.09 0.00 0.00 33.01 31.19 2kjp s GLN 70 CO 0.13 0.17 1.38 1.19 -1.32 0.00 0.00 175.29 176.84 2kjp n PHE 71 N 2.28 2.46 -0.04 9.60 3.72 -1.26 -4.95 117.46 129.27 2kjp n PHE 71 Ca -0.17 0.44 -0.14 0.00 -0.05 0.00 0.00 57.45 57.53 2kjp n PHE 71 Cb 0.56 -2.41 -0.09 0.00 -0.94 0.00 0.00 39.48 36.60 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 1.90 0.32 0.00 -1.08 0.13 -1.95 -3.19 132.00 128.13 2kjp h PRO 72 Ca -0.50 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2kjp h PRO 72 Cb 1.29 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kjp h PRO 72 CO 0.59 0.86 0.00 0.22 -0.23 0.00 0.00 178.00 179.44 2kjp h ASP 73 N -0.17 0.00 -2.36 1.44 3.58 -1.99 -3.32 116.42 113.61 2kjp h ASP 73 Ca -0.01 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.85 2kjp h ASP 73 Cb 0.89 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.54 2kjp h ASP 73 CO 0.06 0.00 -0.87 -0.62 -2.88 0.00 0.00 179.24 174.92 2kjp n GLU 74 N -2.84 1.08 0.00 0.28 1.02 -1.21 -4.94 120.64 114.02 2kjp n GLU 74 Ca -0.00 -3.70 0.13 0.00 -0.02 0.00 0.00 57.16 53.57 2kjp n GLU 74 Cb 0.22 -1.75 0.62 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.88 0.20 0.01 3.49 -0.04 -1.21 -2.78 135.00 136.54 2kjp n PRO 75 Ca 0.25 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 2kjp n PRO 75 Cb 0.46 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 2kjp n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kjp n ASP 76 N -1.39 0.57 -3.89 3.54 2.03 -1.26 -4.92 116.55 111.23 2kjp n ASP 76 Ca 0.10 -0.30 -0.10 0.00 0.52 0.00 0.00 54.79 55.00 2kjp n ASP 76 Cb 0.26 0.36 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2kjp s ARG 77 N -3.02 0.51 0.09 -0.67 3.52 -1.12 -5.18 118.95 113.09 2kjp s ARG 77 Ca 0.10 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.15 2kjp s ARG 77 Cb 0.17 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.74 2kjp s ARG 77 CO 0.73 -0.12 0.07 0.00 -0.81 0.00 0.00 175.30 175.16 2kjp s ALA 78 N -1.77 0.42 0.00 6.12 0.00 -1.26 -4.34 121.76 120.92 2kjp s ALA 78 Ca -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2kjp s ALA 78 Cb -0.06 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2kjp s ALA 78 CO -0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2kjp n GLY 79 N -0.01 1.37 3.77 0.00 0.00 -1.26 -4.81 105.19 104.24 2kjp n GLY 79 Ca -0.11 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 2.66 0.00 -0.61 -4.36 -1.26 -5.02 121.20 112.61 2kjp s ILE 80 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 60.65 60.95 2kjp s ILE 80 Cb 0.00 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.40 2kjp s ILE 80 CO 0.00 0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2kjp n GLY 81 N 0.63 0.62 3.54 6.27 0.00 -1.26 -4.73 105.19 110.26 2kjp n GLY 81 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 4.08 0.74 1.61 1.01 -1.26 -4.98 120.40 121.59 2kjp s VAL 82 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 2kjp s VAL 82 Cb 0.00 -4.72 0.04 0.00 0.00 0.00 0.00 36.38 31.70 2kjp s VAL 82 CO 0.00 -1.43 1.11 -0.94 0.00 0.00 0.00 175.10 173.84 2kjp s SER 83 N 3.23 4.62 -0.32 3.32 1.04 -1.26 -4.40 113.70 119.92 2kjp s SER 83 Ca 0.35 1.94 -0.10 0.00 0.48 0.00 0.00 55.95 58.61 2kjp s SER 83 Cb -0.10 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.49 2kjp s SER 83 CO 0.19 -1.96 0.28 0.18 0.98 0.00 0.00 173.24 172.91 2kjp n LEU 84 N -3.11 -6.68 0.22 2.42 4.77 -1.26 -4.86 117.00 108.51 2kjp n LEU 84 Ca 0.10 0.79 0.06 0.00 -0.03 0.00 0.00 56.01 56.93 2kjp n LEU 84 Cb 0.52 -2.90 0.51 0.00 -2.33 0.00 0.00 43.42 39.23 2kjp n LEU 84 CO 0.51 -2.28 0.89 -0.33 -1.33 0.00 0.00 177.39 174.84 2kjp h GLU 85 N 2.67 0.00 -3.04 3.23 3.07 -2.04 -3.48 114.58 114.99 2kjp h GLU 85 Ca -0.07 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 59.10 2kjp h GLU 85 Cb 0.66 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.44 2kjp h GLU 85 CO 0.13 0.20 -0.79 1.58 -1.40 0.00 0.00 179.01 178.73 2kjp n HIS 86 N -4.23 -3.20 -3.55 4.33 -0.00 -1.26 -5.04 115.22 102.27 2kjp n HIS 86 Ca -0.02 1.68 -0.11 0.00 0.46 0.00 0.00 57.72 59.73 2kjp n HIS 86 Cb 0.26 -2.91 -0.04 0.00 -0.12 0.00 0.00 29.99 27.18 2kjp n HIS 86 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kjp s HIS 87 N -3.31 -0.39 -0.83 1.57 2.46 -1.26 -5.04 115.29 108.48 2kjp s HIS 87 Ca 0.00 0.55 -0.14 0.00 0.47 0.00 0.00 55.06 55.94 2kjp s HIS 87 Cb 0.00 0.47 -0.11 0.00 -0.13 0.00 0.00 32.58 32.82 2kjp s HIS 87 CO 0.00 -0.44 1.99 1.58 -2.47 0.00 0.00 174.74 175.41 2kjp n HIS 88 N 0.44 1.64 -0.13 3.88 -0.00 -1.26 -4.59 115.22 115.20 2kjp n HIS 88 Ca -0.11 -1.87 -0.10 0.00 0.46 0.00 0.00 57.72 56.11 2kjp n HIS 88 Cb 0.59 -1.68 -0.01 0.00 -0.12 0.00 0.00 29.99 28.76 2kjp n HIS 88 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kjp h HIS 89 N 7.19 0.62 0.00 1.57 6.17 -2.04 -3.44 115.15 125.21 2kjp h HIS 89 Ca 0.45 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.46 2kjp h HIS 89 Cb 0.44 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2kjp h HIS 89 CO 1.57 0.59 0.00 1.58 0.71 0.00 0.00 177.93 182.38 2kjp n HIS 90 N -4.61 -0.06 -0.39 5.26 -0.00 -1.26 -5.35 115.22 108.81 2kjp n HIS 90 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2kjp n HIS 90 Cb 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 2kjp n HIS 90 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92