#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 s PRO 44 N 0.00 -0.40 -0.04 1.61 0.04 -1.26 -5.06 135.00 129.89 2kj1 s PRO 44 Ca 0.00 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 2kj1 s PRO 44 Cb 0.00 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.92 2kj1 s PRO 44 CO 0.00 -3.28 0.05 1.21 0.04 0.00 0.00 177.00 175.03 2kj1 s ASN 45 N -3.27 1.07 0.65 6.66 3.84 -1.26 -4.99 114.94 117.64 2kj1 s ASN 45 Ca 0.67 0.07 0.09 0.00 0.21 0.00 0.00 52.86 53.90 2kj1 s ASN 45 Cb -0.19 -0.15 0.37 0.00 -0.55 0.00 0.00 41.25 40.73 2kj1 s ASN 45 CO 0.59 -0.24 1.15 0.11 -2.79 0.00 0.00 177.10 175.93 2kj1 h LYS 46 N 8.33 0.00 -0.02 0.43 6.56 -2.01 1.73 116.57 131.59 2kj1 h LYS 46 Ca -0.16 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.26 2kj1 h LYS 46 Cb 1.12 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.77 2kj1 h LYS 46 CO 0.19 0.00 -0.78 1.49 -2.06 0.00 0.00 179.45 178.29 2kj1 h GLU 47 N 0.00 0.20 -0.05 3.15 4.81 -1.99 -2.64 114.58 118.07 2kj1 h GLU 47 Ca 0.13 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2kj1 h GLU 47 Cb 2.14 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.57 2kj1 h GLU 47 CO -0.00 0.88 -0.12 1.15 -0.73 0.00 0.00 179.01 180.19 2kj1 h THR 48 N 0.13 1.43 -0.94 0.32 2.02 0.22 -1.47 112.91 114.61 2kj1 h THR 48 Ca -0.03 -1.46 0.01 0.00 0.77 0.00 0.00 66.41 65.70 2kj1 h THR 48 Cb 1.36 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 70.00 2kj1 h THR 48 CO 0.12 0.40 0.62 0.16 0.37 0.00 0.00 175.52 177.19 2kj1 h ILE 49 N -0.34 1.25 -0.86 3.11 -0.00 -1.62 -1.40 117.51 117.64 2kj1 h ILE 49 Ca -0.00 -0.46 -0.01 0.00 -0.00 0.00 0.00 64.86 64.39 2kj1 h ILE 49 Cb 0.71 -0.14 -0.04 0.00 -0.00 0.00 0.00 36.82 37.35 2kj1 h ILE 49 CO 0.03 0.24 0.51 -1.13 -0.00 0.00 0.00 178.15 177.80 2kj1 h ASN 50 N 1.29 1.04 -0.64 2.16 -1.24 -1.39 -0.84 115.58 115.96 2kj1 h ASN 50 Ca 0.34 -0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.30 2kj1 h ASN 50 Cb -0.13 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.62 2kj1 h ASN 50 CO -0.07 0.80 0.42 -0.09 -1.29 0.00 0.00 177.43 177.21 2kj1 h ARG 51 N 1.19 0.83 -0.17 6.67 9.65 -0.15 0.68 114.38 133.08 2kj1 h ARG 51 Ca 0.31 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 59.04 2kj1 h ARG 51 Cb -0.04 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2kj1 h ARG 51 CO -0.06 0.55 -0.29 1.49 2.80 0.00 0.00 179.97 184.46 2kj1 h GLU 52 N 0.86 0.50 0.00 0.20 4.81 -0.89 -2.67 114.58 117.39 2kj1 h GLU 52 Ca 0.24 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kj1 h GLU 52 Cb -0.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2kj1 h GLU 52 CO -0.05 0.91 0.00 0.28 -0.73 0.00 0.00 179.01 179.42 2kj1 h VAL 53 N 0.15 0.00 0.31 0.32 2.07 -0.51 -2.45 116.25 116.13 2kj1 h VAL 53 Ca 0.01 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2kj1 h VAL 53 Cb 0.87 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2kj1 h VAL 53 CO 0.07 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 178.28 2kj1 h SER 54 N 0.00 -0.35 -0.60 0.57 4.64 0.54 -2.83 113.55 115.52 2kj1 h SER 54 Ca 0.00 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 2kj1 h SER 54 Cb 0.60 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2kj1 h SER 54 CO 0.00 0.05 0.40 -0.29 -0.87 0.00 0.00 176.83 176.13 2kj1 h ILE 55 N -1.03 0.92 -0.22 0.95 2.10 -1.53 -1.49 117.51 117.21 2kj1 h ILE 55 Ca -0.04 -0.16 0.05 0.00 1.08 0.00 0.00 64.86 65.79 2kj1 h ILE 55 Cb 0.32 0.42 -0.07 0.00 -1.09 0.00 0.00 36.82 36.40 2kj1 h ILE 55 CO 0.07 0.08 -0.39 0.25 -1.08 0.00 0.00 178.15 177.08 2kj1 h LEU 56 N 0.46 -1.25 -0.51 2.19 7.12 -1.42 0.53 115.31 122.42 2kj1 h LEU 56 Ca 0.27 0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.54 2kj1 h LEU 56 Cb 0.47 0.53 -0.06 0.00 -0.53 0.00 0.00 40.66 41.07 2kj1 h LEU 56 CO -0.08 -0.39 0.17 0.03 -0.13 0.00 0.00 178.44 178.05 2kj1 h ARG 57 N -0.41 0.33 0.15 1.25 3.08 -1.02 -1.96 114.38 115.80 2kj1 h ARG 57 Ca 0.10 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2kj1 h ARG 57 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2kj1 h ARG 57 CO -0.44 0.22 -0.18 1.25 -1.07 0.00 0.00 179.97 179.74 2kj1 h HIS 58 N 0.34 -0.48 -0.76 3.04 2.76 -0.76 -2.16 115.15 117.14 2kj1 h HIS 58 Ca 0.25 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.59 2kj1 h HIS 58 Cb 0.28 0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.30 2kj1 h HIS 58 CO -0.17 -0.27 -0.04 0.77 -1.30 0.00 0.00 177.93 176.92 2kj1 h SER 59 N -0.38 -0.43 -0.34 3.26 0.02 0.63 0.31 113.55 116.61 2kj1 h SER 59 Ca 0.01 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.24 2kj1 h SER 59 Cb 0.37 0.38 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 2kj1 h SER 59 CO -0.07 -0.20 -0.22 0.22 -1.14 0.00 0.00 176.83 175.42 2kj1 h TYR 60 N 0.07 -0.56 -0.39 3.45 3.20 -0.73 -1.55 116.97 120.46 2kj1 h TYR 60 Ca 0.41 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.36 2kj1 h TYR 60 Cb 0.70 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 2kj1 h TYR 60 CO -0.47 -0.29 -0.36 0.37 -1.64 0.00 0.00 178.16 175.77 2kj1 h GLN 61 N -0.17 -0.15 -0.76 1.82 4.15 -0.06 0.21 115.11 120.15 2kj1 h GLN 61 Ca 0.17 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.77 2kj1 h GLN 61 Cb 0.44 0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.03 2kj1 h GLN 61 CO -0.45 -0.10 -0.07 0.87 -1.93 0.00 0.00 178.83 177.15 2kj1 h LYS 62 N -0.16 0.05 0.03 1.69 1.57 -1.01 -0.17 116.57 118.57 2kj1 h LYS 62 Ca 0.06 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2kj1 h LYS 62 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2kj1 h LYS 62 CO -0.45 0.03 -0.19 0.93 -0.57 0.00 0.00 179.45 179.20 2kj1 h GLU 63 N 0.05 -0.25 -0.29 3.15 4.39 0.33 0.41 114.58 122.37 2kj1 h GLU 63 Ca 0.40 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.18 2kj1 h GLU 63 Cb 0.67 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.30 2kj1 h GLU 63 CO -0.72 -0.17 -0.28 0.97 -1.16 0.00 0.00 179.01 177.66 2kj1 h ILE 64 N -0.26 0.32 0.00 3.13 2.10 -0.62 1.66 117.51 123.84 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 0.27 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 2kj1 h ILE 64 CO -0.11 0.00 0.10 0.00 -1.08 0.00 0.00 178.15 177.06 2kj1 n GLN 65 N -5.40 0.04 -0.06 2.19 6.02 -0.14 -1.73 117.38 118.31 2kj1 n GLN 65 Ca -0.00 0.48 -0.09 0.00 -0.01 0.00 0.00 57.00 57.38 2kj1 n GLN 65 Cb 0.31 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 29.75 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 1.66 -0.01 -0.16 -1.58 0.00 0.70 -2.85 119.26 117.02 2kj1 h ALA 66 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kj1 h ALA 66 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kj1 h ALA 66 CO 0.00 -0.01 0.16 1.57 0.00 0.00 0.00 179.25 180.97 2kj1 h LYS 67 N -0.99 0.00 0.53 0.00 2.10 -0.93 0.14 116.57 117.42 2kj1 h LYS 67 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2kj1 h LYS 67 Cb 0.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2kj1 h LYS 67 CO 0.00 0.00 -0.26 0.93 -2.00 0.00 0.00 179.45 178.13 2kj1 h GLU 68 N 0.00 -0.69 -0.31 0.07 5.08 -1.51 0.47 114.58 117.69 2kj1 h GLU 68 Ca 0.08 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 2kj1 h GLU 68 Cb 0.39 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kj1 h GLU 68 CO -0.00 -0.46 0.23 1.15 -1.00 0.00 0.00 179.01 178.93 2kj1 h THR 69 N -0.94 0.77 0.23 1.13 2.02 -1.17 -1.69 112.91 113.27 2kj1 h THR 69 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2kj1 h THR 69 Cb 0.55 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2kj1 h THR 69 CO 0.12 0.00 -0.11 -0.03 0.37 0.00 0.00 175.52 175.87 2kj1 h MET 70 N 0.00 -0.29 -0.93 6.66 -1.53 -0.50 -2.59 114.93 115.74 2kj1 h MET 70 Ca 0.15 0.02 0.27 0.00 -3.44 0.00 0.00 59.70 56.70 2kj1 h MET 70 Cb 0.61 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.69 2kj1 h MET 70 CO -0.00 0.08 0.80 -0.22 0.14 0.00 0.00 176.91 177.71 2kj1 h LYS 71 N -0.80 0.00 -0.02 0.39 3.64 0.85 0.39 116.57 121.03 2kj1 h LYS 71 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2kj1 h LYS 71 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2kj1 h LYS 71 CO 0.05 0.00 -0.05 1.49 -2.27 0.00 0.00 179.45 178.67 2kj1 h GLU 72 N 0.00 0.06 -0.96 1.90 4.81 -1.13 -2.07 114.58 117.19 2kj1 h GLU 72 Ca 0.44 -0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.86 2kj1 h GLU 72 Cb 2.04 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 31.30 2kj1 h GLU 72 CO -0.00 0.66 0.51 0.28 -0.73 0.00 0.00 179.01 179.73 2kj1 h VAL 73 N -0.52 0.52 0.09 0.32 2.07 0.15 0.60 116.25 119.49 2kj1 h VAL 73 Ca -0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2kj1 h VAL 73 Cb 0.66 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2kj1 h VAL 73 CO 0.01 0.09 -0.05 -0.07 0.02 0.00 0.00 177.57 177.58 2kj1 h LEU 74 N 0.52 -0.11 -0.82 2.57 3.38 -1.42 -1.63 115.31 117.80 2kj1 h LEU 74 Ca 0.60 -0.43 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2kj1 h LEU 74 Cb 1.13 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 2kj1 h LEU 74 CO -0.49 0.41 0.20 0.28 0.09 0.00 0.00 178.44 178.93 2kj1 h SER 75 N -0.66 -0.01 0.77 -0.43 0.02 -0.41 1.56 113.55 114.39 2kj1 h SER 75 Ca -0.01 0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2kj1 h SER 75 Cb 0.53 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2kj1 h SER 75 CO 0.02 -0.10 -0.24 0.44 -1.14 0.00 0.00 176.83 175.81 2kj1 h ASP 76 N 0.24 0.00 0.06 3.07 3.32 -0.90 -2.50 116.42 119.70 2kj1 h ASP 76 Ca 0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 2kj1 h ASP 76 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2kj1 h ASP 76 CO -0.60 0.24 -0.03 -1.13 -1.72 0.00 0.00 179.24 176.00 2kj1 h ASN 77 N 0.00 -0.07 -0.99 6.45 -0.73 0.30 -2.52 115.58 118.02 2kj1 h ASN 77 Ca -0.00 -0.24 0.20 0.00 1.87 0.00 0.00 56.30 58.13 2kj1 h ASN 77 Cb 0.69 0.02 -0.11 0.00 0.27 0.00 0.00 38.32 39.18 2kj1 h ASN 77 CO 0.03 0.54 0.58 0.24 -0.37 0.00 0.00 177.43 178.45 2kj1 h MET 78 N -1.00 0.66 -0.06 6.67 2.86 -0.10 0.22 114.93 124.18 2kj1 h MET 78 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kj1 h MET 78 Cb 0.30 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2kj1 h MET 78 CO 0.01 0.44 0.03 1.49 1.06 0.00 0.00 176.91 179.94 2kj1 h GLU 79 N 0.68 0.08 -0.83 1.72 4.22 -1.53 0.54 114.58 119.47 2kj1 h GLU 79 Ca 0.59 -0.01 0.13 0.00 0.08 0.00 0.00 59.36 60.15 2kj1 h GLU 79 Cb 0.98 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 2kj1 h GLU 79 CO -0.42 0.17 0.54 0.28 -2.18 0.00 0.00 179.01 177.41 2kj1 h VAL 80 N -0.03 0.85 0.02 0.32 2.07 -0.21 -1.93 116.25 117.34 2kj1 h VAL 80 Ca 0.02 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2kj1 h VAL 80 Cb 0.12 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2kj1 h VAL 80 CO -0.00 0.11 -0.22 0.25 0.02 0.00 0.00 177.57 177.73 2kj1 h LEU 81 N 0.62 0.05 -1.37 2.57 7.12 -0.41 -2.95 115.31 120.96 2kj1 h LEU 81 Ca 0.40 -0.95 0.00 0.00 0.13 0.00 0.00 57.88 57.47 2kj1 h LEU 81 Cb 0.68 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 2kj1 h LEU 81 CO -0.16 1.09 0.54 0.28 -0.13 0.00 0.00 178.44 180.06 2kj1 h SER 82 N -0.93 0.00 0.00 1.25 0.02 0.55 0.12 113.55 114.56 2kj1 h SER 82 Ca -0.05 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 2kj1 h SER 82 Cb 1.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2kj1 h SER 82 CO -0.00 0.00 -0.91 0.44 -1.14 0.00 0.00 176.83 175.22 2kj1 h ASP 83 N 0.00 0.00 0.00 3.07 3.32 -1.39 -3.34 116.42 118.08 2kj1 h ASP 83 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2kj1 h ASP 83 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2kj1 h ASP 83 CO 0.00 1.17 0.00 1.41 -1.72 0.00 0.00 179.24 180.10 2kj1 n HIS 84 N -4.52 0.00 -0.97 4.55 8.25 -0.11 -4.86 115.22 117.55 2kj1 n HIS 84 Ca -0.21 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.88 2kj1 n HIS 84 Cb 0.50 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.65 2kj1 n HIS 84 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kj1 n ILE 85 N -0.59 0.00 -1.67 1.59 -5.35 0.25 -4.61 119.36 108.98 2kj1 n ILE 85 Ca 0.02 -0.29 -0.53 0.00 -0.27 0.00 0.00 62.75 61.69 2kj1 n ILE 85 Cb 0.01 -0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 37.79 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2kj1 n VAL 86 N -3.02 0.23 -4.97 7.28 3.14 -1.26 -4.43 118.33 115.30 2kj1 n VAL 86 Ca -0.01 -0.04 -0.27 0.00 -2.96 0.00 0.00 64.34 61.05 2kj1 n VAL 86 Cb 0.64 -1.27 -0.16 0.00 -1.06 0.00 0.00 33.84 31.99 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 2.45 1.60 0.09 1.55 2.07 -1.21 -4.77 121.20 122.98 2kj1 s ILE 87 Ca 0.91 -0.84 -0.31 0.00 -1.41 0.00 0.00 60.65 59.00 2kj1 s ILE 87 Cb -0.92 -1.35 -0.10 0.00 0.13 0.00 0.00 42.46 40.21 2kj1 s ILE 87 CO 0.54 0.45 1.88 -0.62 -1.91 0.00 0.00 174.94 175.28 2kj1 n GLU 88 N 2.87 2.79 0.00 3.50 1.02 -1.26 0.26 120.64 129.82 2kj1 n GLU 88 Ca -0.17 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 2kj1 n GLU 88 Cb 0.53 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 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 4.32 3.04 2.53 0.62 0.00 -1.26 -4.72 105.19 109.71 2kj1 n GLY 89 Ca 0.19 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 2.49 -4.58 0.99 7.94 0.31 -5.04 117.00 119.11 2kj1 n LEU 90 Ca 0.00 -5.16 -0.46 0.00 -1.11 0.00 0.00 56.01 49.28 2kj1 n LEU 90 Cb 0.00 0.15 -0.04 0.00 0.53 0.00 0.00 43.42 44.05 2kj1 n LEU 90 CO 0.00 2.25 1.75 -1.54 -1.11 0.00 0.00 177.39 178.74 2kj1 n SER 91 N 0.01 3.09 -0.21 1.96 3.41 0.72 -3.34 113.62 119.26 2kj1 n SER 91 Ca 0.27 0.46 0.01 0.00 -0.26 0.00 0.00 58.87 59.35 2kj1 n SER 91 Cb 0.57 -1.44 0.12 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 12.90 0.82 -1.42 7.33 0.00 -1.79 0.19 119.26 137.29 2kj1 h ALA 92 Ca -0.40 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kj1 h ALA 92 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kj1 h ALA 92 CO 0.97 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 180.38 2kj1 n GLU 93 N -5.04 0.00 -0.31 0.00 -0.58 -1.26 0.57 120.64 114.01 2kj1 n GLU 93 Ca 0.10 0.29 0.07 0.00 -0.42 0.00 0.00 57.16 57.20 2kj1 n GLU 93 Cb 0.32 -1.26 0.16 0.00 -0.57 0.00 0.00 31.44 30.09 2kj1 n GLU 93 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2kj1 h GLU 94 N 0.00 0.02 0.78 3.49 4.57 -1.94 -0.15 114.58 121.35 2kj1 h GLU 94 Ca 0.00 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2kj1 h GLU 94 Cb 0.00 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2kj1 h GLU 94 CO 0.00 0.01 -0.37 0.82 -1.18 0.00 0.00 179.01 178.29 2kj1 h ILE 95 N 0.02 0.22 -0.95 2.32 1.08 -0.56 -2.71 117.51 116.93 2kj1 h ILE 95 Ca 0.47 -0.03 0.23 0.00 -0.39 0.00 0.00 64.86 65.14 2kj1 h ILE 95 Cb 0.80 0.23 -0.18 0.00 -3.07 0.00 0.00 36.82 34.60 2kj1 h ILE 95 CO -0.88 0.00 -0.09 -0.38 -0.69 0.00 0.00 178.15 176.11 2kj1 n ILE 96 N -5.53 -0.40 0.28 -0.67 5.41 0.19 0.09 119.36 118.73 2kj1 n ILE 96 Ca -0.15 2.12 -0.18 0.00 1.00 0.00 0.00 62.75 65.54 2kj1 n ILE 96 Cb 0.42 -3.02 -0.09 0.00 -0.71 0.00 0.00 39.64 36.23 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 -0.92 -0.89 0.38 3.64 -1.07 -1.97 116.57 115.74 2kj1 h LYS 97 Ca 0.52 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 60.20 2kj1 h LYS 97 Cb 0.98 0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.84 2kj1 h LYS 97 CO -0.93 -0.61 -0.05 -1.33 -2.27 0.00 0.00 179.45 174.27 2kj1 n MET 98 N -5.55 -0.07 0.25 1.90 2.81 0.11 0.28 117.12 116.86 2kj1 n MET 98 Ca -0.12 1.35 0.15 0.00 -1.81 0.00 0.00 57.70 57.28 2kj1 n MET 98 Cb 0.45 -2.12 0.50 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.13 -2.81 103.07 104.17 2kj1 h GLY 99 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2kj1 h GLY 99 CO -0.86 0.00 0.00 0.83 0.00 0.00 0.00 176.54 176.51 2kj1 h GLU 100 N 0.00 0.00 0.00 4.80 5.08 0.48 1.02 114.58 125.96 2kj1 h GLU 100 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kj1 h GLU 100 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2kj1 h GLU 100 CO 0.00 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.42 2kj1 n THR 101 N -3.09 0.77 0.00 1.13 -1.04 -0.74 -3.71 114.28 107.60 2kj1 n THR 101 Ca 0.03 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2kj1 n THR 101 Cb 0.47 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 2kj1 n THR 101 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2kj1 n VAL 102 N -2.04 0.00 -1.94 12.58 3.14 -1.12 -5.14 118.33 123.81 2kj1 n VAL 102 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 2kj1 n VAL 102 Cb 0.26 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26