#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 1.95 0.10 8.20 0.00 -1.26 -3.16 105.19 111.01 2kjp n GLY 2 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.98 -3.96 -0.61 2.04 -1.95 -3.43 117.51 110.58 2kjp h ILE 3 Ca 0.00 -0.32 -0.52 0.00 1.00 0.00 0.00 64.86 65.03 2kjp h ILE 3 Cb 0.00 1.18 0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2kjp h ILE 3 CO 0.00 0.08 0.55 -0.72 0.00 0.00 0.00 178.15 178.05 2kjp s TYR 4 N -5.58 2.90 0.93 1.37 1.13 -1.19 -4.82 117.35 112.10 2kjp s TYR 4 Ca -0.14 1.49 -0.12 0.00 -1.41 0.00 0.00 57.07 56.89 2kjp s TYR 4 Cb 0.04 -3.51 0.15 0.00 -1.10 0.00 0.00 41.96 37.54 2kjp s TYR 4 CO 0.65 -1.72 1.10 0.00 -2.51 0.00 0.00 175.55 173.07 2kjp s ALA 5 N -1.37 1.43 0.00 9.51 0.00 -1.26 -3.88 121.76 126.19 2kjp s ALA 5 Ca 0.59 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2kjp s ALA 5 Cb -0.34 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2kjp s ALA 5 CO 0.42 -2.47 0.00 0.45 0.00 0.00 0.00 175.76 174.16 2kjp n SER 6 N -3.93 0.00 -3.59 0.00 2.88 -1.26 -0.21 113.62 107.51 2kjp n SER 6 Ca 0.06 -0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 56.86 2kjp n SER 6 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kjp s SER 7 N 0.00 -0.42 0.14 -3.46 0.15 -1.26 -4.84 113.70 104.01 2kjp s SER 7 Ca 0.00 0.57 -0.16 0.00 0.70 0.00 0.00 55.95 57.06 2kjp s SER 7 Cb 0.00 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2kjp s SER 7 CO 0.00 -0.31 0.41 0.68 1.20 0.00 0.00 173.24 175.22 2kjp s VAL 8 N -0.74 0.06 0.02 4.45 -7.23 -1.26 -4.90 120.40 110.80 2kjp s VAL 8 Ca -0.01 -0.69 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2kjp s VAL 8 Cb -0.02 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2kjp s VAL 8 CO 0.00 -0.28 -0.23 0.54 -0.31 0.00 0.00 175.10 174.82 2kjp s VAL 9 N -3.83 2.36 0.00 1.32 0.11 -1.26 -5.14 120.40 113.96 2kjp s VAL 9 Ca 0.05 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 2kjp s VAL 9 Cb 0.01 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 32.94 2kjp s VAL 9 CO -0.09 0.41 0.00 -1.84 -3.33 0.00 0.00 175.10 170.25 2kjp n GLU 10 N 1.88 1.63 -3.00 1.54 0.28 -1.26 -4.53 120.64 117.18 2kjp n GLU 10 Ca -0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.61 2kjp n GLU 10 Cb 0.52 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.42 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kjp n ASN 11 N 0.00 -6.17 -4.20 -1.84 2.85 -1.26 -5.00 115.26 99.64 2kjp n ASN 11 Ca 0.00 -0.28 -0.14 0.00 -0.11 0.00 0.00 54.58 54.05 2kjp n ASN 11 Cb 0.00 -4.99 -0.11 0.00 1.24 0.00 0.00 39.78 35.93 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 -5.68 0.90 0.52 1.20 -1.94 -1.26 -4.88 119.30 108.16 2kjp s MET 12 Ca 0.29 -1.25 0.23 0.00 -1.71 0.00 0.00 55.69 53.26 2kjp s MET 12 Cb -0.13 -0.54 1.34 0.00 2.01 0.00 0.00 34.83 37.51 2kjp s MET 12 CO 0.36 0.07 2.00 -1.35 -0.01 0.00 0.00 175.02 176.10 2kjp h PRO 13 N 3.31 0.06 -1.58 2.03 0.11 -1.98 -3.44 132.00 130.51 2kjp h PRO 13 Ca -0.37 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 2kjp h PRO 13 Cb 1.19 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2kjp h PRO 13 CO 0.57 0.04 -0.06 0.00 -0.21 0.00 0.00 178.00 178.33 2kjp n ALA 14 N -2.62 -0.05 -1.96 -0.75 0.00 -1.26 -4.82 120.51 109.05 2kjp n ALA 14 Ca 0.09 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2kjp n ALA 14 Cb 0.56 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.08 4.20 0.00 0.00 2.20 -1.26 -3.60 119.74 119.20 2kjp s LYS 15 Ca 0.00 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2kjp s LYS 15 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2kjp s LYS 15 CO 0.00 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2kjp n GLY 16 N 3.97 -0.20 2.60 5.54 0.00 -1.26 -4.79 105.19 111.04 2kjp n GLY 16 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.05 0.15 0.06 1.61 -2.85 -1.24 -4.87 119.74 110.56 2kjp s LYS 17 Ca 0.00 -0.27 0.06 0.00 -1.00 0.00 0.00 55.97 54.76 2kjp s LYS 17 Cb 0.00 -1.62 -0.04 0.00 -2.06 0.00 0.00 37.83 34.11 2kjp s LYS 17 CO 0.00 -0.79 -0.13 -1.50 0.10 0.00 0.00 175.35 173.03 2kjp s ILE 18 N 2.10 3.18 -0.23 3.79 1.10 -1.26 -4.65 121.20 125.22 2kjp s ILE 18 Ca 0.04 -1.15 -0.03 0.00 -0.51 0.00 0.00 60.65 59.01 2kjp s ILE 18 Cb -0.16 -2.41 0.12 0.00 0.15 0.00 0.00 42.46 40.16 2kjp s ILE 18 CO -0.19 0.26 0.30 -1.61 -2.11 0.00 0.00 174.94 171.59 2kjp s GLU 19 N -1.75 0.28 0.00 3.50 2.02 -1.26 -4.96 118.70 116.54 2kjp s GLU 19 Ca 0.18 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.48 2kjp s GLU 19 Cb -0.11 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.31 2kjp s GLU 19 CO 0.09 -0.70 0.00 1.55 0.02 0.00 0.00 175.26 176.22 2kjp n VAL 20 N 5.34 0.00 0.00 2.63 3.14 -1.26 -4.62 118.33 123.56 2kjp n VAL 20 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2kjp n VAL 20 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kjp n GLY 21 N 0.00 2.79 3.68 7.55 0.00 0.71 -4.83 105.19 115.09 2kjp n GLY 21 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.10 6.95 0.46 1.61 1.01 -1.26 -4.62 116.67 120.72 2kjp s ASP 22 Ca 0.00 1.94 -0.21 0.00 0.71 0.00 0.00 52.55 54.99 2kjp s ASP 22 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 2kjp s ASP 22 CO 0.00 -0.66 1.01 -0.75 0.21 0.00 0.00 175.17 174.98 2kjp s LYS 23 N 2.45 3.95 -0.20 8.23 2.20 -1.26 -3.98 119.74 131.13 2kjp s LYS 23 Ca 0.59 1.29 -0.07 0.00 -0.36 0.00 0.00 55.97 57.42 2kjp s LYS 23 Cb -0.27 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2kjp s LYS 23 CO 0.23 -0.29 0.07 0.96 -0.36 0.00 0.00 175.35 175.95 2kjp s ILE 24 N -2.03 4.70 0.04 5.43 -0.00 -1.26 -2.78 121.20 125.30 2kjp s ILE 24 Ca 0.65 -0.06 -0.26 0.00 -0.00 0.00 0.00 60.65 60.98 2kjp s ILE 24 Cb -0.14 -3.13 -0.17 0.00 -0.00 0.00 0.00 42.46 39.01 2kjp s ILE 24 CO 0.18 0.43 1.44 0.40 -0.00 0.00 0.00 174.94 177.39 2kjp h ILE 25 N 5.01 0.79 -1.71 8.37 2.04 -1.91 -3.48 117.51 126.62 2kjp h ILE 25 Ca -0.37 -0.40 0.26 0.00 1.00 0.00 0.00 64.86 65.35 2kjp h ILE 25 Cb 1.17 1.01 -0.14 0.00 -0.74 0.00 0.00 36.82 38.13 2kjp h ILE 25 CO 0.67 0.09 0.73 -0.55 0.00 0.00 0.00 178.15 179.08 2kjp s SER 26 N -5.05 -0.13 -0.02 1.72 0.15 -1.26 -4.80 113.70 104.30 2kjp s SER 26 Ca -0.15 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.39 2kjp s SER 26 Cb 0.03 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 2kjp s SER 26 CO 0.60 -0.42 -0.07 0.00 1.20 0.00 0.00 173.24 174.55 2kjp s ALA 27 N -2.65 0.71 -1.33 5.45 0.00 -1.10 -3.66 121.76 119.19 2kjp s ALA 27 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2kjp s ALA 27 Cb 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2kjp s ALA 27 CO -0.04 0.10 0.83 -0.25 0.00 0.00 0.00 175.76 176.40 2kjp n ASP 28 N 3.35 -2.22 -1.33 0.00 9.92 -1.13 -1.19 116.55 123.96 2kjp n ASP 28 Ca -0.18 -0.76 -0.06 0.00 -0.53 0.00 0.00 54.79 53.25 2kjp n ASP 28 Cb 0.54 -4.27 -0.02 0.00 -0.64 0.00 0.00 41.12 36.73 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kjp n GLY 29 N -1.55 0.46 3.30 0.44 0.00 -1.26 -4.89 105.19 101.70 2kjp n GLY 29 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.81 3.28 0.78 1.61 2.20 -0.33 -5.13 119.74 119.34 2kjp s LYS 30 Ca 0.00 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 2kjp s LYS 30 Cb 0.00 -2.61 0.07 0.00 -1.51 0.00 0.00 37.83 33.77 2kjp s LYS 30 CO 0.00 0.10 1.15 1.21 -0.36 0.00 0.00 175.35 177.45 2kjp s ASN 31 N 0.61 4.70 -0.18 1.43 3.84 -1.26 -2.70 114.94 121.39 2kjp s ASN 31 Ca -0.08 0.81 -0.04 0.00 0.21 0.00 0.00 52.86 53.75 2kjp s ASN 31 Cb -0.16 -1.37 0.08 0.00 -0.55 0.00 0.00 41.25 39.25 2kjp s ASN 31 CO 0.03 -1.77 0.22 -0.31 -2.79 0.00 0.00 177.10 172.48 2kjp s TYR 32 N -3.50 -0.29 0.17 0.43 2.02 -1.26 -4.97 117.35 109.95 2kjp s TYR 32 Ca 0.61 0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 57.60 2kjp s TYR 32 Cb -0.11 -0.30 0.04 0.00 -0.40 0.00 0.00 41.96 41.18 2kjp s TYR 32 CO 0.49 -0.53 1.55 0.37 -1.57 0.00 0.00 175.55 175.86 2kjp h GLN 33 N 8.31 0.94 -4.40 -0.62 4.15 -2.00 -3.45 115.11 118.04 2kjp h GLN 33 Ca -0.16 -0.42 -0.27 0.00 0.77 0.00 0.00 58.65 58.57 2kjp h GLN 33 Cb 1.14 -0.02 -0.23 0.00 0.21 0.00 0.00 27.48 28.58 2kjp h GLN 33 CO 0.24 1.08 -0.74 -1.12 -1.93 0.00 0.00 178.83 176.37 2kjp s SER 34 N -6.76 0.69 0.56 -0.69 0.01 -1.26 -5.03 113.70 101.23 2kjp s SER 34 Ca -0.11 -0.40 0.30 0.00 1.31 0.00 0.00 55.95 57.05 2kjp s SER 34 Cb 0.12 0.01 1.46 0.00 0.21 0.00 0.00 66.02 67.83 2kjp s SER 34 CO 0.87 -0.14 1.88 0.00 0.41 0.00 0.00 173.24 176.26 2kjp h ALA 35 N 4.98 2.56 -0.44 1.44 0.00 -1.90 -0.57 119.26 125.33 2kjp h ALA 35 Ca -0.33 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2kjp h ALA 35 Cb 1.20 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2kjp h ALA 35 CO 0.44 -0.95 0.16 1.49 0.00 0.00 0.00 179.25 180.38 2kjp h GLU 36 N 0.00 0.31 -0.21 0.00 4.57 -1.96 -1.06 114.58 116.24 2kjp h GLU 36 Ca 0.33 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2kjp h GLU 36 Cb 1.50 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 2kjp h GLU 36 CO -0.00 0.21 0.04 0.87 -1.18 0.00 0.00 179.01 178.94 2kjp h LYS 37 N 0.32 0.34 -0.46 1.92 6.56 -1.52 -1.41 116.57 122.33 2kjp h LYS 37 Ca 0.20 -0.09 0.09 0.00 -1.06 0.00 0.00 60.65 59.79 2kjp h LYS 37 Cb 0.19 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.74 2kjp h LYS 37 CO -0.21 0.48 0.01 1.25 -2.06 0.00 0.00 179.45 178.92 2kjp h LEU 38 N 0.14 -0.18 -0.50 2.94 5.85 -1.37 0.35 115.31 122.54 2kjp h LEU 38 Ca 0.06 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kjp h LEU 38 Cb 0.31 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2kjp h LEU 38 CO 0.00 -0.05 0.22 0.40 -0.34 0.00 0.00 178.44 178.67 2kjp h ILE 39 N 0.12 1.20 -0.59 4.05 2.04 -1.13 -1.97 117.51 121.24 2kjp h ILE 39 Ca 0.23 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2kjp h ILE 39 Cb 0.33 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2kjp h ILE 39 CO -0.37 0.24 0.39 0.44 0.00 0.00 0.00 178.15 178.84 2kjp h ASP 40 N 0.67 0.66 0.19 1.72 3.32 -0.05 0.30 116.42 123.24 2kjp h ASP 40 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2kjp h ASP 40 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kjp h ASP 40 CO -0.02 0.47 -0.09 0.22 -1.72 0.00 0.00 179.24 178.10 2kjp h TYR 41 N 0.78 -0.24 -0.55 4.55 3.20 -0.07 -2.91 116.97 121.73 2kjp h TYR 41 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2kjp h TYR 41 Cb -0.07 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2kjp h TYR 41 CO -0.04 -0.15 0.29 0.82 -1.64 0.00 0.00 178.16 177.45 2kjp h ILE 42 N -0.27 1.19 -3.91 1.81 2.04 -1.13 -3.46 117.51 113.78 2kjp h ILE 42 Ca -0.03 -0.50 -0.23 0.00 1.00 0.00 0.00 64.86 65.11 2kjp h ILE 42 Cb 0.20 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2kjp h ILE 42 CO 0.04 0.21 -0.29 -1.20 0.00 0.00 0.00 178.15 176.91 2kjp n SER 43 N -4.60 -3.70 -0.13 1.72 7.64 0.10 0.62 113.62 115.28 2kjp n SER 43 Ca 0.03 0.22 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 2kjp n SER 43 Cb 0.09 -3.15 -0.01 0.00 -1.01 0.00 0.00 64.21 60.13 2kjp n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kjp n SER 44 N -1.78 -4.94 -3.07 6.43 7.64 -1.26 -4.85 113.62 111.78 2kjp n SER 44 Ca -0.14 0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.66 2kjp n SER 44 Cb 0.60 -2.59 -0.01 0.00 -1.01 0.00 0.00 64.21 61.20 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kjp n LYS 45 N -0.64 1.24 -2.96 1.43 5.02 0.20 -4.68 118.16 117.77 2kjp n LYS 45 Ca -0.02 -1.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.02 2kjp n LYS 45 Cb 0.35 -2.25 0.07 0.00 -0.02 0.00 0.00 35.03 33.18 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kjp s LYS 46 N 3.97 2.21 0.18 1.97 1.02 -1.26 -4.75 119.74 123.07 2kjp s LYS 46 Ca 0.24 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2kjp s LYS 46 Cb 0.06 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2kjp s LYS 46 CO -0.02 -0.95 0.00 0.00 -0.92 0.00 0.00 175.35 173.46 2kjp n ALA 47 N -2.34 -2.08 0.00 5.17 0.00 -1.21 -4.66 120.51 115.39 2kjp n ALA 47 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2kjp n ALA 47 Cb 0.61 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.82 1.98 3.76 0.00 0.00 -1.26 -4.97 105.19 106.53 2kjp n GLY 48 Ca 0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.20 5.59 0.64 1.61 2.15 -1.26 -4.75 116.67 119.45 2kjp s ASP 49 Ca 0.00 2.45 0.04 0.00 0.43 0.00 0.00 52.55 55.46 2kjp s ASP 49 Cb 0.00 -2.61 0.10 0.00 -0.30 0.00 0.00 42.92 40.11 2kjp s ASP 49 CO 0.00 -1.32 0.88 -0.54 -0.17 0.00 0.00 175.17 174.02 2kjp s LYS 50 N -2.99 2.03 0.07 4.34 1.02 -1.26 -2.82 119.74 120.12 2kjp s LYS 50 Ca 0.71 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 2kjp s LYS 50 Cb -0.32 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.57 2kjp s LYS 50 CO 0.37 -1.12 0.59 0.54 -0.92 0.00 0.00 175.35 174.81 2kjp s VAL 51 N -2.90 0.01 -0.32 3.17 0.11 -1.21 -4.87 120.40 114.39 2kjp s VAL 51 Ca 0.63 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.57 2kjp s VAL 51 Cb -0.06 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.85 2kjp s VAL 51 CO 0.41 -0.05 0.05 0.28 -3.33 0.00 0.00 175.10 172.46 2kjp s THR 52 N -2.74 3.11 -0.12 5.04 -1.32 -1.26 -3.55 115.64 114.80 2kjp s THR 52 Ca -0.04 -1.50 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 2kjp s THR 52 Cb -0.01 -2.86 0.01 0.00 -1.51 0.00 0.00 72.50 68.14 2kjp s THR 52 CO -0.04 -0.23 -0.20 -0.22 -2.21 0.00 0.00 174.62 171.72 2kjp s LEU 53 N 1.24 1.97 0.10 9.08 2.96 -1.23 -2.83 118.68 129.97 2kjp s LEU 53 Ca -0.02 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2kjp s LEU 53 Cb -0.20 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2kjp s LEU 53 CO -0.01 0.08 0.09 -0.54 -1.32 0.00 0.00 176.35 174.65 2kjp s LYS 54 N 0.74 2.89 0.13 1.98 1.02 -1.24 -4.10 119.74 121.16 2kjp s LYS 54 Ca -0.10 -0.73 0.09 0.00 0.02 0.00 0.00 55.97 55.24 2kjp s LYS 54 Cb -0.16 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 2kjp s LYS 54 CO 0.01 0.55 -0.21 0.42 -0.92 0.00 0.00 175.35 175.20 2kjp s ILE 55 N -1.48 1.81 -0.09 2.17 -1.09 -1.22 -3.59 121.20 117.72 2kjp s ILE 55 Ca 0.30 -1.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.07 2kjp s ILE 55 Cb -0.12 -1.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.06 2kjp s ILE 55 CO 0.22 -0.12 -0.21 -0.70 -1.23 0.00 0.00 174.94 172.90 2kjp s GLU 56 N -2.21 2.89 -0.30 2.79 2.12 -1.12 -2.19 118.70 120.69 2kjp s GLU 56 Ca 0.10 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 2kjp s GLU 56 Cb -0.09 -2.33 0.10 0.00 0.26 0.00 0.00 34.13 32.08 2kjp s GLU 56 CO 0.05 0.30 0.13 1.03 -0.54 0.00 0.00 175.26 176.23 2kjp s ARG 57 N 0.07 0.36 -1.18 4.30 0.52 -0.77 -4.44 118.95 117.80 2kjp s ARG 57 Ca -0.09 -0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 2kjp s ARG 57 Cb -0.15 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 2kjp s ARG 57 CO 0.06 -1.02 0.76 0.39 0.02 0.00 0.00 175.30 175.50 2kjp n GLU 58 N 5.08 -2.12 -2.72 3.54 1.02 -1.26 -2.23 120.64 121.95 2kjp n GLU 58 Ca -0.04 0.53 -0.14 0.00 -0.02 0.00 0.00 57.16 57.48 2kjp n GLU 58 Cb 0.42 -4.53 0.02 0.00 -0.02 0.00 0.00 31.44 27.33 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kjp n GLU 59 N -4.11 -3.02 -3.75 3.49 2.13 -1.26 -5.01 120.64 109.10 2kjp n GLU 59 Ca -0.14 0.58 -0.29 0.00 0.66 0.00 0.00 57.16 57.96 2kjp n GLU 59 Cb 0.62 -4.74 -0.15 0.00 0.27 0.00 0.00 31.44 27.43 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 -5.24 0.79 0.35 5.31 1.02 -0.95 -5.13 119.74 115.90 2kjp s LYS 60 Ca 0.18 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 55.13 2kjp s LYS 60 Cb -0.08 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 2kjp s LYS 60 CO 0.23 -0.84 0.81 -1.83 -0.92 0.00 0.00 175.35 172.79 2kjp s GLU 61 N 1.67 4.11 0.01 1.68 -1.05 -1.26 -1.85 118.70 122.01 2kjp s GLU 61 Ca 0.05 0.84 0.01 0.00 -0.15 0.00 0.00 54.97 55.72 2kjp s GLU 61 Cb -0.17 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.12 2kjp s GLU 61 CO -0.18 0.11 -0.04 0.15 0.95 0.00 0.00 175.26 176.25 2kjp s LYS 62 N -2.96 0.31 -0.16 -4.83 1.02 -0.93 -4.99 119.74 107.20 2kjp s LYS 62 Ca 0.56 -0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.23 2kjp s LYS 62 Cb -0.10 -0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 2kjp s LYS 62 CO 0.16 0.05 -0.06 0.50 -0.92 0.00 0.00 175.35 175.08 2kjp s ARG 63 N -0.52 3.56 -0.00 1.68 3.52 -1.26 -3.41 118.95 122.52 2kjp s ARG 63 Ca -0.03 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 54.85 2kjp s ARG 63 Cb -0.04 -2.87 0.02 0.00 -1.56 0.00 0.00 34.95 30.51 2kjp s ARG 63 CO -0.00 0.17 0.32 0.54 -0.81 0.00 0.00 175.30 175.52 2kjp s VAL 64 N 0.54 0.06 -0.13 7.11 0.11 -1.26 -5.09 120.40 121.74 2kjp s VAL 64 Ca -0.04 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2kjp s VAL 64 Cb -0.15 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2kjp s VAL 64 CO 0.03 -0.28 -0.12 0.28 -3.33 0.00 0.00 175.10 171.69 2kjp s THR 65 N -1.60 1.36 0.06 5.04 -1.32 -1.26 -3.57 115.64 114.35 2kjp s THR 65 Ca -0.12 -0.50 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 2kjp s THR 65 Cb -0.04 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.62 2kjp s THR 65 CO 0.03 0.42 -0.09 -0.76 -2.21 0.00 0.00 174.62 172.01 2kjp s LEU 66 N 1.55 2.30 0.23 9.08 2.01 -1.23 -5.07 118.68 127.55 2kjp s LEU 66 Ca 0.04 -0.62 -0.30 0.00 0.01 0.00 0.00 54.13 53.26 2kjp s LEU 66 Cb -0.13 -0.23 -0.09 0.00 0.01 0.00 0.00 46.19 45.76 2kjp s LEU 66 CO -0.09 -0.21 0.96 -0.89 1.01 0.00 0.00 176.35 177.13 2kjp s THR 67 N -1.65 4.03 0.50 5.49 2.01 -1.26 -3.35 115.64 121.41 2kjp s THR 67 Ca -0.05 2.01 -0.22 0.00 0.31 0.00 0.00 61.69 63.73 2kjp s THR 67 Cb -0.08 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 2kjp s THR 67 CO 0.00 0.46 1.27 -0.76 -0.69 0.00 0.00 174.62 174.91 2kjp s LEU 68 N -1.10 3.94 0.35 4.42 1.43 -1.13 -4.96 118.68 121.62 2kjp s LEU 68 Ca 0.42 2.56 0.05 0.00 -1.03 0.00 0.00 54.13 56.13 2kjp s LEU 68 Cb -0.27 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 2kjp s LEU 68 CO 0.33 -1.25 0.04 -0.75 0.23 0.00 0.00 176.35 174.94 2kjp s LYS 69 N -2.78 1.73 0.06 1.70 2.47 -1.26 -3.34 119.74 118.31 2kjp s LYS 69 Ca 0.67 -1.96 0.05 0.00 -1.56 0.00 0.00 55.97 53.18 2kjp s LYS 69 Cb -0.35 -1.10 -0.03 0.00 -1.46 0.00 0.00 37.83 34.90 2kjp s LYS 69 CO 0.42 -0.13 -0.15 1.14 0.16 0.00 0.00 175.35 176.79 2kjp s GLN 70 N -3.83 0.91 0.55 4.03 -2.07 -1.26 -3.99 119.66 114.00 2kjp s GLN 70 Ca 0.36 -0.87 -0.20 0.00 -1.82 0.00 0.00 55.36 52.83 2kjp s GLN 70 Cb 0.09 -0.94 -0.07 0.00 -1.09 0.00 0.00 33.01 31.00 2kjp s GLN 70 CO 0.16 0.22 0.89 1.19 -1.32 0.00 0.00 175.29 176.43 2kjp n PHE 71 N 1.59 0.61 0.00 9.60 3.72 -1.26 -4.95 117.46 126.77 2kjp n PHE 71 Ca -0.19 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 2kjp n PHE 71 Cb 0.54 -2.13 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 2kjp n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kjp n PRO 72 N -0.53 0.00 0.00 -1.08 -0.04 -1.26 -3.44 135.00 128.65 2kjp n PRO 72 Ca 0.12 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2kjp n PRO 72 Cb 0.45 -1.09 0.18 0.00 -0.04 0.00 0.00 33.50 33.00 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 73 N -1.35 0.00 -3.17 3.54 8.00 -1.26 -3.58 116.55 118.72 2kjp n ASP 73 Ca 0.00 -0.83 -0.22 0.00 0.71 0.00 0.00 54.79 54.45 2kjp n ASP 73 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.68 0.78 0.00 -1.24 1.02 -1.24 -4.94 120.64 114.33 2kjp n GLU 74 Ca 0.04 -3.21 0.13 0.00 -0.02 0.00 0.00 57.16 54.11 2kjp n GLU 74 Cb 0.02 -1.35 0.58 0.00 -0.02 0.00 0.00 31.44 30.68 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 1.11 0.10 -0.01 3.49 -0.04 -1.22 -2.84 135.00 135.58 2kjp n PRO 75 Ca 0.22 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2kjp n PRO 75 Cb 0.57 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.44 1.86 -3.99 3.54 2.03 -1.26 -4.88 116.55 112.40 2kjp n ASP 76 Ca 0.08 -1.63 -0.12 0.00 0.52 0.00 0.00 54.79 53.63 2kjp n ASP 76 Cb 0.28 -0.02 -0.12 0.00 -0.72 0.00 0.00 41.12 40.54 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kjp s ARG 77 N -1.96 0.38 -0.02 -0.67 0.52 -1.13 -5.16 118.95 110.90 2kjp s ARG 77 Ca 0.35 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2kjp s ARG 77 Cb 0.20 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2kjp s ARG 77 CO 0.32 0.03 0.07 0.00 0.02 0.00 0.00 175.30 175.73 2kjp s ALA 78 N -0.99 -0.16 0.00 2.13 0.00 -1.26 -4.20 121.76 117.28 2kjp s ALA 78 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2kjp s ALA 78 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2kjp s ALA 78 CO -0.00 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2kjp n GLY 79 N 2.64 -1.69 0.24 0.00 0.00 -1.26 -4.51 105.19 100.60 2kjp n GLY 79 Ca -0.15 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 2kjp n GLY 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kjp h ILE 80 N 0.00 1.29 -2.77 -0.61 6.09 -2.01 -3.49 117.51 116.01 2kjp h ILE 80 Ca 0.00 -1.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 2kjp h ILE 80 Cb 0.00 1.45 0.00 0.00 0.47 0.00 0.00 36.82 38.74 2kjp h ILE 80 CO 0.00 0.48 -0.63 0.61 -3.07 0.00 0.00 178.15 175.54 2kjp n GLY 81 N -0.09 -4.52 3.57 8.18 0.00 -1.26 -4.90 105.19 106.17 2kjp n GLY 81 Ca -0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.46 0.00 -0.28 1.61 0.11 -1.26 -4.77 120.40 114.35 2kjp s VAL 82 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2kjp s VAL 82 Cb 0.00 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 2kjp s VAL 82 CO 0.00 0.00 0.69 -0.44 -3.33 0.00 0.00 175.10 172.02 2kjp s SER 83 N -0.98 -0.97 0.22 3.54 0.01 -1.26 -5.15 113.70 109.11 2kjp s SER 83 Ca -0.04 1.50 -0.30 0.00 1.31 0.00 0.00 55.95 58.43 2kjp s SER 83 Cb -0.01 1.56 -0.08 0.00 0.21 0.00 0.00 66.02 67.70 2kjp s SER 83 CO 0.04 -0.23 1.05 -0.76 0.41 0.00 0.00 173.24 173.74 2kjp s LEU 84 N 1.88 4.55 0.62 2.44 2.01 -1.26 -5.01 118.68 123.91 2kjp s LEU 84 Ca -0.09 2.09 -0.18 0.00 0.01 0.00 0.00 54.13 55.96 2kjp s LEU 84 Cb -0.06 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.51 2kjp s LEU 84 CO -0.20 -0.10 1.18 -1.61 1.01 0.00 0.00 176.35 176.64 2kjp s GLU 85 N -0.85 2.82 0.00 1.70 2.02 -1.26 -4.93 118.70 118.21 2kjp s GLU 85 Ca 0.46 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.17 2kjp s GLU 85 Cb -0.29 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2kjp s GLU 85 CO 0.36 -1.30 0.36 1.58 0.02 0.00 0.00 175.26 176.28 2kjp n HIS 86 N -1.91 0.00 -2.83 1.61 -0.00 -1.26 -5.09 115.22 105.74 2kjp n HIS 86 Ca 0.13 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.29 2kjp n HIS 86 Cb 0.50 0.22 -0.01 0.00 -0.12 0.00 0.00 29.99 30.58 2kjp n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kjp n HIS 87 N 0.00 -2.81 -1.93 1.57 -0.00 -1.26 -4.87 115.22 105.92 2kjp n HIS 87 Ca 0.00 1.41 -0.41 0.00 0.46 0.00 0.00 57.72 59.18 2kjp n HIS 87 Cb 0.41 -3.00 -0.01 0.00 -0.12 0.00 0.00 29.99 27.28 2kjp n HIS 87 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjp s HIS 88 N -1.06 2.76 0.21 1.57 3.76 -1.26 -4.91 115.29 116.37 2kjp s HIS 88 Ca -0.07 1.28 -0.10 0.00 -0.15 0.00 0.00 55.06 56.02 2kjp s HIS 88 Cb 0.00 -3.87 0.17 0.00 1.11 0.00 0.00 32.58 29.99 2kjp s HIS 88 CO 0.53 -2.52 1.89 0.45 -0.85 0.00 0.00 174.74 174.24 2kjp h HIS 89 N 3.09 0.99 -2.16 1.40 3.86 -2.08 -3.45 115.15 116.80 2kjp h HIS 89 Ca -0.50 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.75 2kjp h HIS 89 Cb 1.24 -0.33 -0.18 0.00 1.06 0.00 0.00 27.41 29.19 2kjp h HIS 89 CO 0.54 0.62 0.35 -3.38 0.86 0.00 0.00 177.93 176.93 2kjp s HIS 90 N -6.13 -0.49 -2.00 2.45 -3.43 -1.26 -5.32 115.29 99.11 2kjp s HIS 90 Ca -0.13 0.63 0.04 0.00 -0.80 0.00 0.00 55.06 54.81 2kjp s HIS 90 Cb 0.15 0.48 0.26 0.00 -1.43 0.00 0.00 32.58 32.04 2kjp s HIS 90 CO 0.78 -0.58 0.73 1.58 -2.00 0.00 0.00 174.74 175.26