#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 0.00 1.61 -0.02 -1.26 -4.96 135.00 130.56 2kj1 n PRO 44 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2kj1 n PRO 44 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2kj1 n PRO 44 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kj1 n ASN 45 N 1.51 0.00 0.23 2.55 2.85 -1.26 -4.94 115.26 116.20 2kj1 n ASN 45 Ca 0.08 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.57 2kj1 n ASN 45 Cb 0.49 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.61 2kj1 n ASN 45 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2kj1 h LYS 46 N 0.00 0.00 0.00 1.20 1.57 -2.01 1.22 116.57 118.55 2kj1 h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kj1 h LYS 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kj1 h LYS 46 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 179.93 2kj1 h GLU 47 N 0.00 0.00 0.11 3.15 -0.00 -1.93 -2.63 114.58 113.28 2kj1 h GLU 47 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 2kj1 h GLU 47 Cb 1.52 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.26 2kj1 h GLU 47 CO 0.00 0.00 -1.50 1.15 -0.00 0.00 0.00 179.01 178.66 2kj1 h THR 48 N 0.00 0.96 -0.67 -1.06 2.02 0.12 -2.73 112.91 111.54 2kj1 h THR 48 Ca 0.00 -2.38 -0.06 0.00 0.77 0.00 0.00 66.41 64.74 2kj1 h THR 48 Cb 0.72 2.65 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 2kj1 h THR 48 CO 0.00 0.71 0.18 0.16 0.37 0.00 0.00 175.52 176.95 2kj1 h ILE 49 N -0.28 1.25 -0.38 3.11 -0.00 -1.63 -2.15 117.51 117.43 2kj1 h ILE 49 Ca -0.33 -0.90 0.01 0.00 -0.00 0.00 0.00 64.86 63.65 2kj1 h ILE 49 Cb 1.78 0.54 -0.02 0.00 -0.00 0.00 0.00 36.82 39.12 2kj1 h ILE 49 CO 0.05 0.35 0.23 -1.13 -0.00 0.00 0.00 178.15 177.65 2kj1 h ASN 50 N 1.00 0.39 -0.73 2.16 -0.73 -1.58 0.28 115.58 116.37 2kj1 h ASN 50 Ca 0.22 -0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.49 2kj1 h ASN 50 Cb 0.32 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.77 2kj1 h ASN 50 CO -0.00 0.28 0.48 -0.09 -0.37 0.00 0.00 177.43 177.73 2kj1 h ARG 51 N 0.47 0.54 -0.08 6.67 2.43 -1.10 0.40 114.38 123.73 2kj1 h ARG 51 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2kj1 h ARG 51 Cb -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2kj1 h ARG 51 CO -0.05 0.36 -0.18 1.49 -1.51 0.00 0.00 179.97 180.08 2kj1 h GLU 52 N 0.56 0.26 0.00 0.20 4.81 -0.43 -2.74 114.58 117.24 2kj1 h GLU 52 Ca 0.34 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2kj1 h GLU 52 Cb 0.57 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 2kj1 h GLU 52 CO -0.12 0.78 -0.05 0.28 -0.73 0.00 0.00 179.01 179.16 2kj1 h VAL 53 N -0.22 0.27 0.40 0.32 2.07 0.80 -1.29 116.25 118.60 2kj1 h VAL 53 Ca -0.00 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2kj1 h VAL 53 Cb 0.78 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2kj1 h VAL 53 CO 0.04 0.05 -0.19 0.28 0.02 0.00 0.00 177.57 177.77 2kj1 h SER 54 N 0.00 -0.46 -0.96 0.57 0.02 -0.05 -2.82 113.55 109.85 2kj1 h SER 54 Ca -0.00 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.09 2kj1 h SER 54 Cb 0.26 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 2kj1 h SER 54 CO 0.01 -0.09 0.61 0.40 -1.14 0.00 0.00 176.83 176.62 2kj1 h ILE 55 N -1.01 0.90 -0.16 3.27 2.04 -1.39 -2.43 117.51 118.74 2kj1 h ILE 55 Ca -0.05 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2kj1 h ILE 55 Cb 0.41 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2kj1 h ILE 55 CO 0.09 0.16 -0.18 0.25 0.00 0.00 0.00 178.15 178.48 2kj1 h LEU 56 N 0.90 -0.60 -0.87 1.44 7.12 -1.21 0.54 115.31 122.63 2kj1 h LEU 56 Ca 0.48 0.08 0.21 0.00 0.13 0.00 0.00 57.88 58.78 2kj1 h LEU 56 Cb 0.55 0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 40.81 2kj1 h LEU 56 CO -0.24 -0.12 0.33 0.03 -0.13 0.00 0.00 178.44 178.31 2kj1 h ARG 57 N -0.11 0.34 -0.13 1.25 3.08 -1.18 0.11 114.38 117.75 2kj1 h ARG 57 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kj1 h ARG 57 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2kj1 h ARG 57 CO -0.20 0.23 0.08 1.25 -1.07 0.00 0.00 179.97 180.26 2kj1 h HIS 58 N 0.35 0.17 -0.44 3.04 2.76 -0.57 -2.71 115.15 117.75 2kj1 h HIS 58 Ca 0.53 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.79 2kj1 h HIS 58 Cb 1.00 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.81 2kj1 h HIS 58 CO -0.18 0.12 -0.28 0.77 -1.30 0.00 0.00 177.93 177.07 2kj1 h SER 59 N 0.17 -0.94 -0.38 3.26 0.02 0.26 -1.00 113.55 114.92 2kj1 h SER 59 Ca 0.05 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 2kj1 h SER 59 Cb -0.00 0.47 -0.09 0.00 0.14 0.00 0.00 62.40 62.92 2kj1 h SER 59 CO -0.01 -0.29 -0.43 0.22 -1.14 0.00 0.00 176.83 175.19 2kj1 h TYR 60 N -0.19 -1.24 -0.68 3.45 3.20 -1.12 -1.69 116.97 118.70 2kj1 h TYR 60 Ca 0.20 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.20 2kj1 h TYR 60 Cb 0.51 0.60 -0.09 0.00 1.54 0.00 0.00 36.73 39.29 2kj1 h TYR 60 CO -0.52 -0.44 -0.48 1.96 -1.64 0.00 0.00 178.16 177.04 2kj1 h GLN 61 N -0.34 -0.10 -0.79 1.82 4.20 -0.94 0.22 115.11 119.18 2kj1 h GLN 61 Ca 0.13 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.99 2kj1 h GLN 61 Cb 0.59 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.25 2kj1 h GLN 61 CO -0.56 -0.06 -0.32 -0.22 -0.67 0.00 0.00 178.83 176.99 2kj1 h LYS 62 N -0.10 -0.07 -0.02 1.46 1.63 -0.94 0.10 116.57 118.63 2kj1 h LYS 62 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2kj1 h LYS 62 Cb 0.38 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2kj1 h LYS 62 CO -0.69 -0.04 -0.04 0.93 -3.45 0.00 0.00 179.45 176.16 2kj1 h GLU 63 N -0.07 -0.03 -0.29 1.90 5.08 -0.09 0.50 114.58 121.58 2kj1 h GLU 63 Ca 0.31 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 2kj1 h GLU 63 Cb 0.58 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 2kj1 h GLU 63 CO -0.83 -0.02 -0.27 0.97 -1.00 0.00 0.00 179.01 177.86 2kj1 h ILE 64 N -0.03 0.34 0.00 3.13 2.10 -0.87 1.47 117.51 123.65 2kj1 h ILE 64 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2kj1 h ILE 64 Cb 0.04 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 2kj1 h ILE 64 CO -0.04 0.00 0.12 0.00 -1.08 0.00 0.00 178.15 177.15 2kj1 n GLN 65 N -5.39 0.03 -0.03 2.19 6.02 0.29 -0.91 117.38 119.57 2kj1 n GLN 65 Ca -0.00 0.45 -0.18 0.00 -0.01 0.00 0.00 57.00 57.26 2kj1 n GLN 65 Cb 0.31 -1.72 -0.13 0.00 1.02 0.00 0.00 30.24 29.72 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 1.58 0.03 -0.19 -1.58 0.00 0.71 -2.82 119.26 117.00 2kj1 h ALA 66 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.24 2kj1 h ALA 66 Cb 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kj1 h ALA 66 CO 0.00 0.31 0.17 -0.22 0.00 0.00 0.00 179.25 179.51 2kj1 h LYS 67 N -0.73 0.00 0.24 0.00 3.64 -0.55 0.41 116.57 119.58 2kj1 h LYS 67 Ca -0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2kj1 h LYS 67 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kj1 h LYS 67 CO 0.02 0.00 -0.11 1.49 -2.27 0.00 0.00 179.45 178.58 2kj1 h GLU 68 N 0.00 -0.31 -0.27 1.90 4.81 -1.50 0.83 114.58 120.04 2kj1 h GLU 68 Ca 0.09 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2kj1 h GLU 68 Cb 0.43 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2kj1 h GLU 68 CO -0.00 -0.20 0.22 1.15 -0.73 0.00 0.00 179.01 179.44 2kj1 h THR 69 N -0.55 0.72 0.35 0.32 2.02 -1.20 -2.07 112.91 112.50 2kj1 h THR 69 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2kj1 h THR 69 Cb 0.24 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2kj1 h THR 69 CO 0.05 0.00 -0.17 -0.03 0.37 0.00 0.00 175.52 175.75 2kj1 h MET 70 N 0.00 -0.45 -0.31 6.66 1.85 -0.15 -2.23 114.93 120.30 2kj1 h MET 70 Ca 0.13 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.34 2kj1 h MET 70 Cb 0.56 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 2kj1 h MET 70 CO -0.00 -0.14 0.57 0.87 -0.40 0.00 0.00 176.91 177.81 2kj1 h LYS 71 N -0.96 0.00 0.07 0.39 1.57 -0.16 -0.33 116.57 117.15 2kj1 h LYS 71 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kj1 h LYS 71 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kj1 h LYS 71 CO 0.08 0.00 -0.03 0.93 -0.57 0.00 0.00 179.45 179.85 2kj1 h GLU 72 N 0.00 -0.09 -1.02 3.15 3.07 -1.10 -2.25 114.58 116.34 2kj1 h GLU 72 Ca 0.15 0.01 0.27 0.00 -0.50 0.00 0.00 59.36 59.28 2kj1 h GLU 72 Cb 1.28 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.15 2kj1 h GLU 72 CO -0.00 0.38 0.69 0.28 -1.40 0.00 0.00 179.01 178.96 2kj1 h VAL 73 N -0.95 0.53 0.02 3.13 2.07 -0.46 -1.47 116.25 119.12 2kj1 h VAL 73 Ca -0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2kj1 h VAL 73 Cb 0.52 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2kj1 h VAL 73 CO 0.02 0.05 -0.11 -0.07 0.02 0.00 0.00 177.57 177.47 2kj1 h LEU 74 N 0.25 0.07 -1.51 2.57 3.38 -1.51 -1.80 115.31 116.76 2kj1 h LEU 74 Ca 0.54 -0.97 0.31 0.00 0.09 0.00 0.00 57.88 57.85 2kj1 h LEU 74 Cb 1.62 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.26 2kj1 h LEU 74 CO -0.17 1.03 0.74 0.77 0.09 0.00 0.00 178.44 180.90 2kj1 h SER 75 N -0.88 0.32 0.04 -0.43 4.64 -0.66 0.44 113.55 117.01 2kj1 h SER 75 Ca -0.02 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kj1 h SER 75 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2kj1 h SER 75 CO 0.02 0.03 -0.02 0.44 -0.87 0.00 0.00 176.83 176.43 2kj1 h ASP 76 N 0.26 -0.05 -0.59 4.97 3.32 -1.41 -2.34 116.42 120.58 2kj1 h ASP 76 Ca 0.62 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.78 2kj1 h ASP 76 Cb 1.84 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 41.29 2kj1 h ASP 76 CO -0.25 0.38 -0.30 -1.13 -1.72 0.00 0.00 179.24 176.22 2kj1 h ASN 77 N -0.89 -1.06 0.12 6.45 -1.24 -0.49 -0.05 115.58 118.42 2kj1 h ASN 77 Ca -0.01 0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.24 2kj1 h ASN 77 Cb 0.04 0.54 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 2kj1 h ASN 77 CO 0.01 -0.29 -0.23 0.24 -1.29 0.00 0.00 177.43 175.87 2kj1 h MET 78 N -0.14 -0.41 -0.94 6.67 2.86 -0.30 -2.14 114.93 120.54 2kj1 h MET 78 Ca 0.25 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 58.13 2kj1 h MET 78 Cb 0.54 0.09 -0.17 0.00 0.06 0.00 0.00 31.60 32.12 2kj1 h MET 78 CO -0.67 -0.27 -0.09 1.49 1.06 0.00 0.00 176.91 178.42 2kj1 h GLU 79 N -0.42 0.02 0.33 1.72 4.81 -0.46 0.56 114.58 121.13 2kj1 h GLU 79 Ca 0.03 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2kj1 h GLU 79 Cb 0.44 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kj1 h GLU 79 CO -0.12 0.01 -0.22 0.28 -0.73 0.00 0.00 179.01 178.23 2kj1 h VAL 80 N 0.02 0.00 -0.38 0.32 2.07 -0.66 0.40 116.25 118.01 2kj1 h VAL 80 Ca 0.51 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.09 2kj1 h VAL 80 Cb 0.92 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 2kj1 h VAL 80 CO -0.91 0.00 -0.44 0.25 0.02 0.00 0.00 177.57 176.50 2kj1 h LEU 81 N -0.52 -1.44 0.00 2.57 6.46 -0.73 1.39 115.31 123.04 2kj1 h LEU 81 Ca -0.04 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2kj1 h LEU 81 Cb 0.42 0.62 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2kj1 h LEU 81 CO 0.03 -0.38 0.00 -1.20 -0.62 0.00 0.00 178.44 176.27 2kj1 n SER 82 N -5.41 0.00 -0.01 1.25 7.64 0.18 -2.38 113.62 114.89 2kj1 n SER 82 Ca -0.01 0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 2kj1 n SER 82 Cb 0.35 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.05 0.41 6.43 1.82 0.64 -3.38 116.42 122.29 2kj1 h ASP 83 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kj1 h ASP 83 Cb 0.05 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2kj1 h ASP 83 CO 0.00 0.29 -0.20 0.45 -1.61 0.00 0.00 179.24 178.17 2kj1 h HIS 84 N -0.73 -0.51 -2.86 0.28 -0.00 -1.31 -3.49 115.15 106.54 2kj1 h HIS 84 Ca -0.01 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.61 2kj1 h HIS 84 Cb 0.05 0.17 -0.14 0.00 -0.00 0.00 0.00 27.41 27.49 2kj1 h HIS 84 CO 0.00 -0.31 -0.94 -0.89 -0.00 0.00 0.00 177.93 175.79 2kj1 n ILE 85 N -5.32 -0.71 -1.67 2.45 2.08 -1.00 -4.44 119.36 110.74 2kj1 n ILE 85 Ca -0.11 0.71 -0.45 0.00 0.56 0.00 0.00 62.75 63.46 2kj1 n ILE 85 Cb 0.24 -1.06 -0.04 0.00 -0.75 0.00 0.00 39.64 38.03 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 2kj1 n VAL 86 N -4.00 0.61 -4.95 1.39 3.14 -1.26 -4.22 118.33 109.04 2kj1 n VAL 86 Ca -0.07 -0.11 -0.27 0.00 -2.96 0.00 0.00 64.34 60.93 2kj1 n VAL 86 Cb 0.50 -2.07 -0.16 0.00 -1.06 0.00 0.00 33.84 31.05 2kj1 n VAL 86 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2kj1 s ILE 87 N 3.96 1.57 0.04 1.55 2.07 -1.21 -4.77 121.20 124.41 2kj1 s ILE 87 Ca 0.89 -0.82 -0.33 0.00 -1.41 0.00 0.00 60.65 58.99 2kj1 s ILE 87 Cb -0.56 -1.33 -0.12 0.00 0.13 0.00 0.00 42.46 40.58 2kj1 s ILE 87 CO 0.46 0.45 1.82 1.21 -1.91 0.00 0.00 174.94 176.96 2kj1 n GLU 88 N 2.89 2.46 0.00 3.50 0.00 -1.26 0.26 120.64 128.48 2kj1 n GLU 88 Ca -0.17 0.90 0.00 0.00 0.00 0.00 0.00 57.16 57.89 2kj1 n GLU 88 Cb 0.53 -2.76 0.00 0.00 0.00 0.00 0.00 31.44 29.21 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kj1 n GLY 89 N 4.17 3.00 2.56 8.31 0.00 -1.26 -4.71 105.19 117.26 2kj1 n GLY 89 Ca 0.20 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 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 2.76 -4.59 0.99 7.94 0.59 -5.04 117.00 119.65 2kj1 n LEU 90 Ca 0.00 -5.00 -0.48 0.00 -1.11 0.00 0.00 56.01 49.42 2kj1 n LEU 90 Cb 0.00 0.06 -0.05 0.00 0.53 0.00 0.00 43.42 43.96 2kj1 n LEU 90 CO 0.00 2.16 1.67 -1.54 -1.11 0.00 0.00 177.39 178.57 2kj1 n SER 91 N -0.08 3.01 -0.11 1.96 3.41 0.71 -3.36 113.62 119.16 2kj1 n SER 91 Ca 0.26 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.44 2kj1 n SER 91 Cb 0.61 -1.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.20 2kj1 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kj1 h ALA 92 N 11.57 0.37 -1.35 7.33 0.00 -1.80 0.43 119.26 135.80 2kj1 h ALA 92 Ca -0.40 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kj1 h ALA 92 Cb 1.28 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2kj1 h ALA 92 CO 0.97 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 180.26 2kj1 n GLU 93 N -5.13 0.00 -0.29 0.00 4.71 -1.26 0.46 120.64 119.13 2kj1 n GLU 93 Ca 0.02 0.39 0.04 0.00 -0.01 0.00 0.00 57.16 57.59 2kj1 n GLU 93 Cb 0.18 -1.27 0.12 0.00 -1.01 0.00 0.00 31.44 29.45 2kj1 n GLU 93 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2kj1 h GLU 94 N 0.00 0.01 0.36 3.49 4.57 -1.94 -0.80 114.58 120.27 2kj1 h GLU 94 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2kj1 h GLU 94 Cb 0.00 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2kj1 h GLU 94 CO 0.00 0.01 -0.41 0.82 -1.18 0.00 0.00 179.01 178.24 2kj1 h ILE 95 N 0.01 0.00 -0.99 2.32 1.08 0.05 -1.82 117.51 118.16 2kj1 h ILE 95 Ca 0.41 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 65.17 2kj1 h ILE 95 Cb 0.65 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.21 2kj1 h ILE 95 CO -0.83 0.00 0.10 -0.38 -0.69 0.00 0.00 178.15 176.36 2kj1 n ILE 96 N -4.89 -0.42 0.38 -0.67 5.41 0.17 0.07 119.36 119.41 2kj1 n ILE 96 Ca -0.09 2.16 -0.18 0.00 1.00 0.00 0.00 62.75 65.63 2kj1 n ILE 96 Cb 0.37 -3.21 -0.09 0.00 -0.71 0.00 0.00 39.64 36.00 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 -0.97 -0.91 0.38 3.64 -0.64 -1.90 116.57 116.18 2kj1 h LYS 97 Ca 0.64 0.07 0.23 0.00 -1.27 0.00 0.00 60.65 60.31 2kj1 h LYS 97 Cb 1.40 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.27 2kj1 h LYS 97 CO -0.91 -0.65 -0.07 -1.33 -2.27 0.00 0.00 179.45 174.23 2kj1 n MET 98 N -5.54 -0.08 0.24 1.90 2.81 0.11 0.32 117.12 116.88 2kj1 n MET 98 Ca -0.14 1.38 0.13 0.00 -1.81 0.00 0.00 57.70 57.26 2kj1 n MET 98 Cb 0.42 -2.15 0.43 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.84 3.03 0.00 -1.17 -2.89 103.07 103.88 2kj1 h GLY 99 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 2kj1 h GLY 99 CO -0.88 0.00 -0.25 -2.09 0.00 0.00 0.00 176.54 173.32 2kj1 h GLU 100 N 0.00 0.19 0.00 4.80 4.81 0.58 -1.92 114.58 123.04 2kj1 h GLU 100 Ca -0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2kj1 h GLU 100 Cb 0.78 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2kj1 h GLU 100 CO 0.01 0.44 -0.37 1.15 -0.73 0.00 0.00 179.01 179.51 2kj1 h THR 101 N 0.18 0.93 -0.85 0.32 2.02 -1.17 -3.44 112.91 110.89 2kj1 h THR 101 Ca 0.03 -1.47 0.19 0.00 0.77 0.00 0.00 66.41 65.93 2kj1 h THR 101 Cb 0.54 1.88 -0.25 0.00 -1.74 0.00 0.00 68.15 68.59 2kj1 h THR 101 CO 0.04 0.36 0.28 0.54 0.37 0.00 0.00 175.52 177.11 2kj1 s VAL 102 N -3.70 -0.42 -2.50 3.16 0.11 -0.73 -5.15 120.40 111.17 2kj1 s VAL 102 Ca -0.00 0.00 0.28 0.00 -2.93 0.00 0.00 61.98 59.33 2kj1 s VAL 102 Cb 0.12 -1.00 0.55 0.00 -1.53 0.00 0.00 36.38 34.52 2kj1 s VAL 102 CO 0.69 0.00 1.75 0.18 -3.33 0.00 0.00 175.10 174.39