#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 0.39 0.08 7.41 0.00 -1.26 -2.01 105.19 109.80 2kjp n GLY 2 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.23 -0.61 -5.35 -1.26 -4.42 119.36 104.49 2kjp n ILE 3 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 2kjp n ILE 3 Cb 0.00 -0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 37.66 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2kjp s TYR 4 N -1.84 -1.35 0.10 4.28 5.04 -0.85 -4.52 117.35 118.21 2kjp s TYR 4 Ca 0.00 1.22 -0.31 0.00 -2.44 0.00 0.00 57.07 55.55 2kjp s TYR 4 Cb 0.00 0.30 -0.06 0.00 0.35 0.00 0.00 41.96 42.54 2kjp s TYR 4 CO 0.00 -0.87 1.23 0.00 -1.34 0.00 0.00 175.55 174.56 2kjp s ALA 5 N 2.73 3.43 0.00 3.97 0.00 -1.07 0.18 121.76 131.00 2kjp s ALA 5 Ca 0.16 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2kjp s ALA 5 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2kjp s ALA 5 CO -0.21 -0.44 0.00 0.45 0.00 0.00 0.00 175.76 175.55 2kjp n SER 6 N 3.63 3.20 -3.71 0.00 2.88 -1.26 0.16 113.62 118.52 2kjp n SER 6 Ca 0.08 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.59 2kjp n SER 6 Cb 0.45 0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 64.45 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kjp s SER 7 N -1.57 -0.19 -0.03 -3.46 1.04 -1.26 -4.73 113.70 103.49 2kjp s SER 7 Ca 0.00 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2kjp s SER 7 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2kjp s SER 7 CO 0.00 -0.80 -0.01 0.68 0.98 0.00 0.00 173.24 174.09 2kjp s VAL 8 N -3.17 0.26 0.65 5.02 -7.23 -1.26 -4.90 120.40 109.78 2kjp s VAL 8 Ca 0.11 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 2kjp s VAL 8 Cb -0.01 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 2kjp s VAL 8 CO 0.00 0.16 0.96 1.33 -0.31 0.00 0.00 175.10 177.24 2kjp n VAL 9 N 4.09 3.44 -0.90 1.32 0.24 -1.26 -4.93 118.33 120.34 2kjp n VAL 9 Ca -0.27 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.34 61.27 2kjp n VAL 9 Cb 0.50 -1.12 0.02 0.00 -1.47 0.00 0.00 33.84 31.77 2kjp n VAL 9 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2kjp n GLU 10 N -1.36 0.00 0.00 7.34 0.28 -1.26 -4.00 120.64 121.65 2kjp n GLU 10 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2kjp n GLU 10 Cb 0.48 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.42 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 3.20 0.00 -3.08 -1.84 5.15 -1.26 -4.92 115.26 112.51 2kjp n ASN 11 Ca -0.02 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2kjp n ASN 11 Cb 0.61 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.85 2kjp n ASN 11 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2kjp n MET 12 N 0.00 -1.23 0.09 1.20 0.00 -1.26 -4.66 117.12 111.26 2kjp n MET 12 Ca 0.00 1.25 0.04 0.00 -0.00 0.00 0.00 57.70 58.99 2kjp n MET 12 Cb 0.00 -1.14 0.21 0.00 0.00 0.00 0.00 33.22 32.29 2kjp n MET 12 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kjp n PRO 13 N 2.15 0.05 -0.85 2.12 -0.02 -1.26 -4.72 135.00 132.48 2kjp n PRO 13 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2kjp n PRO 13 Cb 0.16 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.48 0.00 -2.37 3.55 0.00 -1.26 -4.83 120.51 114.12 2kjp n ALA 14 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 2kjp n ALA 14 Cb 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.71 4.59 0.00 0.00 2.20 -1.26 -3.45 119.74 120.11 2kjp s LYS 15 Ca 0.00 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2kjp s LYS 15 Cb 0.00 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2kjp s LYS 15 CO 0.00 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2kjp n GLY 16 N 2.57 0.00 2.83 5.54 0.00 -1.26 -4.82 105.19 110.05 2kjp n GLY 16 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.14 1.11 -0.08 1.61 -2.85 -1.22 -4.53 119.74 113.62 2kjp s LYS 17 Ca 0.00 -0.67 0.02 0.00 -1.00 0.00 0.00 55.97 54.32 2kjp s LYS 17 Cb 0.00 -2.32 -0.02 0.00 -2.06 0.00 0.00 37.83 33.43 2kjp s LYS 17 CO 0.00 -0.61 -0.15 -1.50 0.10 0.00 0.00 175.35 173.19 2kjp s ILE 18 N 1.65 2.95 -0.23 3.79 1.10 -1.26 -4.40 121.20 124.79 2kjp s ILE 18 Ca -0.03 -0.74 -0.04 0.00 -0.51 0.00 0.00 60.65 59.34 2kjp s ILE 18 Cb -0.18 -2.18 0.09 0.00 0.15 0.00 0.00 42.46 40.34 2kjp s ILE 18 CO -0.07 0.56 0.16 -1.61 -2.11 0.00 0.00 174.94 171.87 2kjp s GLU 19 N -0.21 0.17 -0.35 3.50 2.02 -1.26 -4.94 118.70 117.63 2kjp s GLU 19 Ca 0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 2kjp s GLU 19 Cb -0.13 -1.30 0.19 0.00 0.10 0.00 0.00 34.13 32.98 2kjp s GLU 19 CO 0.03 -0.83 0.90 0.14 0.02 0.00 0.00 175.26 175.52 2kjp s VAL 20 N 2.20 -0.48 0.00 2.63 -7.23 -1.26 -4.50 120.40 111.75 2kjp s VAL 20 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2kjp s VAL 20 Cb -0.16 -0.01 0.00 0.00 0.56 0.00 0.00 36.38 36.77 2kjp s VAL 20 CO -0.22 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2kjp n GLY 21 N 3.97 2.93 3.73 2.32 0.00 0.41 -4.93 105.19 113.62 2kjp n GLY 21 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.91 2.87 0.10 1.61 1.01 -1.26 -4.72 116.67 114.37 2kjp s ASP 22 Ca 0.00 0.98 0.10 0.00 0.71 0.00 0.00 52.55 54.34 2kjp s ASP 22 Cb 0.00 -1.55 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 2kjp s ASP 22 CO 0.00 -2.95 -0.25 -0.75 0.21 0.00 0.00 175.17 171.43 2kjp s LYS 23 N -5.19 1.41 -0.40 8.23 2.20 -1.26 -2.60 119.74 122.12 2kjp s LYS 23 Ca 0.65 -1.21 -0.16 0.00 -0.36 0.00 0.00 55.97 54.89 2kjp s LYS 23 Cb -0.15 -1.74 0.02 0.00 -1.51 0.00 0.00 37.83 34.44 2kjp s LYS 23 CO 0.55 0.42 0.38 0.96 -0.36 0.00 0.00 175.35 177.31 2kjp s ILE 24 N -1.00 5.15 0.18 5.43 -0.00 -1.26 -2.83 121.20 126.86 2kjp s ILE 24 Ca 0.11 -0.37 -0.10 0.00 -0.00 0.00 0.00 60.65 60.28 2kjp s ILE 24 Cb -0.10 -3.97 0.07 0.00 -0.00 0.00 0.00 42.46 38.46 2kjp s ILE 24 CO 0.04 -0.34 1.67 -0.29 -0.00 0.00 0.00 174.94 176.03 2kjp h ILE 25 N 5.67 1.26 -2.73 8.37 2.10 -1.90 -3.46 117.51 126.82 2kjp h ILE 25 Ca -0.27 -0.99 -0.05 0.00 1.08 0.00 0.00 64.86 64.63 2kjp h ILE 25 Cb 1.12 0.72 -0.15 0.00 -1.09 0.00 0.00 36.82 37.41 2kjp h ILE 25 CO 0.76 0.37 0.11 -0.94 -1.08 0.00 0.00 178.15 177.37 2kjp s SER 26 N -6.38 -0.51 -0.37 2.19 1.04 -1.26 -3.22 113.70 105.19 2kjp s SER 26 Ca -0.12 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.51 2kjp s SER 26 Cb 0.13 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.90 2kjp s SER 26 CO 0.83 -0.78 0.16 0.00 0.98 0.00 0.00 173.24 174.43 2kjp s ALA 27 N -2.67 1.87 -0.23 5.32 0.00 -1.19 -3.32 121.76 121.52 2kjp s ALA 27 Ca -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.80 2kjp s ALA 27 Cb -0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2kjp s ALA 27 CO -0.03 -1.85 0.00 -0.25 0.00 0.00 0.00 175.76 173.63 2kjp n ASP 28 N 4.24 -3.12 0.00 0.00 8.00 -1.13 -4.41 116.55 120.13 2kjp n ASP 28 Ca 0.03 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2kjp n ASP 28 Cb 0.39 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kjp n GLY 29 N 0.38 1.35 3.94 0.44 0.00 -1.26 -5.08 105.19 104.96 2kjp n GLY 29 Ca -0.02 0.37 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 2.81 2.32 0.44 1.61 1.02 -1.26 -4.84 119.74 121.84 2kjp s LYS 30 Ca 0.00 -1.83 0.30 0.00 0.02 0.00 0.00 55.97 54.46 2kjp s LYS 30 Cb 0.00 -2.31 1.28 0.00 -0.52 0.00 0.00 37.83 36.28 2kjp s LYS 30 CO 0.00 -0.62 1.89 -2.95 -0.92 0.00 0.00 175.35 172.75 2kjp h ASN 31 N 0.62 0.00 -5.16 2.83 7.08 -1.90 -3.16 115.58 115.89 2kjp h ASN 31 Ca -0.35 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.87 2kjp h ASN 31 Cb 1.29 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.48 2kjp h ASN 31 CO 0.52 0.00 -0.83 -1.22 -2.08 0.00 0.00 177.43 173.82 2kjp n TYR 32 N -2.73 -2.71 -0.25 4.14 4.01 -1.26 -4.84 117.16 113.51 2kjp n TYR 32 Ca 0.01 1.59 -0.03 0.00 -0.16 0.00 0.00 57.90 59.31 2kjp n TYR 32 Cb 0.25 -2.70 0.09 0.00 -0.31 0.00 0.00 39.34 36.67 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 4.43 0.80 -5.30 -0.72 4.20 -2.01 -3.38 115.11 113.13 2kjp h GLN 33 Ca -0.24 -0.05 -0.65 0.00 0.06 0.00 0.00 58.65 57.77 2kjp h GLN 33 Cb 0.53 -0.18 -0.15 0.00 0.30 0.00 0.00 27.48 27.98 2kjp h GLN 33 CO 0.00 0.53 0.03 -1.12 -0.67 0.00 0.00 178.83 177.60 2kjp s SER 34 N -5.71 6.32 0.54 1.46 0.01 -1.26 -4.93 113.70 110.14 2kjp s SER 34 Ca -0.13 -0.18 0.27 0.00 1.31 0.00 0.00 55.95 57.22 2kjp s SER 34 Cb 0.16 -2.29 1.44 0.00 0.21 0.00 0.00 66.02 65.53 2kjp s SER 34 CO 0.77 -0.62 1.98 0.00 0.41 0.00 0.00 173.24 175.78 2kjp h ALA 35 N 8.64 2.43 -1.00 1.44 0.00 -1.93 -0.94 119.26 127.90 2kjp h ALA 35 Ca -0.27 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2kjp h ALA 35 Cb 1.11 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2kjp h ALA 35 CO 0.83 -0.68 0.63 0.93 0.00 0.00 0.00 179.25 180.96 2kjp h GLU 36 N 0.00 0.94 -0.40 0.00 4.39 -1.94 -0.57 114.58 117.01 2kjp h GLU 36 Ca 0.25 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 2kjp h GLU 36 Cb 1.06 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2kjp h GLU 36 CO -0.00 0.62 0.14 0.87 -1.16 0.00 0.00 179.01 179.48 2kjp h LYS 37 N 0.97 0.61 -0.07 2.33 1.79 -1.56 -0.52 116.57 120.13 2kjp h LYS 37 Ca 0.50 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2kjp h LYS 37 Cb 0.53 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2kjp h LYS 37 CO -0.28 0.60 0.04 1.25 -1.08 0.00 0.00 179.45 179.99 2kjp h LEU 38 N 0.50 0.08 -0.21 2.94 6.46 -1.22 0.22 115.31 124.09 2kjp h LEU 38 Ca 0.13 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 2kjp h LEU 38 Cb 0.23 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2kjp h LEU 38 CO -0.01 0.07 0.04 0.40 -0.62 0.00 0.00 178.44 178.32 2kjp h ILE 39 N 0.08 0.90 -0.91 4.05 2.04 -1.13 -1.61 117.51 120.93 2kjp h ILE 39 Ca 0.02 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2kjp h ILE 39 Cb 0.00 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2kjp h ILE 39 CO -0.01 0.02 0.54 0.44 0.00 0.00 0.00 178.15 179.15 2kjp h ASP 40 N 0.12 1.10 0.36 1.72 3.32 -0.80 -0.41 116.42 121.82 2kjp h ASP 40 Ca 0.09 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2kjp h ASP 40 Cb 0.09 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2kjp h ASP 40 CO -0.13 0.85 -0.17 0.22 -1.72 0.00 0.00 179.24 178.29 2kjp h TYR 41 N 1.26 -0.44 -0.72 4.55 3.20 0.10 -3.03 116.97 121.89 2kjp h TYR 41 Ca 0.33 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2kjp h TYR 41 Cb -0.04 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2kjp h TYR 41 CO 0.00 -0.24 0.20 0.97 -1.64 0.00 0.00 178.16 177.46 2kjp h ILE 42 N -0.53 1.26 -3.85 1.81 2.10 -1.25 -3.46 117.51 113.59 2kjp h ILE 42 Ca -0.05 -0.93 -0.28 0.00 1.08 0.00 0.00 64.86 64.68 2kjp h ILE 42 Cb 0.40 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 2kjp h ILE 42 CO 0.08 0.36 -0.37 -1.20 -1.08 0.00 0.00 178.15 175.94 2kjp n SER 43 N -4.26 -4.22 -0.36 2.19 7.64 -0.17 -0.29 113.62 114.15 2kjp n SER 43 Ca 0.05 0.12 -0.04 0.00 1.01 0.00 0.00 58.87 60.01 2kjp n SER 43 Cb 0.24 -3.56 -0.02 0.00 -1.01 0.00 0.00 64.21 59.86 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 -1.88 -4.59 -3.49 6.43 7.64 -1.26 -4.77 113.62 111.70 2kjp n SER 44 Ca -0.15 0.10 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 2kjp n SER 44 Cb 0.62 -3.10 -0.08 0.00 -1.01 0.00 0.00 64.21 60.63 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 0.08 0.00 -3.77 1.43 5.02 0.60 -3.76 118.16 117.76 2kjp n LYS 45 Ca -0.04 -0.76 -0.24 0.00 -2.02 0.00 0.00 58.31 55.24 2kjp n LYS 45 Cb 0.43 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.23 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 6.00 3.47 -0.12 1.97 1.02 -1.26 -4.52 119.74 126.30 2kjp s LYS 46 Ca 0.47 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 2kjp s LYS 46 Cb 0.10 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2kjp s LYS 46 CO 0.24 0.38 0.02 0.00 -0.92 0.00 0.00 175.35 175.07 2kjp n ALA 47 N -1.12 -3.22 0.00 5.17 0.00 -0.93 -4.47 120.51 115.95 2kjp n ALA 47 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kjp n ALA 47 Cb 0.55 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 0.36 2.81 3.75 0.00 0.00 -1.26 -5.03 105.19 105.81 2kjp n GLY 48 Ca -0.03 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 7.48 0.04 1.61 1.01 -1.26 -4.88 116.67 120.67 2kjp s ASP 49 Ca 0.00 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.34 2kjp s ASP 49 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2kjp s ASP 49 CO 0.00 0.02 0.20 -0.54 0.21 0.00 0.00 175.17 175.06 2kjp s LYS 50 N -1.23 3.42 -0.07 8.23 1.02 -1.26 -3.79 119.74 126.06 2kjp s LYS 50 Ca 0.43 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.90 2kjp s LYS 50 Cb -0.29 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2kjp s LYS 50 CO 0.36 0.63 0.26 0.14 -0.92 0.00 0.00 175.35 175.81 2kjp s VAL 51 N -1.46 0.02 -0.35 3.17 -7.23 -1.26 -5.04 120.40 108.25 2kjp s VAL 51 Ca 0.33 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.17 2kjp s VAL 51 Cb -0.13 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2kjp s VAL 51 CO 0.26 -0.10 0.33 -0.89 -0.31 0.00 0.00 175.10 174.38 2kjp s THR 52 N -0.35 5.20 -0.32 5.32 2.01 -1.26 -4.74 115.64 121.50 2kjp s THR 52 Ca -0.05 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 2kjp s THR 52 Cb -0.03 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.73 2kjp s THR 52 CO 0.01 -0.09 0.04 -0.76 -0.69 0.00 0.00 174.62 173.14 2kjp s LEU 53 N 1.92 4.11 0.19 4.42 1.43 -1.26 -2.82 118.68 126.66 2kjp s LEU 53 Ca 0.10 -1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 51.74 2kjp s LEU 53 Cb -0.17 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 2kjp s LEU 53 CO 0.11 -0.30 0.66 -0.54 0.23 0.00 0.00 176.35 176.52 2kjp s LYS 54 N 1.29 4.18 0.13 1.70 1.02 -1.21 -4.87 119.74 121.98 2kjp s LYS 54 Ca -0.03 0.76 0.10 0.00 0.02 0.00 0.00 55.97 56.81 2kjp s LYS 54 Cb -0.20 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2kjp s LYS 54 CO -0.00 0.44 -0.23 0.42 -0.92 0.00 0.00 175.35 175.06 2kjp s ILE 55 N -1.46 2.01 -0.21 2.17 -1.09 -1.26 -3.42 121.20 117.93 2kjp s ILE 55 Ca 0.40 -1.74 -0.04 0.00 -2.23 0.00 0.00 60.65 57.04 2kjp s ILE 55 Cb -0.17 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 2kjp s ILE 55 CO 0.20 -0.05 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.14 2kjp s GLU 56 N -2.18 3.48 -0.07 2.79 2.12 -1.13 -3.94 118.70 119.78 2kjp s GLU 56 Ca 0.12 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 2kjp s GLU 56 Cb -0.09 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.30 2kjp s GLU 56 CO 0.06 -0.09 0.03 1.03 -0.54 0.00 0.00 175.26 175.74 2kjp s ARG 57 N 1.24 0.34 -1.72 4.30 0.52 0.19 -4.49 118.95 119.33 2kjp s ARG 57 Ca 0.03 0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 2kjp s ARG 57 Cb -0.14 -0.86 0.14 0.00 0.52 0.00 0.00 34.95 34.61 2kjp s ARG 57 CO -0.00 -0.33 0.46 0.39 0.02 0.00 0.00 175.30 175.84 2kjp n GLU 58 N 5.21 -1.48 -2.47 3.54 -0.58 -1.26 0.72 120.64 124.32 2kjp n GLU 58 Ca -0.06 0.20 -0.12 0.00 -0.42 0.00 0.00 57.16 56.76 2kjp n GLU 58 Cb 0.50 -4.48 0.01 0.00 -0.57 0.00 0.00 31.44 26.90 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kjp n GLU 59 N -4.29 -1.89 -4.17 3.49 1.02 -1.26 -5.04 120.64 108.50 2kjp n GLU 59 Ca -0.04 0.51 -0.18 0.00 -0.02 0.00 0.00 57.16 57.42 2kjp n GLU 59 Cb 0.54 -4.54 -0.12 0.00 -0.02 0.00 0.00 31.44 27.30 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kjp s LYS 60 N -4.90 0.79 0.05 3.49 1.02 0.22 -5.16 119.74 115.25 2kjp s LYS 60 Ca 0.09 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.20 2kjp s LYS 60 Cb -0.04 -0.78 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 2kjp s LYS 60 CO 0.12 0.17 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.38 2kjp s GLU 61 N -1.69 0.79 0.02 1.68 2.02 -1.26 -0.63 118.70 119.62 2kjp s GLU 61 Ca -0.03 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2kjp s GLU 61 Cb -0.10 -0.75 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 2kjp s GLU 61 CO 0.02 0.17 -0.04 0.15 0.02 0.00 0.00 175.26 175.58 2kjp s LYS 62 N -1.38 0.32 -0.03 1.61 1.02 -1.25 -5.03 119.74 114.99 2kjp s LYS 62 Ca -0.02 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.52 2kjp s LYS 62 Cb -0.09 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 2kjp s LYS 62 CO 0.01 0.01 -0.10 -0.98 -0.92 0.00 0.00 175.35 173.37 2kjp s ARG 63 N -1.04 1.14 -0.06 1.68 1.70 -1.26 -4.16 118.95 116.96 2kjp s ARG 63 Ca -0.09 -0.35 -0.08 0.00 -0.47 0.00 0.00 55.73 54.73 2kjp s ARG 63 Cb -0.07 -1.04 0.02 0.00 -0.57 0.00 0.00 34.95 33.29 2kjp s ARG 63 CO -0.00 0.12 0.21 0.08 -1.08 0.00 0.00 175.30 174.63 2kjp s VAL 64 N 0.24 0.02 -0.35 4.99 1.01 -1.26 -5.13 120.40 119.92 2kjp s VAL 64 Ca -0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 2kjp s VAL 64 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2kjp s VAL 64 CO 0.01 -0.11 0.73 0.28 0.00 0.00 0.00 175.10 176.02 2kjp s THR 65 N -0.34 4.80 0.16 3.92 -1.32 -1.26 -4.82 115.64 116.79 2kjp s THR 65 Ca -0.04 0.86 0.01 0.00 -1.21 0.00 0.00 61.69 61.31 2kjp s THR 65 Cb -0.03 -4.14 -0.04 0.00 -1.51 0.00 0.00 72.50 66.77 2kjp s THR 65 CO 0.01 -0.34 0.01 -0.22 -2.21 0.00 0.00 174.62 171.87 2kjp s LEU 66 N 2.93 2.07 -0.09 9.08 2.96 -1.26 -5.09 118.68 129.27 2kjp s LEU 66 Ca 0.29 -1.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.02 2kjp s LEU 66 Cb -0.14 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 2kjp s LEU 66 CO 0.15 -0.59 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.63 2kjp s THR 67 N -3.72 3.71 0.77 3.68 2.01 -1.26 -4.34 115.64 116.48 2kjp s THR 67 Ca 0.24 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 2kjp s THR 67 Cb 0.06 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 70.09 2kjp s THR 67 CO 0.03 0.57 1.20 -0.76 -0.69 0.00 0.00 174.62 174.98 2kjp s LEU 68 N -0.45 3.23 0.58 4.42 1.43 -1.25 -4.97 118.68 121.68 2kjp s LEU 68 Ca 0.07 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 55.61 2kjp s LEU 68 Cb -0.12 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.60 2kjp s LEU 68 CO 0.02 -2.44 0.77 -1.59 0.23 0.00 0.00 176.35 173.34 2kjp s LYS 69 N -4.04 2.27 0.07 1.70 0.00 -1.26 -3.77 119.74 114.71 2kjp s LYS 69 Ca 0.74 -1.71 0.07 0.00 0.00 0.00 0.00 55.97 55.07 2kjp s LYS 69 Cb -0.29 -2.59 -0.03 0.00 0.00 0.00 0.00 37.83 34.92 2kjp s LYS 69 CO 0.48 -0.88 -0.20 1.14 0.00 0.00 0.00 175.35 175.88 2kjp s GLN 70 N -4.66 1.22 -0.30 1.78 -2.07 -1.26 -2.18 119.66 112.19 2kjp s GLN 70 Ca 0.60 -1.03 -0.33 0.00 -1.82 0.00 0.00 55.36 52.78 2kjp s GLN 70 Cb -0.05 -1.39 -0.09 0.00 -1.09 0.00 0.00 33.01 30.38 2kjp s GLN 70 CO 0.38 0.34 2.20 1.19 -1.32 0.00 0.00 175.29 178.08 2kjp n PHE 71 N 1.50 1.74 -0.33 9.60 3.72 -1.26 -4.85 117.46 127.57 2kjp n PHE 71 Ca -0.18 0.13 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 2kjp n PHE 71 Cb 0.54 -2.60 0.32 0.00 -0.94 0.00 0.00 39.48 36.79 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 13.30 0.78 -0.81 -1.08 0.11 -1.96 -0.32 132.00 142.02 2kjp h PRO 72 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kjp h PRO 72 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kjp h PRO 72 CO 1.00 0.51 0.00 -0.25 -0.21 0.00 0.00 178.00 179.05 2kjp n ASP 73 N -4.65 2.83 -2.70 -2.05 8.00 -1.26 -4.27 116.55 112.45 2kjp n ASP 73 Ca 0.20 -2.35 -0.06 0.00 0.71 0.00 0.00 54.79 53.29 2kjp n ASP 73 Cb 0.49 -0.56 0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kjp n GLU 74 N 0.25 0.52 0.00 -1.24 2.13 -0.14 -5.00 120.64 117.15 2kjp n GLU 74 Ca 0.11 -1.27 0.09 0.00 0.66 0.00 0.00 57.16 56.75 2kjp n GLU 74 Cb 0.61 -0.72 0.39 0.00 0.27 0.00 0.00 31.44 32.00 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kjp n PRO 75 N 1.00 0.03 0.00 5.31 -0.04 -1.14 -2.39 135.00 137.76 2kjp n PRO 75 Ca 0.03 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 2kjp n PRO 75 Cb 0.70 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.27 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 -1.48 0.00 -4.00 3.54 2.03 -1.26 -4.85 116.55 110.53 2kjp n ASP 76 Ca 0.05 0.43 -0.09 0.00 0.52 0.00 0.00 54.79 55.70 2kjp n ASP 76 Cb 0.20 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 40.04 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 -2.95 0.92 0.01 -0.67 3.52 -1.01 -5.18 118.95 113.59 2kjp s ARG 77 Ca 0.15 -1.19 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 2kjp s ARG 77 Cb 0.18 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 2kjp s ARG 77 CO 0.50 -0.28 -0.03 0.00 -0.81 0.00 0.00 175.30 174.68 2kjp s ALA 78 N -3.95 0.16 0.48 6.12 0.00 -1.26 -4.42 121.76 118.89 2kjp s ALA 78 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2kjp s ALA 78 Cb 0.06 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2kjp s ALA 78 CO -0.04 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2kjp n GLY 79 N 2.19 -3.27 2.90 0.00 0.00 -1.25 -4.81 105.19 100.94 2kjp n GLY 79 Ca -0.19 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.70-10.09 -2.03 -0.61 5.41 -1.26 -4.88 119.36 102.19 2kjp n ILE 80 Ca -0.07 1.13 -0.42 0.00 1.00 0.00 0.00 62.75 64.39 2kjp n ILE 80 Cb 0.52 -6.50 -0.03 0.00 -0.71 0.00 0.00 39.64 32.92 2kjp n ILE 80 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2kjp s GLY 81 N -2.04 1.90 0.08 7.39 0.00 -1.26 -4.97 107.32 108.41 2kjp s GLY 81 Ca 0.16 1.28 -0.30 0.00 0.00 0.00 0.00 44.72 45.86 2kjp s GLY 81 CO 0.73 2.44 1.03 0.14 0.00 0.00 0.00 173.10 177.44 2kjp s VAL 82 N 0.81 4.42 -1.54 1.40 1.01 -1.26 -4.90 120.40 120.35 2kjp s VAL 82 Ca 0.65 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.52 2kjp s VAL 82 Cb -0.41 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2kjp s VAL 82 CO 0.34 0.23 0.43 -0.24 0.00 0.00 0.00 175.10 175.86 2kjp n SER 83 N 3.23 0.26 -2.92 3.32 2.88 -1.26 -4.76 113.62 114.37 2kjp n SER 83 Ca 0.05 -1.11 -0.22 0.00 -1.33 0.00 0.00 58.87 56.25 2kjp n SER 83 Cb 0.49 -0.13 0.03 0.00 -0.75 0.00 0.00 64.21 63.85 2kjp n SER 83 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kjp n LEU 84 N -0.16 -2.61 -3.04 2.46 7.94 -1.26 -4.94 117.00 115.38 2kjp n LEU 84 Ca 0.00 -0.26 0.02 0.00 -1.11 0.00 0.00 56.01 54.67 2kjp n LEU 84 Cb 0.06 -2.97 -0.00 0.00 0.53 0.00 0.00 43.42 41.04 2kjp n LEU 84 CO 0.00 0.18 0.28 -0.70 -1.11 0.00 0.00 177.39 176.04 2kjp s GLU 85 N -5.62 0.46 0.29 1.96 2.56 -1.26 -5.03 118.70 112.06 2kjp s GLU 85 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.22 2kjp s GLU 85 Cb -0.12 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.10 2kjp s GLU 85 CO 0.33 -0.72 0.00 1.58 -0.56 0.00 0.00 175.26 175.89 2kjp n HIS 86 N 4.42 -3.82 -1.25 5.30 -0.00 -1.26 -5.14 115.22 113.47 2kjp n HIS 86 Ca 0.08 1.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.93 2kjp n HIS 86 Cb 0.59 2.68 0.11 0.00 -0.12 0.00 0.00 29.99 33.24 2kjp n HIS 86 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kjp s HIS 87 N -2.00 1.97 0.00 1.57 -3.43 -1.26 -4.89 115.29 107.25 2kjp s HIS 87 Ca 0.00 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 55.90 2kjp s HIS 87 Cb 0.00 -3.43 0.00 0.00 -1.43 0.00 0.00 32.58 27.72 2kjp s HIS 87 CO 0.00 -2.63 0.00 -2.39 -2.00 0.00 0.00 174.74 167.72 2kjp n HIS 88 N -3.11 0.00 -0.07 0.38 1.44 -1.26 -4.97 115.22 107.62 2kjp n HIS 88 Ca 0.13 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.74 2kjp n HIS 88 Cb 0.51 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 2kjp n HIS 88 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kjp h HIS 89 N 0.00 0.35 -2.19 -1.40 2.76 -2.09 -3.46 115.15 109.12 2kjp h HIS 89 Ca 0.00 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 2kjp h HIS 89 Cb 0.00 -0.11 -0.15 0.00 1.55 0.00 0.00 27.41 28.69 2kjp h HIS 89 CO 0.00 0.30 0.53 -1.58 -1.30 0.00 0.00 177.93 175.88 2kjp s HIS 90 N -5.87 -0.31 0.00 5.26 5.65 -1.26 -5.35 115.29 113.41 2kjp s HIS 90 Ca -0.13 0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.36 2kjp s HIS 90 Cb 0.09 0.54 0.00 0.00 -1.18 0.00 0.00 32.58 32.03 2kjp s HIS 90 CO 0.71 -0.52 0.00 1.58 -0.65 0.00 0.00 174.74 175.86