#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 2.37 0.00 8.20 0.00 -1.26 -1.52 105.19 112.97 2kjp n GLY 2 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.64 2kjp n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 3 N 0.00 0.00 -4.96 -0.61 -5.35 -1.26 -4.65 119.36 102.52 2kjp n ILE 3 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 2kjp n ILE 3 Cb 0.00 -0.65 -0.14 0.00 -1.74 0.00 0.00 39.64 37.11 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2kjp s TYR 4 N -2.00 2.65 -0.44 4.28 2.02 -0.58 -3.68 117.35 119.60 2kjp s TYR 4 Ca 0.27 -0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.41 2kjp s TYR 4 Cb 0.12 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2kjp s TYR 4 CO 0.21 0.01 0.51 0.00 -1.57 0.00 0.00 175.55 174.71 2kjp s ALA 5 N -0.39 3.41 -0.01 3.71 0.00 -1.26 -4.42 121.76 122.80 2kjp s ALA 5 Ca 0.04 -1.50 0.10 0.00 0.00 0.00 0.00 51.96 50.60 2kjp s ALA 5 Cb -0.12 -3.16 -0.23 0.00 0.00 0.00 0.00 23.12 19.61 2kjp s ALA 5 CO 0.02 -1.70 0.79 0.77 0.00 0.00 0.00 175.76 175.64 2kjp h SER 6 N 8.80 0.04 -5.01 0.00 0.02 -1.87 -3.16 113.55 112.37 2kjp h SER 6 Ca -0.26 -0.07 0.13 0.00 -0.84 0.00 0.00 61.79 60.74 2kjp h SER 6 Cb 1.10 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.52 2kjp h SER 6 CO 0.85 1.06 0.45 -0.94 -1.14 0.00 0.00 176.83 177.11 2kjp s SER 7 N -6.31 -0.29 0.07 3.07 1.04 -1.26 -4.96 113.70 105.06 2kjp s SER 7 Ca -0.04 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 2kjp s SER 7 Cb 0.08 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2kjp s SER 7 CO 0.82 -0.82 0.41 0.68 0.98 0.00 0.00 173.24 175.31 2kjp s VAL 8 N -3.29 0.06 -0.00 5.02 -7.23 -1.26 -4.39 120.40 109.31 2kjp s VAL 8 Ca 0.08 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.80 2kjp s VAL 8 Cb -0.01 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2kjp s VAL 8 CO -0.03 -0.28 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.65 2kjp s VAL 9 N -2.94 3.11 0.00 1.32 1.01 -1.26 -5.03 120.40 116.62 2kjp s VAL 9 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2kjp s VAL 9 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2kjp s VAL 9 CO -0.06 0.45 0.00 -1.84 0.00 0.00 0.00 175.10 173.65 2kjp n GLU 10 N 1.83 1.66 -2.81 2.72 0.28 -1.26 -4.41 120.64 118.64 2kjp n GLU 10 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.64 2kjp n GLU 10 Cb 0.52 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.40 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 -4.98 -4.45 -1.84 5.15 -1.26 -4.98 115.26 102.89 2kjp n ASN 11 Ca 0.00 -0.13 -0.23 0.00 -0.60 0.00 0.00 54.58 53.63 2kjp n ASN 11 Cb 0.00 -4.12 -0.10 0.00 -0.53 0.00 0.00 39.78 35.03 2kjp n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kjp s MET 12 N -5.46 1.61 0.57 1.20 0.23 -1.26 -4.96 119.30 111.23 2kjp s MET 12 Ca 0.18 -1.79 0.30 0.00 -1.03 0.00 0.00 55.69 53.35 2kjp s MET 12 Cb -0.09 -1.42 1.70 0.00 -1.53 0.00 0.00 34.83 33.49 2kjp s MET 12 CO 0.22 0.15 2.18 -1.35 -2.03 0.00 0.00 175.02 174.19 2kjp h PRO 13 N 2.25 0.00 -2.83 3.16 0.11 -1.93 -3.45 132.00 129.31 2kjp h PRO 13 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kjp h PRO 13 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kjp h PRO 13 CO 0.66 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2kjp n ALA 14 N -2.27 -0.28 -1.86 -0.75 0.00 -1.26 -4.80 120.51 109.28 2kjp n ALA 14 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2kjp n ALA 14 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.83 4.18 -0.33 0.00 2.20 -1.26 -3.59 119.74 118.11 2kjp s LYS 15 Ca 0.00 2.41 -0.04 0.00 -0.36 0.00 0.00 55.97 57.98 2kjp s LYS 15 Cb 0.00 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2kjp s LYS 15 CO 0.00 -0.77 0.09 0.41 -0.36 0.00 0.00 175.35 174.72 2kjp n GLY 16 N 4.08 -0.06 2.89 5.54 0.00 -1.26 -4.82 105.19 111.56 2kjp n GLY 16 Ca 0.16 0.01 -0.14 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 -2.30 0.06 0.06 1.61 -2.85 -1.24 -4.83 119.74 110.26 2kjp s LYS 17 Ca 0.13 0.29 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 2kjp s LYS 17 Cb -0.08 -0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 2kjp s LYS 17 CO 0.18 -0.14 -0.07 -1.50 0.10 0.00 0.00 175.35 173.92 2kjp s ILE 18 N 0.96 0.56 0.00 3.79 1.10 -1.26 -4.78 121.20 121.58 2kjp s ILE 18 Ca -0.08 -1.37 0.00 0.00 -0.51 0.00 0.00 60.65 58.70 2kjp s ILE 18 Cb -0.10 -0.96 0.00 0.00 0.15 0.00 0.00 42.46 41.55 2kjp s ILE 18 CO -0.04 -0.56 0.00 -0.62 -2.11 0.00 0.00 174.94 171.61 2kjp n GLU 19 N 0.95 0.22 -1.67 3.50 1.02 -1.26 -4.91 120.64 118.49 2kjp n GLU 19 Ca -0.19 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.94 2kjp n GLU 19 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2kjp n GLU 19 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2kjp n VAL 20 N 0.00 -4.05 0.00 2.62 0.31 -1.26 -4.55 118.33 111.40 2kjp n VAL 20 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2kjp n VAL 20 Cb 0.00 -4.16 0.00 0.00 -0.91 0.00 0.00 33.84 28.77 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kjp n GLY 21 N 0.19 2.82 3.76 2.92 0.00 -1.19 -5.02 105.19 108.66 2kjp n GLY 21 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.45 2.20 0.06 1.61 1.01 -1.26 -4.92 116.67 115.82 2kjp s ASP 22 Ca 0.00 0.53 0.01 0.00 0.71 0.00 0.00 52.55 53.81 2kjp s ASP 22 Cb 0.00 -0.75 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 2kjp s ASP 22 CO 0.00 -3.32 -0.06 -0.54 0.21 0.00 0.00 175.17 171.46 2kjp s LYS 23 N -5.58 0.63 -0.22 8.23 1.02 -1.26 -4.00 119.74 118.55 2kjp s LYS 23 Ca 0.71 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.60 2kjp s LYS 23 Cb -0.08 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 2kjp s LYS 23 CO 0.54 -0.01 0.08 0.96 -0.92 0.00 0.00 175.35 176.00 2kjp s ILE 24 N -2.62 4.71 -0.04 2.17 -0.00 -1.24 -2.38 121.20 121.80 2kjp s ILE 24 Ca -0.00 -0.05 -0.17 0.00 -0.00 0.00 0.00 60.65 60.43 2kjp s ILE 24 Cb -0.02 -3.17 -0.10 0.00 -0.00 0.00 0.00 42.46 39.18 2kjp s ILE 24 CO -0.03 0.39 0.69 0.40 -0.00 0.00 0.00 174.94 176.39 2kjp h ILE 25 N 5.15 0.13 -2.55 8.37 1.08 -1.92 -3.48 117.51 124.29 2kjp h ILE 25 Ca -0.37 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.36 2kjp h ILE 25 Cb 1.17 0.22 -0.19 0.00 -3.07 0.00 0.00 36.82 34.95 2kjp h ILE 25 CO 0.64 0.03 -0.04 -0.44 -0.69 0.00 0.00 178.15 177.66 2kjp s SER 26 N -4.99 -0.42 0.00 1.72 0.01 -1.26 -4.75 113.70 104.01 2kjp s SER 26 Ca -0.09 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2kjp s SER 26 Cb 0.01 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2kjp s SER 26 CO 0.29 -0.55 0.00 0.00 0.41 0.00 0.00 173.24 173.39 2kjp n ALA 27 N 1.01 0.00 -1.33 1.44 0.00 -1.25 -3.69 120.51 116.70 2kjp n ALA 27 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 2kjp n ALA 27 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2kjp n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kjp n ASP 28 N 0.00 6.50 -0.65 0.00 2.03 -1.24 -4.20 116.55 118.99 2kjp n ASP 28 Ca 0.00 -3.18 -0.05 0.00 0.52 0.00 0.00 54.79 52.08 2kjp n ASP 28 Cb 0.00 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 0.70 0.25 2.84 0.27 0.00 -1.26 -5.04 105.19 102.96 2kjp n GLY 29 Ca 0.44 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.42 1.17 -1.04 1.61 1.02 -1.26 -5.08 119.74 111.74 2kjp s LYS 30 Ca 0.02 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.34 2kjp s LYS 30 Cb -0.01 -2.03 0.15 0.00 -0.52 0.00 0.00 37.83 35.42 2kjp s LYS 30 CO 0.03 -0.50 1.24 0.54 -0.92 0.00 0.00 175.35 175.74 2kjp s ASN 31 N 1.69 6.80 0.13 2.83 4.22 -1.26 -3.75 114.94 125.59 2kjp s ASN 31 Ca -0.00 -2.41 -0.31 0.00 -2.14 0.00 0.00 52.86 47.99 2kjp s ASN 31 Cb -0.16 -2.40 -0.09 0.00 1.28 0.00 0.00 41.25 39.89 2kjp s ASN 31 CO -0.07 -0.94 1.45 -0.31 -2.04 0.00 0.00 177.10 175.19 2kjp s TYR 32 N 2.26 3.15 -0.58 1.54 2.02 -1.26 -4.90 117.35 119.58 2kjp s TYR 32 Ca 0.37 0.83 0.25 0.00 -0.37 0.00 0.00 57.07 58.14 2kjp s TYR 32 Cb -0.04 -3.77 0.62 0.00 -0.40 0.00 0.00 41.96 38.37 2kjp s TYR 32 CO -0.06 -2.75 1.71 -0.56 -1.57 0.00 0.00 175.55 172.32 2kjp h GLN 33 N 6.87 0.00 -4.10 -0.62 3.07 -2.00 -3.43 115.11 114.91 2kjp h GLN 33 Ca -0.42 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 57.82 2kjp h GLN 33 Cb 1.21 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.40 2kjp h GLN 33 CO 0.88 0.00 -0.79 -1.12 0.09 0.00 0.00 178.83 177.89 2kjp s SER 34 N -5.29 1.92 0.47 0.06 0.01 -1.26 -5.02 113.70 104.59 2kjp s SER 34 Ca 0.09 -0.23 0.24 0.00 1.31 0.00 0.00 55.95 57.36 2kjp s SER 34 Cb 0.09 -0.71 1.27 0.00 0.21 0.00 0.00 66.02 66.88 2kjp s SER 34 CO 0.62 -0.12 1.86 0.00 0.41 0.00 0.00 173.24 176.01 2kjp h ALA 35 N 8.07 2.51 -0.85 1.44 0.00 -2.01 0.98 119.26 129.40 2kjp h ALA 35 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kjp h ALA 35 Cb 1.13 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2kjp h ALA 35 CO 0.38 -0.80 0.53 1.49 0.00 0.00 0.00 179.25 180.84 2kjp h GLU 36 N 0.22 0.93 -0.49 0.00 4.81 -1.98 -1.81 114.58 116.26 2kjp h GLU 36 Ca 0.47 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2kjp h GLU 36 Cb 1.48 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2kjp h GLU 36 CO -0.12 0.61 0.26 0.87 -0.73 0.00 0.00 179.01 179.91 2kjp h LYS 37 N 0.96 0.68 -0.71 1.92 1.79 -1.23 -1.76 116.57 118.22 2kjp h LYS 37 Ca 0.37 -0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.83 2kjp h LYS 37 Cb 0.18 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.64 2kjp h LYS 37 CO -0.18 0.54 0.39 1.25 -1.08 0.00 0.00 179.45 180.37 2kjp h LEU 38 N 0.64 0.56 -0.33 2.94 5.85 -1.29 0.11 115.31 123.79 2kjp h LEU 38 Ca 0.17 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2kjp h LEU 38 Cb 0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2kjp h LEU 38 CO -0.03 0.35 0.16 0.40 -0.34 0.00 0.00 178.44 178.98 2kjp h ILE 39 N 0.70 1.16 -0.28 4.05 2.04 -1.12 -2.19 117.51 121.87 2kjp h ILE 39 Ca 0.33 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2kjp h ILE 39 Cb 0.25 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2kjp h ILE 39 CO -0.21 0.17 0.18 -0.78 0.00 0.00 0.00 178.15 177.51 2kjp h ASP 40 N 0.40 0.32 0.43 1.72 3.58 -0.42 0.26 116.42 122.71 2kjp h ASP 40 Ca 0.11 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2kjp h ASP 40 Cb 0.13 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kjp h ASP 40 CO -0.01 0.23 -0.21 0.22 -2.88 0.00 0.00 179.24 176.59 2kjp h TYR 41 N 0.38 -0.54 -0.57 0.28 3.20 -0.70 -3.07 116.97 115.94 2kjp h TYR 41 Ca 0.10 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2kjp h TYR 41 Cb -0.04 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2kjp h TYR 41 CO -0.06 -0.33 0.02 0.97 -1.64 0.00 0.00 178.16 177.12 2kjp h ILE 42 N -0.60 1.26 -6.23 1.81 2.10 -1.39 -3.46 117.51 111.01 2kjp h ILE 42 Ca -0.06 -1.10 -0.44 0.00 1.08 0.00 0.00 64.86 64.34 2kjp h ILE 42 Cb 0.46 0.84 -0.19 0.00 -1.09 0.00 0.00 36.82 36.84 2kjp h ILE 42 CO 0.10 0.40 -0.65 -1.54 -1.08 0.00 0.00 178.15 175.38 2kjp n SER 43 N -4.25 -2.66 0.00 2.19 3.41 0.91 -1.42 113.62 111.81 2kjp n SER 43 Ca 0.02 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 2kjp n SER 43 Cb 0.33 -2.24 0.00 0.00 -0.26 0.00 0.00 64.21 62.03 2kjp n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kjp n SER 44 N -2.31 0.00 -1.98 4.04 3.41 -1.26 -4.83 113.62 110.68 2kjp n SER 44 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2kjp n SER 44 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -0.80 -2.75 4.33 5.02 -0.51 -4.84 118.16 118.61 2kjp n LYS 45 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2kjp n LYS 45 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 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 -2.37 2.54 0.18 1.97 1.02 -1.26 -4.61 119.74 117.22 2kjp s LYS 46 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.02 2kjp s LYS 46 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2kjp s LYS 46 CO 0.00 -0.66 0.00 0.00 -0.92 0.00 0.00 175.35 173.77 2kjp n ALA 47 N -2.25 -1.91 0.00 5.17 0.00 -1.25 -4.51 120.51 115.76 2kjp n ALA 47 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kjp n ALA 47 Cb 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.95 1.97 3.76 0.00 0.00 -1.26 -4.97 105.19 106.64 2kjp n GLY 48 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2kjp n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjp s ASP 49 N 0.00 5.54 0.48 1.61 2.15 -1.26 -4.76 116.67 120.43 2kjp s ASP 49 Ca 0.00 2.43 0.08 0.00 0.43 0.00 0.00 52.55 55.50 2kjp s ASP 49 Cb 0.00 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2kjp s ASP 49 CO 0.00 -1.36 0.61 -0.54 -0.17 0.00 0.00 175.17 173.71 2kjp s LYS 50 N -3.04 2.57 0.07 4.34 1.02 -1.26 -3.06 119.74 120.38 2kjp s LYS 50 Ca 0.72 -1.47 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 2kjp s LYS 50 Cb -0.32 -2.62 0.09 0.00 -0.52 0.00 0.00 37.83 34.46 2kjp s LYS 50 CO 0.36 -0.48 0.83 0.54 -0.92 0.00 0.00 175.35 175.68 2kjp s VAL 51 N -2.50 0.00 -0.28 3.17 0.11 -1.26 -4.94 120.40 114.69 2kjp s VAL 51 Ca 0.55 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.44 2kjp s VAL 51 Cb -0.07 -1.20 0.04 0.00 -1.53 0.00 0.00 36.38 33.63 2kjp s VAL 51 CO 0.33 0.00 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.18 2kjp s THR 52 N -3.32 2.86 -0.13 5.04 2.01 -1.26 -4.40 115.64 116.44 2kjp s THR 52 Ca 0.05 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 60.76 2kjp s THR 52 Cb -0.01 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.92 2kjp s THR 52 CO -0.07 -0.01 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.88 2kjp s LEU 53 N 1.25 2.01 0.08 4.42 1.02 -1.26 -3.62 118.68 122.59 2kjp s LEU 53 Ca -0.04 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.58 2kjp s LEU 53 Cb -0.19 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 2kjp s LEU 53 CO -0.02 0.06 0.07 -0.54 0.02 0.00 0.00 176.35 175.94 2kjp s LYS 54 N 0.86 2.84 0.13 1.70 1.02 -1.24 -4.42 119.74 120.63 2kjp s LYS 54 Ca -0.07 -0.72 0.10 0.00 0.02 0.00 0.00 55.97 55.31 2kjp s LYS 54 Cb -0.15 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2kjp s LYS 54 CO -0.02 0.56 -0.25 0.42 -0.92 0.00 0.00 175.35 175.14 2kjp s ILE 55 N -1.39 2.13 -0.16 2.17 -1.09 -1.24 -3.67 121.20 117.94 2kjp s ILE 55 Ca 0.29 -1.74 -0.04 0.00 -2.23 0.00 0.00 60.65 56.93 2kjp s ILE 55 Cb -0.12 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 2kjp s ILE 55 CO 0.22 0.02 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.21 2kjp s GLU 56 N -2.10 3.65 -0.29 2.79 2.12 -1.00 -3.24 118.70 120.63 2kjp s GLU 56 Ca 0.13 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 2kjp s GLU 56 Cb -0.10 -2.91 0.10 0.00 0.26 0.00 0.00 34.13 31.48 2kjp s GLU 56 CO 0.06 0.22 0.13 1.03 -0.54 0.00 0.00 175.26 176.16 2kjp s ARG 57 N 0.41 0.22 -1.14 4.30 0.52 -1.10 -4.39 118.95 117.77 2kjp s ARG 57 Ca -0.04 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.46 2kjp s ARG 57 Cb -0.14 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 2kjp s ARG 57 CO 0.03 -1.01 0.80 0.39 0.02 0.00 0.00 175.30 175.53 2kjp n GLU 58 N 5.23 -1.78 -2.70 3.54 1.02 -1.26 -2.41 120.64 122.27 2kjp n GLU 58 Ca -0.06 0.56 -0.16 0.00 -0.02 0.00 0.00 57.16 57.48 2kjp n GLU 58 Cb 0.42 -4.58 0.02 0.00 -0.02 0.00 0.00 31.44 27.28 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 -3.99 -3.08 -4.36 3.49 2.13 -1.26 -5.03 120.64 108.53 2kjp n GLU 59 Ca -0.11 0.67 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 2kjp n GLU 59 Cb 0.61 -5.01 -0.10 0.00 0.27 0.00 0.00 31.44 27.21 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 -5.25 1.38 0.02 5.31 -0.14 -1.01 -5.16 119.74 114.88 2kjp s LYS 60 Ca 0.18 -1.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.18 2kjp s LYS 60 Cb -0.08 -1.20 -0.01 0.00 -1.68 0.00 0.00 37.83 34.86 2kjp s LYS 60 CO 0.22 0.20 -0.05 -2.00 -0.76 0.00 0.00 175.35 172.95 2kjp s GLU 61 N -3.63 0.38 0.03 1.68 2.12 -1.26 -2.71 118.70 115.30 2kjp s GLU 61 Ca 0.24 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 55.13 2kjp s GLU 61 Cb -0.01 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 2kjp s GLU 61 CO 0.08 0.04 -0.07 0.15 -0.54 0.00 0.00 175.26 174.93 2kjp s LYS 62 N -0.92 0.47 -0.09 4.30 1.02 -1.20 -5.00 119.74 118.33 2kjp s LYS 62 Ca -0.06 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.38 2kjp s LYS 62 Cb -0.06 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.96 2kjp s LYS 62 CO -0.00 0.06 -0.11 0.50 -0.92 0.00 0.00 175.35 174.88 2kjp s ARG 63 N -1.08 1.74 0.02 1.68 3.52 -1.26 -3.71 118.95 119.86 2kjp s ARG 63 Ca -0.06 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 2kjp s ARG 63 Cb -0.07 -1.57 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2kjp s ARG 63 CO 0.00 -0.11 0.04 0.14 -0.81 0.00 0.00 175.30 174.56 2kjp s VAL 64 N 1.13 0.12 -0.21 7.11 -7.23 -1.26 -5.12 120.40 114.94 2kjp s VAL 64 Ca -0.05 -0.96 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2kjp s VAL 64 Cb -0.14 -0.52 0.02 0.00 0.56 0.00 0.00 36.38 36.29 2kjp s VAL 64 CO -0.02 -0.53 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.22 2kjp s THR 65 N -1.85 2.55 0.09 5.32 2.01 -1.26 -4.34 115.64 118.15 2kjp s THR 65 Ca -0.12 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 2kjp s THR 65 Cb -0.06 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2kjp s THR 65 CO -0.02 0.38 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.79 2kjp s LEU 66 N 1.32 2.33 0.09 4.42 2.34 -1.26 -5.13 118.68 122.79 2kjp s LEU 66 Ca 0.03 -1.06 -0.26 0.00 0.06 0.00 0.00 54.13 52.91 2kjp s LEU 66 Cb -0.15 0.12 -0.06 0.00 -0.56 0.00 0.00 46.19 45.54 2kjp s LEU 66 CO -0.08 -0.58 0.79 0.28 -1.06 0.00 0.00 176.35 175.70 2kjp s THR 67 N -3.84 4.60 0.78 5.48 -1.32 -1.26 -4.17 115.64 115.91 2kjp s THR 67 Ca 0.13 1.71 -0.14 0.00 -1.21 0.00 0.00 61.69 62.18 2kjp s THR 67 Cb 0.07 -4.15 0.06 0.00 -1.51 0.00 0.00 72.50 66.97 2kjp s THR 67 CO -0.05 0.40 1.13 0.18 -2.21 0.00 0.00 174.62 174.07 2kjp n LEU 68 N 2.46 4.17 -4.32 9.08 4.77 -1.17 -4.97 117.00 127.01 2kjp n LEU 68 Ca -0.03 0.61 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 2kjp n LEU 68 Cb 0.50 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 2kjp n LEU 68 CO 0.47 -1.79 -0.44 -0.75 -1.33 0.00 0.00 177.39 173.55 2kjp s LYS 69 N -3.87 1.26 0.04 3.23 2.47 -1.26 -3.83 119.74 117.77 2kjp s LYS 69 Ca 0.73 -1.54 0.03 0.00 -1.56 0.00 0.00 55.97 53.64 2kjp s LYS 69 Cb -0.31 -1.02 -0.02 0.00 -1.46 0.00 0.00 37.83 35.03 2kjp s LYS 69 CO 0.51 0.17 -0.10 1.14 0.16 0.00 0.00 175.35 177.22 2kjp s GLN 70 N -3.58 0.67 0.34 4.03 -2.07 -1.26 -4.23 119.66 113.55 2kjp s GLN 70 Ca 0.20 -0.69 -0.25 0.00 -1.82 0.00 0.00 55.36 52.81 2kjp s GLN 70 Cb -0.01 -0.57 -0.14 0.00 -1.09 0.00 0.00 33.01 31.20 2kjp s GLN 70 CO 0.05 0.13 0.54 1.19 -1.32 0.00 0.00 175.29 175.88 2kjp n PHE 71 N 1.81 -0.47 0.11 9.60 3.72 -1.26 -4.95 117.46 126.02 2kjp n PHE 71 Ca -0.20 0.72 -0.06 0.00 -0.05 0.00 0.00 57.45 57.86 2kjp n PHE 71 Cb 0.55 -1.99 -0.03 0.00 -0.94 0.00 0.00 39.48 37.07 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 0.97 -0.35 -0.26 -1.08 0.13 -1.93 -3.33 132.00 126.15 2kjp h PRO 72 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kjp h PRO 72 Cb 1.41 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.62 2kjp h PRO 72 CO 0.54 -0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 177.84 2kjp n ASP 73 N -5.02 0.26 -3.10 1.44 8.00 -1.26 -3.87 116.55 113.00 2kjp n ASP 73 Ca -0.05 -1.84 -0.19 0.00 0.71 0.00 0.00 54.79 53.43 2kjp n ASP 73 Cb 0.15 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.35 0.84 0.00 -1.24 -0.58 -1.25 -4.95 120.64 113.11 2kjp n GLU 74 Ca 0.00 -2.99 0.08 0.00 -0.42 0.00 0.00 57.16 53.83 2kjp n GLU 74 Cb 0.07 -1.40 0.36 0.00 -0.57 0.00 0.00 31.44 29.90 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kjp n PRO 75 N 0.94 0.02 0.00 3.49 -0.04 -1.25 -1.99 135.00 136.17 2kjp n PRO 75 Ca 0.20 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2kjp n PRO 75 Cb 0.60 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.15 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 76 N -1.48 1.12 -3.78 3.54 8.00 -1.26 -4.87 116.55 117.81 2kjp n ASP 76 Ca 0.04 -1.29 -0.12 0.00 0.71 0.00 0.00 54.79 54.14 2kjp n ASP 76 Cb 0.19 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kjp s ARG 77 N -2.08 0.71 -0.00 -1.24 3.52 -0.84 -5.18 118.95 113.84 2kjp s ARG 77 Ca 0.38 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2kjp s ARG 77 Cb 0.21 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2kjp s ARG 77 CO 0.37 -0.21 0.04 0.00 -0.81 0.00 0.00 175.30 174.69 2kjp s ALA 78 N -2.03 -0.07 0.00 6.12 0.00 -1.26 -4.19 121.76 120.33 2kjp s ALA 78 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2kjp s ALA 78 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2kjp s ALA 78 CO -0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2kjp n GLY 79 N 2.34 -0.72 3.56 0.00 0.00 -1.26 -4.95 105.19 104.15 2kjp n GLY 79 Ca -0.18 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2kjp n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kjp n ILE 80 N 0.00 0.58 0.00 -0.61 2.08 -1.26 -0.82 119.36 119.33 2kjp n ILE 80 Ca 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.71 2kjp n ILE 80 Cb 0.00 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 36.83 2kjp n ILE 80 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kjp n GLY 81 N 5.90 0.41 3.49 7.39 0.00 -1.26 -4.90 105.19 116.22 2kjp n GLY 81 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.61 0.01 -0.28 1.61 0.11 0.00 -4.72 120.40 116.53 2kjp s VAL 82 Ca 0.00 -0.06 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 2kjp s VAL 82 Cb 0.00 -0.90 0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2kjp s VAL 82 CO 0.00 -0.04 0.82 -0.55 -3.33 0.00 0.00 175.10 172.01 2kjp s SER 83 N -0.62 -0.68 0.30 3.54 0.15 -1.26 -4.74 113.70 110.38 2kjp s SER 83 Ca -0.07 1.25 -0.29 0.00 0.70 0.00 0.00 55.95 57.54 2kjp s SER 83 Cb -0.02 1.27 -0.10 0.00 -1.71 0.00 0.00 66.02 65.46 2kjp s SER 83 CO 0.06 -0.21 1.25 -0.76 1.20 0.00 0.00 173.24 174.77 2kjp s LEU 84 N 0.66 4.46 1.37 3.45 1.43 -1.26 -4.93 118.68 123.87 2kjp s LEU 84 Ca -0.02 2.53 -0.22 0.00 -1.03 0.00 0.00 54.13 55.40 2kjp s LEU 84 Cb -0.05 -3.64 0.35 0.00 0.03 0.00 0.00 46.19 42.88 2kjp s LEU 84 CO -0.06 -0.42 0.97 -1.61 0.23 0.00 0.00 176.35 175.46 2kjp s GLU 85 N -1.51 -2.55 -0.19 1.70 0.41 -1.26 -4.84 118.70 110.46 2kjp s GLU 85 Ca 0.48 0.10 -0.29 0.00 -0.41 0.00 0.00 54.97 54.85 2kjp s GLU 85 Cb -0.37 -1.43 -0.04 0.00 -1.78 0.00 0.00 34.13 30.51 2kjp s GLU 85 CO 0.48 -4.62 1.92 -1.01 -0.49 0.00 0.00 175.26 171.54 2kjp s HIS 86 N -2.44 1.58 0.14 1.61 3.76 -1.26 -4.87 115.29 113.80 2kjp s HIS 86 Ca 0.69 0.37 -0.15 0.00 -0.15 0.00 0.00 55.06 55.82 2kjp s HIS 86 Cb -0.13 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.53 2kjp s HIS 86 CO 0.58 -3.82 1.65 1.25 -0.85 0.00 0.00 174.74 173.55 2kjp h HIS 87 N 12.57 0.70 -5.68 1.40 2.76 -2.04 -3.48 115.15 121.38 2kjp h HIS 87 Ca -0.39 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 57.65 2kjp h HIS 87 Cb 1.20 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2kjp h HIS 87 CO 0.94 0.64 -0.93 1.58 -1.30 0.00 0.00 177.93 178.86 2kjp n HIS 88 N -4.56 -2.71 -2.88 5.26 -0.00 -1.26 -5.03 115.22 104.03 2kjp n HIS 88 Ca 0.00 1.16 -0.00 0.00 -0.00 0.00 0.00 57.72 58.88 2kjp n HIS 88 Cb 0.19 -2.97 0.01 0.00 -0.00 0.00 0.00 29.99 27.22 2kjp n HIS 88 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kjp s HIS 89 N -1.65 -0.96 -0.28 1.57 5.04 -1.26 -5.15 115.29 112.59 2kjp s HIS 89 Ca 0.10 -0.00 -0.23 0.00 -1.54 0.00 0.00 55.06 53.39 2kjp s HIS 89 Cb -0.02 0.18 0.11 0.00 0.04 0.00 0.00 32.58 32.89 2kjp s HIS 89 CO 0.59 -0.68 0.94 -1.58 -2.34 0.00 0.00 174.74 171.67 2kjp s HIS 90 N 1.60 -0.59 -2.00 3.88 5.04 -1.26 -5.33 115.29 116.63 2kjp s HIS 90 Ca 0.19 1.38 0.04 0.00 -1.54 0.00 0.00 55.06 55.13 2kjp s HIS 90 Cb 0.02 0.36 0.24 0.00 0.04 0.00 0.00 32.58 33.24 2kjp s HIS 90 CO -0.10 -0.29 0.71 0.72 -2.34 0.00 0.00 174.74 173.44