#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 n PRO 44 N 0.00 0.19 -3.73 1.61 -0.02 -1.26 -5.01 135.00 126.78 2kj1 n PRO 44 Ca 0.00 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.42 2kj1 n PRO 44 Cb 0.00 -1.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 2kj1 n PRO 44 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kj1 s ASN 45 N -1.23 0.05 0.63 2.55 3.84 -1.26 -5.00 114.94 114.53 2kj1 s ASN 45 Ca 0.60 0.29 0.16 0.00 0.21 0.00 0.00 52.86 54.13 2kj1 s ASN 45 Cb -0.38 0.19 0.59 0.00 -0.55 0.00 0.00 41.25 41.10 2kj1 s ASN 45 CO 0.63 -0.17 1.21 0.07 -2.79 0.00 0.00 177.10 176.06 2kj1 h LYS 46 N 7.45 0.00 0.00 0.43 2.10 -2.01 1.45 116.57 125.99 2kj1 h LYS 46 Ca -0.38 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.14 2kj1 h LYS 46 Cb 1.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.45 2kj1 h LYS 46 CO 0.38 0.00 -0.63 0.93 -2.00 0.00 0.00 179.45 178.12 2kj1 h GLU 47 N 0.00 0.00 0.04 0.07 5.08 -1.99 -2.76 114.58 115.02 2kj1 h GLU 47 Ca 0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2kj1 h GLU 47 Cb 2.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.74 2kj1 h GLU 47 CO -0.00 0.63 -0.53 1.15 -1.00 0.00 0.00 179.01 179.26 2kj1 h THR 48 N 0.00 1.51 -0.62 1.13 2.02 0.16 -2.32 112.91 114.79 2kj1 h THR 48 Ca -0.01 -2.20 -0.00 0.00 0.77 0.00 0.00 66.41 64.97 2kj1 h THR 48 Cb 1.13 2.87 -0.03 0.00 -1.74 0.00 0.00 68.15 70.38 2kj1 h THR 48 CO 0.08 0.62 0.39 0.16 0.37 0.00 0.00 175.52 177.14 2kj1 h ILE 49 N -0.35 1.18 -0.70 3.11 -0.00 -1.61 -1.79 117.51 117.35 2kj1 h ILE 49 Ca -0.08 -0.37 -0.01 0.00 -0.00 0.00 0.00 64.86 64.40 2kj1 h ILE 49 Cb 1.31 0.30 -0.03 0.00 -0.00 0.00 0.00 36.82 38.39 2kj1 h ILE 49 CO 0.10 0.18 0.40 -1.13 -0.00 0.00 0.00 178.15 177.70 2kj1 h ASN 50 N 0.84 0.85 0.62 2.16 -1.24 -1.55 -1.20 115.58 116.06 2kj1 h ASN 50 Ca 0.23 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 2kj1 h ASN 50 Cb -0.05 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.79 2kj1 h ASN 50 CO -0.04 0.67 -0.36 -0.09 -1.29 0.00 0.00 177.43 176.31 2kj1 h ARG 51 N 0.97 -0.88 -0.89 6.67 2.43 -0.74 0.58 114.38 122.52 2kj1 h ARG 51 Ca 0.25 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 2kj1 h ARG 51 Cb -0.00 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.66 2kj1 h ARG 51 CO -0.04 -0.58 0.50 1.05 -1.51 0.00 0.00 179.97 179.39 2kj1 h GLU 52 N -0.91 0.73 -0.09 0.20 4.11 -1.38 0.26 114.58 117.51 2kj1 h GLU 52 Ca -0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 2kj1 h GLU 52 Cb 0.72 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2kj1 h GLU 52 CO 0.10 0.48 -0.24 0.28 0.07 0.00 0.00 179.01 179.70 2kj1 h VAL 53 N 0.75 1.22 0.43 -1.06 2.07 -0.85 -0.61 116.25 118.20 2kj1 h VAL 53 Ca 0.47 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2kj1 h VAL 53 Cb 0.58 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2kj1 h VAL 53 CO -0.32 0.30 -0.21 -1.28 0.02 0.00 0.00 177.57 176.09 2kj1 h SER 54 N 0.14 -0.49 -0.62 0.57 0.87 0.36 -2.79 113.55 111.59 2kj1 h SER 54 Ca 0.02 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2kj1 h SER 54 Cb 0.51 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 2kj1 h SER 54 CO 0.04 -0.12 0.41 0.40 -0.53 0.00 0.00 176.83 177.03 2kj1 h ILE 55 N -0.92 0.97 -0.10 2.23 2.04 -1.17 -2.37 117.51 118.18 2kj1 h ILE 55 Ca -0.06 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2kj1 h ILE 55 Cb 0.57 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2kj1 h ILE 55 CO 0.10 0.10 -0.52 0.25 0.00 0.00 0.00 178.15 178.08 2kj1 h LEU 56 N 0.55 -1.63 -0.64 1.44 7.12 -0.85 0.67 115.31 121.97 2kj1 h LEU 56 Ca 0.28 0.19 0.09 0.00 0.13 0.00 0.00 57.88 58.56 2kj1 h LEU 56 Cb 0.36 0.63 -0.07 0.00 -0.53 0.00 0.00 40.66 41.06 2kj1 h LEU 56 CO -0.08 -0.47 0.29 -0.09 -0.13 0.00 0.00 178.44 177.96 2kj1 h ARG 57 N -0.57 0.49 -0.85 1.25 9.65 -1.19 -0.88 114.38 122.29 2kj1 h ARG 57 Ca 0.03 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2kj1 h ARG 57 Cb 0.66 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 2kj1 h ARG 57 CO -0.40 0.33 0.40 1.25 2.80 0.00 0.00 179.97 184.35 2kj1 h HIS 58 N 0.51 1.23 0.19 2.20 2.76 -1.01 -2.78 115.15 118.24 2kj1 h HIS 58 Ca 0.32 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2kj1 h HIS 58 Cb 0.34 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2kj1 h HIS 58 CO -0.13 0.89 -0.32 1.03 -1.30 0.00 0.00 177.93 178.10 2kj1 h SER 59 N 1.21 -0.89 -0.68 3.26 0.87 0.17 -1.79 113.55 115.70 2kj1 h SER 59 Ca 0.29 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 61.09 2kj1 h SER 59 Cb 0.13 0.33 -0.11 0.00 -0.44 0.00 0.00 62.40 62.31 2kj1 h SER 59 CO -0.04 -0.42 0.09 0.22 -0.53 0.00 0.00 176.83 176.15 2kj1 h TYR 60 N -0.58 0.12 -0.31 2.24 3.20 -1.24 -1.68 116.97 118.71 2kj1 h TYR 60 Ca 0.01 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2kj1 h TYR 60 Cb 0.58 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2kj1 h TYR 60 CO -0.25 -0.12 -0.37 0.37 -1.64 0.00 0.00 178.16 176.14 2kj1 h GLN 61 N 0.19 -0.23 -0.85 1.82 4.15 -1.06 0.19 115.11 119.32 2kj1 h GLN 61 Ca 0.37 0.02 0.22 0.00 0.77 0.00 0.00 58.65 60.02 2kj1 h GLN 61 Cb 0.61 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.22 2kj1 h GLN 61 CO -0.52 -0.16 0.19 0.87 -1.93 0.00 0.00 178.83 177.29 2kj1 h LYS 62 N -0.24 0.19 0.14 1.69 1.79 -1.02 -1.14 116.57 117.98 2kj1 h LYS 62 Ca 0.05 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2kj1 h LYS 62 Cb 0.39 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2kj1 h LYS 62 CO -0.42 0.13 -0.19 0.93 -1.08 0.00 0.00 179.45 178.82 2kj1 h GLU 63 N 0.20 -0.32 -0.53 3.15 4.39 -0.24 0.21 114.58 121.43 2kj1 h GLU 63 Ca 0.52 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.35 2kj1 h GLU 63 Cb 1.00 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.63 2kj1 h GLU 63 CO -0.65 -0.21 -0.09 0.97 -1.16 0.00 0.00 179.01 177.87 2kj1 h ILE 64 N -0.33 0.50 0.00 3.13 6.09 -0.75 1.82 117.51 127.96 2kj1 h ILE 64 Ca -0.02 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 2kj1 h ILE 64 Cb 0.30 0.46 0.00 0.00 0.47 0.00 0.00 36.82 38.05 2kj1 h ILE 64 CO -0.05 0.01 0.00 0.00 -3.07 0.00 0.00 178.15 175.04 2kj1 n GLN 65 N -5.34 0.07 -0.06 2.19 6.02 -0.48 -1.82 117.38 117.95 2kj1 n GLN 65 Ca 0.06 0.55 -0.12 0.00 -0.01 0.00 0.00 57.00 57.47 2kj1 n GLN 65 Cb 0.29 -1.73 -0.11 0.00 1.02 0.00 0.00 30.24 29.71 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kj1 h ALA 66 N 2.04 -0.01 -0.27 -1.58 0.00 0.61 -2.85 119.26 117.21 2kj1 h ALA 66 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.56 2kj1 h ALA 66 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kj1 h ALA 66 CO 0.00 -0.02 0.23 -0.22 0.00 0.00 0.00 179.25 179.24 2kj1 h LYS 67 N -0.97 0.00 0.60 0.00 3.64 -0.77 0.19 116.57 119.25 2kj1 h LYS 67 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kj1 h LYS 67 Cb 0.85 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2kj1 h LYS 67 CO 0.00 0.00 -0.29 1.49 -2.27 0.00 0.00 179.45 178.38 2kj1 h GLU 68 N 0.00 -0.77 -0.00 1.90 4.81 -1.46 0.17 114.58 119.23 2kj1 h GLU 68 Ca 0.13 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2kj1 h GLU 68 Cb 0.58 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2kj1 h GLU 68 CO -0.00 -0.51 0.00 1.15 -0.73 0.00 0.00 179.01 178.92 2kj1 h THR 69 N -1.04 0.78 0.54 0.32 2.02 -1.16 -2.44 112.91 111.93 2kj1 h THR 69 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2kj1 h THR 69 Cb 0.61 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2kj1 h THR 69 CO 0.13 0.00 -0.26 -0.03 0.37 0.00 0.00 175.52 175.73 2kj1 h MET 70 N 0.00 -0.70 -0.85 6.66 4.05 -0.43 -1.97 114.93 121.69 2kj1 h MET 70 Ca 0.00 0.05 0.25 0.00 -0.28 0.00 0.00 59.70 59.71 2kj1 h MET 70 Cb 0.00 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 2kj1 h MET 70 CO -0.00 -0.47 0.81 -0.22 0.23 0.00 0.00 176.91 177.26 2kj1 h LYS 71 N -1.11 0.00 -0.01 0.39 3.11 -0.37 0.39 116.57 118.96 2kj1 h LYS 71 Ca -0.07 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 2kj1 h LYS 71 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2kj1 h LYS 71 CO 0.12 0.00 -0.05 0.93 -2.81 0.00 0.00 179.45 177.64 2kj1 h GLU 72 N 0.00 0.06 -1.01 1.90 5.08 -1.17 -0.69 114.58 118.75 2kj1 h GLU 72 Ca 0.40 -0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.95 2kj1 h GLU 72 Cb 2.02 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 31.17 2kj1 h GLU 72 CO -0.00 0.69 0.63 0.28 -1.00 0.00 0.00 179.01 179.60 2kj1 h VAL 73 N -0.57 0.60 0.08 3.13 2.07 0.54 -0.99 116.25 121.11 2kj1 h VAL 73 Ca -0.00 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 2kj1 h VAL 73 Cb 0.70 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2kj1 h VAL 73 CO 0.01 0.10 -0.48 -0.07 0.02 0.00 0.00 177.57 177.15 2kj1 h LEU 74 N 0.56 0.30 -1.44 2.57 3.38 -1.43 -1.93 115.31 117.31 2kj1 h LEU 74 Ca 0.59 -0.94 0.31 0.00 0.09 0.00 0.00 57.88 57.93 2kj1 h LEU 74 Cb 1.21 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 2kj1 h LEU 74 CO -0.36 1.22 0.73 0.28 0.09 0.00 0.00 178.44 180.40 2kj1 h SER 75 N -0.58 0.35 0.08 -0.43 0.02 0.00 0.24 113.55 113.24 2kj1 h SER 75 Ca -0.08 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kj1 h SER 75 Cb 1.36 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2kj1 h SER 75 CO 0.09 0.01 -0.04 0.44 -1.14 0.00 0.00 176.83 176.20 2kj1 h ASP 76 N 0.28 -0.09 -0.81 3.07 3.32 -1.24 -2.45 116.42 118.50 2kj1 h ASP 76 Ca 0.65 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.82 2kj1 h ASP 76 Cb 1.84 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 41.27 2kj1 h ASP 76 CO -0.30 0.40 -0.30 -1.13 -1.72 0.00 0.00 179.24 176.19 2kj1 h ASN 77 N -1.03 -1.10 -0.19 6.45 -0.73 -0.43 0.17 115.58 118.72 2kj1 h ASN 77 Ca -0.01 0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 2kj1 h ASN 77 Cb 0.11 0.61 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2kj1 h ASN 77 CO 0.02 -0.29 0.11 0.24 -0.37 0.00 0.00 177.43 177.14 2kj1 h MET 78 N -0.05 0.26 -0.69 6.67 2.86 -0.71 -1.86 114.93 121.41 2kj1 h MET 78 Ca 0.33 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.09 2kj1 h MET 78 Cb 0.59 -0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.07 2kj1 h MET 78 CO -0.85 0.24 -0.12 1.49 1.06 0.00 0.00 176.91 178.73 2kj1 h GLU 79 N 0.21 0.03 -0.27 1.72 4.57 -0.19 0.61 114.58 121.26 2kj1 h GLU 79 Ca 0.07 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2kj1 h GLU 79 Cb 0.05 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2kj1 h GLU 79 CO -0.01 0.02 0.13 0.28 -1.18 0.00 0.00 179.01 178.24 2kj1 h VAL 80 N 0.03 1.15 0.78 0.32 2.07 -1.00 0.15 116.25 119.74 2kj1 h VAL 80 Ca 0.34 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2kj1 h VAL 80 Cb 0.55 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2kj1 h VAL 80 CO -0.68 0.15 -0.49 0.25 0.02 0.00 0.00 177.57 176.82 2kj1 h LEU 81 N 0.30 -1.24 0.00 2.57 7.12 0.06 0.79 115.31 124.91 2kj1 h LEU 81 Ca 0.09 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2kj1 h LEU 81 Cb 0.13 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2kj1 h LEU 81 CO -0.01 -0.74 0.00 -1.20 -0.13 0.00 0.00 178.44 176.35 2kj1 n SER 82 N -5.54 0.00 0.06 1.25 7.64 0.18 -2.27 113.62 114.94 2kj1 n SER 82 Ca -0.15 0.40 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2kj1 n SER 82 Cb 0.50 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2kj1 n SER 82 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kj1 h ASP 83 N 0.00 -0.15 0.56 6.43 1.82 0.18 -3.35 116.42 121.91 2kj1 h ASP 83 Ca 0.00 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kj1 h ASP 83 Cb 0.04 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2kj1 h ASP 83 CO 0.00 -0.02 -0.35 0.45 -1.61 0.00 0.00 179.24 177.71 2kj1 h HIS 84 N -0.35 -0.93 -2.69 0.28 -0.00 -1.29 -3.48 115.15 106.69 2kj1 h HIS 84 Ca -0.02 -0.01 0.24 0.00 -0.00 0.00 0.00 60.37 60.59 2kj1 h HIS 84 Cb 0.13 0.33 -0.12 0.00 -0.00 0.00 0.00 27.41 27.76 2kj1 h HIS 84 CO 0.07 -0.53 -0.76 1.51 -0.00 0.00 0.00 177.93 178.21 2kj1 n ILE 85 N -5.49 -0.38 -1.80 2.45 3.06 -0.96 -4.60 119.36 111.65 2kj1 n ILE 85 Ca -0.12 0.52 -0.42 0.00 -2.50 0.00 0.00 62.75 60.23 2kj1 n ILE 85 Cb 0.38 -0.85 -0.03 0.00 0.54 0.00 0.00 39.64 39.69 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2kj1 s VAL 86 N -3.99 2.18 -0.04 9.51 0.11 -1.26 -3.95 120.40 122.96 2kj1 s VAL 86 Ca 0.00 0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 2kj1 s VAL 86 Cb 0.00 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2kj1 s VAL 86 CO 0.00 0.01 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.01 2kj1 s ILE 87 N 0.76 1.19 0.16 7.04 -1.09 -0.85 -4.75 121.20 123.66 2kj1 s ILE 87 Ca 0.70 -0.59 -0.33 0.00 -2.23 0.00 0.00 60.65 58.19 2kj1 s ILE 87 Cb -0.48 -1.03 -0.13 0.00 -1.58 0.00 0.00 42.46 39.24 2kj1 s ILE 87 CO 0.37 0.35 1.62 -0.62 -1.23 0.00 0.00 174.94 175.43 2kj1 n GLU 88 N 3.17 2.29 0.00 2.79 1.02 -1.26 0.19 120.64 128.85 2kj1 n GLU 88 Ca -0.18 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2kj1 n GLU 88 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kj1 n GLY 89 N 3.57 2.17 2.58 0.62 0.00 -1.26 -4.64 105.19 108.23 2kj1 n GLY 89 Ca 0.17 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2kj1 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kj1 n LEU 90 N 0.00 3.69 -4.60 0.99 7.94 0.65 -5.04 117.00 120.63 2kj1 n LEU 90 Ca 0.00 -5.47 -0.43 0.00 -1.11 0.00 0.00 56.01 49.00 2kj1 n LEU 90 Cb 0.00 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.43 2kj1 n LEU 90 CO 0.00 2.18 1.49 -0.94 -1.11 0.00 0.00 177.39 179.01 2kj1 s SER 91 N -2.76 5.95 0.28 1.96 1.04 0.52 -2.02 113.70 118.67 2kj1 s SER 91 Ca 0.43 1.22 -0.00 0.00 0.48 0.00 0.00 55.95 58.07 2kj1 s SER 91 Cb 0.21 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 64.29 2kj1 s SER 91 CO -0.07 -1.68 1.88 0.00 0.98 0.00 0.00 173.24 174.36 2kj1 h ALA 92 N 12.59 1.47 0.04 5.32 0.00 -1.80 0.30 119.26 137.18 2kj1 h ALA 92 Ca -0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kj1 h ALA 92 Cb 1.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kj1 h ALA 92 CO 1.04 0.36 -0.02 0.93 0.00 0.00 0.00 179.25 181.56 2kj1 h GLU 93 N 1.08 -0.05 -0.91 0.00 5.08 -1.88 -1.65 114.58 116.25 2kj1 h GLU 93 Ca 0.43 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 59.01 2kj1 h GLU 93 Cb 0.25 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.35 2kj1 h GLU 93 CO -0.18 -0.04 -0.08 1.49 -1.00 0.00 0.00 179.01 179.20 2kj1 h GLU 94 N -0.06 0.03 -0.11 2.33 4.81 -1.90 0.24 114.58 119.93 2kj1 h GLU 94 Ca -0.01 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kj1 h GLU 94 Cb 0.04 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2kj1 h GLU 94 CO 0.01 0.02 -0.28 0.82 -0.73 0.00 0.00 179.01 178.84 2kj1 h ILE 95 N 0.03 0.00 -0.93 2.32 2.04 -0.26 -0.46 117.51 120.25 2kj1 h ILE 95 Ca 0.49 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.58 2kj1 h ILE 95 Cb 0.88 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.79 2kj1 h ILE 95 CO -0.87 0.00 -0.09 -0.38 0.00 0.00 0.00 178.15 176.81 2kj1 n ILE 96 N -4.06 -0.39 0.12 -0.67 5.41 0.04 -0.29 119.36 119.52 2kj1 n ILE 96 Ca -0.03 2.09 -0.11 0.00 1.00 0.00 0.00 62.75 65.70 2kj1 n ILE 96 Cb 0.19 -2.99 -0.07 0.00 -0.71 0.00 0.00 39.64 36.07 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2kj1 h LYS 97 N 0.00 -0.55 -0.86 0.38 3.11 -0.72 -0.16 116.57 117.77 2kj1 h LYS 97 Ca 0.51 0.04 0.22 0.00 -2.81 0.00 0.00 60.65 58.61 2kj1 h LYS 97 Cb 0.95 0.12 -0.16 0.00 -1.00 0.00 0.00 32.23 32.15 2kj1 h LYS 97 CO -0.92 -0.36 -0.04 -1.33 -2.81 0.00 0.00 179.45 173.99 2kj1 n MET 98 N -4.43 -0.07 0.19 1.90 2.81 0.60 0.29 117.12 118.41 2kj1 n MET 98 Ca -0.07 1.31 0.13 0.00 -1.81 0.00 0.00 57.70 57.27 2kj1 n MET 98 Cb 0.29 -2.05 0.38 0.00 -0.71 0.00 0.00 33.22 31.13 2kj1 n MET 98 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2kj1 h GLY 99 N 0.00 0.00 2.00 3.03 0.00 -1.05 -3.04 103.07 104.02 2kj1 h GLY 99 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.71 2kj1 h GLY 99 CO -0.83 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 175.96 2kj1 h GLU 100 N 0.00 0.00 -0.10 4.80 4.39 0.62 -3.05 114.58 121.24 2kj1 h GLU 100 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kj1 h GLU 100 Cb 0.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2kj1 h GLU 100 CO 0.00 0.58 0.00 1.79 -1.16 0.00 0.00 179.01 180.22 2kj1 h THR 101 N 0.00 1.25 -2.54 1.13 1.35 -1.18 -3.41 112.91 109.51 2kj1 h THR 101 Ca -0.01 -0.78 -0.45 0.00 -0.55 0.00 0.00 66.41 64.62 2kj1 h THR 101 Cb 1.26 1.57 -0.37 0.00 -1.73 0.00 0.00 68.15 68.88 2kj1 h THR 101 CO 0.08 0.22 -0.72 -0.69 -0.25 0.00 0.00 175.52 174.16 2kj1 s VAL 102 N -5.00 -0.21 -2.00 6.82 1.01 -1.22 -5.15 120.40 114.65 2kj1 s VAL 102 Ca -0.14 -0.64 0.24 0.00 0.00 0.00 0.00 61.98 61.44 2kj1 s VAL 102 Cb 0.05 -0.97 0.68 0.00 0.00 0.00 0.00 36.38 36.13 2kj1 s VAL 102 CO 0.70 -0.61 1.79 -0.11 0.00 0.00 0.00 175.10 176.86