#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 0.75 -3.61 1.61 -0.02 -1.26 -4.96 135.00 127.52 2kj1 n PRO 44 Ca 0.00 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.71 2kj1 n PRO 44 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.80 -0.12 0.54 2.55 3.84 -1.26 -4.99 114.94 114.71 2kj1 s ASN 45 Ca 0.61 0.01 0.47 0.00 0.21 0.00 0.00 52.86 54.16 2kj1 s ASN 45 Cb -0.72 0.12 1.60 0.00 -0.55 0.00 0.00 41.25 41.70 2kj1 s ASN 45 CO 0.58 -0.19 1.48 1.17 -2.79 0.00 0.00 177.10 177.36 2kj1 n LYS 46 N -0.01 0.00 0.25 0.43 4.81 -1.26 0.18 118.16 122.55 2kj1 n LYS 46 Ca 0.01 1.04 0.17 0.00 -0.87 0.00 0.00 58.31 58.66 2kj1 n LYS 46 Cb 0.58 -2.42 0.71 0.00 0.02 0.00 0.00 35.03 33.92 2kj1 n LYS 46 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kj1 h GLU 47 N 0.00 0.00 0.00 1.64 5.08 -1.95 -2.81 114.58 116.54 2kj1 h GLU 47 Ca 0.87 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 59.17 2kj1 h GLU 47 Cb 3.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.82 2kj1 h GLU 47 CO -0.01 0.00 -0.34 1.15 -1.00 0.00 0.00 179.01 178.81 2kj1 h THR 48 N 0.00 1.53 0.00 1.13 2.02 0.15 -2.44 112.91 115.29 2kj1 h THR 48 Ca 0.00 -2.28 -0.00 0.00 0.77 0.00 0.00 66.41 64.90 2kj1 h THR 48 Cb 0.39 3.01 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2kj1 h THR 48 CO 0.00 0.52 -0.02 0.16 0.37 0.00 0.00 175.52 176.55 2kj1 h ILE 49 N -1.00 0.63 -0.05 3.11 -2.65 -1.65 -2.09 117.51 113.80 2kj1 h ILE 49 Ca -0.09 -0.09 -0.05 0.00 1.03 0.00 0.00 64.86 65.66 2kj1 h ILE 49 Cb 1.06 1.05 0.00 0.00 -2.05 0.00 0.00 36.82 36.89 2kj1 h ILE 49 CO -0.06 0.02 -0.17 -1.13 0.03 0.00 0.00 178.15 176.84 2kj1 h ASN 50 N 0.00 0.24 -0.89 2.16 -1.24 -1.54 0.36 115.58 114.67 2kj1 h ASN 50 Ca -0.00 -0.61 0.14 0.00 0.71 0.00 0.00 56.30 56.53 2kj1 h ASN 50 Cb 0.05 -0.07 -0.09 0.00 0.73 0.00 0.00 38.32 38.94 2kj1 h ASN 50 CO 0.00 0.82 0.50 0.03 -1.29 0.00 0.00 177.43 177.49 2kj1 h ARG 51 N -0.31 0.72 0.15 6.67 2.47 -0.87 0.86 114.38 124.06 2kj1 h ARG 51 Ca -0.01 -0.04 -0.29 0.00 -1.26 0.00 0.00 59.98 58.38 2kj1 h ARG 51 Cb 0.79 -0.16 0.02 0.00 -1.65 0.00 0.00 29.97 28.97 2kj1 h ARG 51 CO 0.04 0.47 -1.28 1.05 0.56 0.00 0.00 179.97 180.81 2kj1 h GLU 52 N 0.74 0.43 0.00 0.04 4.11 -1.51 -2.86 114.58 115.53 2kj1 h GLU 52 Ca 0.47 -0.67 -0.08 0.00 0.07 0.00 0.00 59.36 59.15 2kj1 h GLU 52 Cb 0.60 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kj1 h GLU 52 CO -0.32 1.30 -0.38 0.28 0.07 0.00 0.00 179.01 179.96 2kj1 h VAL 53 N 0.15 0.95 0.43 -1.06 2.07 0.04 -2.26 116.25 116.57 2kj1 h VAL 53 Ca -0.17 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 2kj1 h VAL 53 Cb 1.97 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2kj1 h VAL 53 CO 0.23 0.37 -0.21 0.28 0.02 0.00 0.00 177.57 178.26 2kj1 h SER 54 N 0.00 -0.49 -0.81 0.57 0.02 0.70 -2.80 113.55 110.74 2kj1 h SER 54 Ca -0.00 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.20 2kj1 h SER 54 Cb 0.84 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2kj1 h SER 54 CO 0.05 -0.07 0.60 0.40 -1.14 0.00 0.00 176.83 176.66 2kj1 h ILE 55 N -1.12 0.56 0.24 3.27 2.04 -1.54 0.34 117.51 121.29 2kj1 h ILE 55 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2kj1 h ILE 55 Cb 0.44 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2kj1 h ILE 55 CO 0.10 0.00 -0.31 0.25 0.00 0.00 0.00 178.15 178.19 2kj1 h LEU 56 N 0.00 -0.86 -0.17 1.44 7.12 -1.22 0.06 115.31 121.68 2kj1 h LEU 56 Ca 0.39 0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.53 2kj1 h LEU 56 Cb 1.58 0.30 -0.05 0.00 -0.53 0.00 0.00 40.66 41.96 2kj1 h LEU 56 CO -0.00 -0.42 -0.13 0.03 -0.13 0.00 0.00 178.44 177.78 2kj1 h ARG 57 N -0.61 -0.13 -0.10 1.25 2.47 -0.67 -2.26 114.38 114.33 2kj1 h ARG 57 Ca 0.00 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2kj1 h ARG 57 Cb 0.58 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 2kj1 h ARG 57 CO -0.11 -0.09 -0.44 1.25 0.56 0.00 0.00 179.97 181.14 2kj1 h HIS 58 N -0.14 -1.28 -0.88 3.04 2.76 -1.17 -0.20 115.15 117.29 2kj1 h HIS 58 Ca 0.11 0.05 0.24 0.00 -2.20 0.00 0.00 60.37 58.56 2kj1 h HIS 58 Cb 0.29 0.57 -0.15 0.00 1.55 0.00 0.00 27.41 29.68 2kj1 h HIS 58 CO -0.27 -0.50 0.21 0.77 -1.30 0.00 0.00 177.93 176.84 2kj1 h SER 59 N -0.53 -0.06 0.12 3.26 0.02 -0.52 0.31 113.55 116.15 2kj1 h SER 59 Ca 0.06 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2kj1 h SER 59 Cb 0.65 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2kj1 h SER 59 CO -0.39 -0.18 -0.06 0.22 -1.14 0.00 0.00 176.83 175.29 2kj1 h TYR 60 N 0.18 -0.15 0.00 3.45 3.20 -0.52 0.43 116.97 123.56 2kj1 h TYR 60 Ca 0.55 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 2kj1 h TYR 60 Cb 1.12 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2kj1 h TYR 60 CO -0.29 -0.09 0.00 0.94 -1.64 0.00 0.00 178.16 177.08 2kj1 n GLN 61 N -5.16 0.00 -0.21 1.82 7.27 0.10 -0.05 117.38 121.16 2kj1 n GLN 61 Ca -0.08 0.77 0.27 0.00 0.07 0.00 0.00 57.00 58.03 2kj1 n GLN 61 Cb 0.09 -1.44 0.68 0.00 2.41 0.00 0.00 30.24 31.99 2kj1 n GLN 61 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2kj1 h LYS 62 N 0.00 0.08 0.47 3.69 2.10 -1.40 -2.07 116.57 119.44 2kj1 h LYS 62 Ca 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2kj1 h LYS 62 Cb 0.00 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2kj1 h LYS 62 CO 0.00 0.05 -0.28 1.49 -2.00 0.00 0.00 179.45 178.71 2kj1 h GLU 63 N 0.08 -0.67 -0.50 0.07 4.57 0.18 0.14 114.58 118.46 2kj1 h GLU 63 Ca 0.45 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.78 2kj1 h GLU 63 Cb 1.67 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 30.31 2kj1 h GLU 63 CO -0.05 -0.45 -0.13 0.97 -1.18 0.00 0.00 179.01 178.17 2kj1 h ILE 64 N -0.70 0.49 0.00 2.32 2.10 -0.46 2.00 117.51 123.26 2kj1 h ILE 64 Ca -0.06 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.88 2kj1 h ILE 64 Cb 0.55 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 2kj1 h ILE 64 CO 0.07 0.00 0.07 0.00 -1.08 0.00 0.00 178.15 177.21 2kj1 n GLN 65 N -5.36 0.11 -0.05 2.19 6.02 -0.92 -1.13 117.38 118.23 2kj1 n GLN 65 Ca 0.04 0.60 -0.14 0.00 -0.01 0.00 0.00 57.00 57.49 2kj1 n GLN 65 Cb 0.27 -1.94 -0.13 0.00 1.02 0.00 0.00 30.24 29.46 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 1.81 -0.00 -0.81 -1.58 0.00 0.61 -2.80 119.26 116.48 2kj1 h ALA 66 Ca 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 54.91 54.63 2kj1 h ALA 66 Cb 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2kj1 h ALA 66 CO 0.00 0.01 0.56 -0.22 0.00 0.00 0.00 179.25 179.60 2kj1 h LYS 67 N -0.82 0.20 0.60 0.00 3.64 -0.57 0.49 116.57 120.11 2kj1 h LYS 67 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2kj1 h LYS 67 Cb 0.99 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2kj1 h LYS 67 CO 0.02 0.13 -0.29 0.93 -2.27 0.00 0.00 179.45 177.97 2kj1 h GLU 68 N 0.21 -0.78 -0.56 1.90 5.08 -1.44 -0.34 114.58 118.64 2kj1 h GLU 68 Ca 0.40 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.93 2kj1 h GLU 68 Cb 1.26 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2kj1 h GLU 68 CO -0.08 -0.47 0.39 1.15 -1.00 0.00 0.00 179.01 179.00 2kj1 h THR 69 N -1.04 0.84 0.36 1.13 2.02 -0.91 -1.80 112.91 113.51 2kj1 h THR 69 Ca -0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2kj1 h THR 69 Cb 0.67 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2kj1 h THR 69 CO 0.14 0.05 -0.17 0.24 0.37 0.00 0.00 175.52 176.14 2kj1 h MET 70 N 0.26 -0.46 -1.26 6.66 2.86 -0.63 -2.45 114.93 119.91 2kj1 h MET 70 Ca 0.27 0.03 0.36 0.00 -2.06 0.00 0.00 59.70 58.30 2kj1 h MET 70 Cb 0.70 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 2kj1 h MET 70 CO -0.06 -0.16 0.89 -0.22 1.06 0.00 0.00 176.91 178.42 2kj1 h LYS 71 N -0.77 0.06 -0.17 1.72 3.64 -0.21 0.72 116.57 121.57 2kj1 h LYS 71 Ca -0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2kj1 h LYS 71 Cb 0.51 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2kj1 h LYS 71 CO 0.08 0.04 -0.10 0.93 -2.27 0.00 0.00 179.45 178.13 2kj1 h GLU 72 N 0.07 0.38 -0.71 1.90 5.08 -1.05 -1.91 114.58 118.34 2kj1 h GLU 72 Ca 0.62 -0.17 0.16 0.00 -1.00 0.00 0.00 59.36 58.97 2kj1 h GLU 72 Cb 2.33 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.46 2kj1 h GLU 72 CO -0.08 0.70 0.08 0.28 -1.00 0.00 0.00 179.01 178.99 2kj1 h VAL 73 N 0.05 0.45 -0.21 3.13 2.07 0.88 0.18 116.25 122.80 2kj1 h VAL 73 Ca 0.04 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2kj1 h VAL 73 Cb 0.59 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2kj1 h VAL 73 CO 0.03 0.03 -0.03 -0.07 0.02 0.00 0.00 177.57 177.55 2kj1 h LEU 74 N 0.18 0.39 -0.69 2.57 3.38 -1.37 -1.77 115.31 118.00 2kj1 h LEU 74 Ca 0.39 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 58.16 2kj1 h LEU 74 Cb 0.67 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 2kj1 h LEU 74 CO -0.56 0.65 0.03 0.28 0.09 0.00 0.00 178.44 178.93 2kj1 h SER 75 N 0.12 -0.26 0.73 -0.43 0.02 -0.19 0.73 113.55 114.28 2kj1 h SER 75 Ca 0.05 0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2kj1 h SER 75 Cb 0.47 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2kj1 h SER 75 CO 0.02 -0.13 -0.33 0.44 -1.14 0.00 0.00 176.83 175.69 2kj1 h ASP 76 N 0.14 0.00 0.26 3.07 3.32 -1.02 -2.53 116.42 119.65 2kj1 h ASP 76 Ca 0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 2kj1 h ASP 76 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2kj1 h ASP 76 CO -0.58 0.33 -0.13 -1.13 -1.72 0.00 0.00 179.24 176.02 2kj1 h ASN 77 N 0.00 -0.30 -0.86 6.45 -0.73 0.12 -1.50 115.58 118.77 2kj1 h ASN 77 Ca -0.00 0.01 0.19 0.00 1.87 0.00 0.00 56.30 58.37 2kj1 h ASN 77 Cb 0.79 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.39 2kj1 h ASN 77 CO 0.04 0.03 0.57 0.24 -0.37 0.00 0.00 177.43 177.94 2kj1 h MET 78 N -0.84 0.37 0.13 6.67 2.86 -0.63 0.96 114.93 124.45 2kj1 h MET 78 Ca -0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2kj1 h MET 78 Cb 0.27 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2kj1 h MET 78 CO 0.06 0.24 -0.06 1.49 1.06 0.00 0.00 176.91 179.70 2kj1 h GLU 79 N 0.38 -0.17 -0.97 1.72 4.57 -1.50 0.46 114.58 119.07 2kj1 h GLU 79 Ca 0.44 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.76 2kj1 h GLU 79 Cb 1.11 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 2kj1 h GLU 79 CO -0.15 0.25 0.61 0.28 -1.18 0.00 0.00 179.01 178.83 2kj1 h VAL 80 N -0.68 0.89 -0.01 0.32 2.07 -0.18 -1.07 116.25 117.60 2kj1 h VAL 80 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2kj1 h VAL 80 Cb 0.51 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2kj1 h VAL 80 CO 0.03 0.16 -0.01 0.25 0.02 0.00 0.00 177.57 178.02 2kj1 h LEU 81 N 0.89 0.02 -1.14 2.57 5.85 -0.74 -2.45 115.31 120.31 2kj1 h LEU 81 Ca 0.48 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2kj1 h LEU 81 Cb 0.57 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2kj1 h LEU 81 CO -0.25 0.56 0.68 0.28 -0.34 0.00 0.00 178.44 179.37 2kj1 h SER 82 N -0.52 0.00 0.01 1.25 0.02 0.11 0.14 113.55 114.56 2kj1 h SER 82 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kj1 h SER 82 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2kj1 h SER 82 CO 0.00 0.00 -0.00 -0.78 -1.14 0.00 0.00 176.83 174.91 2kj1 h ASP 83 N 0.00 -0.01 0.00 3.07 1.82 -0.83 -3.23 116.42 117.25 2kj1 h ASP 83 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2kj1 h ASP 83 Cb 1.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2kj1 h ASP 83 CO -0.00 0.31 0.00 1.41 -1.61 0.00 0.00 179.24 179.35 2kj1 n HIS 84 N -3.77 0.00 -0.98 0.28 -0.00 -0.05 -4.83 115.22 105.87 2kj1 n HIS 84 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2kj1 n HIS 84 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 2kj1 n HIS 84 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2kj1 n ILE 85 N -0.53 0.00 -1.68 1.59 3.06 0.27 -4.45 119.36 117.62 2kj1 n ILE 85 Ca 0.00 -0.49 -0.46 0.00 -2.50 0.00 0.00 62.75 59.30 2kj1 n ILE 85 Cb 0.00 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.14 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -2.50 0.00 0.00 176.55 174.60 2kj1 n VAL 86 N -2.38 0.27 -5.12 9.51 3.14 -1.26 -4.29 118.33 118.19 2kj1 n VAL 86 Ca -0.01 -0.05 -0.30 0.00 -2.96 0.00 0.00 64.34 61.02 2kj1 n VAL 86 Cb 0.54 -1.74 -0.17 0.00 -1.06 0.00 0.00 33.84 31.41 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 2.37 1.87 0.05 1.55 2.07 -1.22 -4.77 121.20 123.11 2kj1 s ILE 87 Ca 0.85 -0.94 -0.34 0.00 -1.41 0.00 0.00 60.65 58.80 2kj1 s ILE 87 Cb -0.66 -1.60 -0.13 0.00 0.13 0.00 0.00 42.46 40.21 2kj1 s ILE 87 CO 0.43 0.52 1.73 1.21 -1.91 0.00 0.00 174.94 176.92 2kj1 n GLU 88 N 3.20 2.21 0.00 3.50 2.13 -1.26 0.13 120.64 130.55 2kj1 n GLU 88 Ca -0.18 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2kj1 n GLU 88 Cb 0.52 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kj1 n GLY 89 N 3.90 3.01 2.38 8.31 0.00 -1.26 -4.73 105.19 116.79 2kj1 n GLY 89 Ca 0.19 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 1.79 -4.67 0.99 7.94 0.59 -5.04 117.00 118.60 2kj1 n LEU 90 Ca 0.00 -5.14 -0.45 0.00 -1.11 0.00 0.00 56.01 49.31 2kj1 n LEU 90 Cb 0.00 0.30 -0.04 0.00 0.53 0.00 0.00 43.42 44.21 2kj1 n LEU 90 CO 0.00 2.25 1.56 -0.24 -1.11 0.00 0.00 177.39 179.84 2kj1 n SER 91 N 0.41 3.87 -0.39 1.96 2.88 0.36 -3.44 113.62 119.28 2kj1 n SER 91 Ca 0.26 0.93 0.38 0.00 -1.33 0.00 0.00 58.87 59.11 2kj1 n SER 91 Cb 0.55 -1.46 0.76 0.00 -0.75 0.00 0.00 64.21 63.31 2kj1 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kj1 h ALA 92 N 9.97 3.22 0.29 -1.46 0.00 -1.78 0.31 119.26 129.81 2kj1 h ALA 92 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2kj1 h ALA 92 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kj1 h ALA 92 CO 0.94 -1.60 -0.14 1.49 0.00 0.00 0.00 179.25 179.94 2kj1 h GLU 93 N 0.01 -0.38 -0.98 0.00 4.22 -1.92 -2.34 114.58 113.20 2kj1 h GLU 93 Ca 0.63 0.03 0.16 0.00 0.08 0.00 0.00 59.36 60.26 2kj1 h GLU 93 Cb 2.50 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 31.67 2kj1 h GLU 93 CO -0.02 -0.25 -0.35 -1.91 -2.18 0.00 0.00 179.01 174.30 2kj1 n GLU 94 N -3.39 -0.19 -0.01 1.92 2.13 -0.00 -0.72 120.64 120.37 2kj1 n GLU 94 Ca -0.05 1.51 -0.03 0.00 0.66 0.00 0.00 57.16 59.25 2kj1 n GLU 94 Cb 0.15 -2.24 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 2kj1 n GLU 94 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kj1 h ILE 95 N 0.00 0.00 -0.90 6.31 2.04 -1.27 -1.10 117.51 122.59 2kj1 h ILE 95 Ca 0.37 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.37 2kj1 h ILE 95 Cb 0.62 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.55 2kj1 h ILE 95 CO -0.98 0.00 -0.36 -0.38 0.00 0.00 0.00 178.15 176.43 2kj1 n ILE 96 N -3.12 -0.48 0.04 -0.67 5.41 0.11 -0.76 119.36 119.89 2kj1 n ILE 96 Ca -0.01 2.12 -0.08 0.00 1.00 0.00 0.00 62.75 65.78 2kj1 n ILE 96 Cb 0.06 -2.79 -0.05 0.00 -0.71 0.00 0.00 39.64 36.16 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2kj1 h LYS 97 N 0.00 -0.32 -0.92 0.38 1.57 -0.39 0.22 116.57 117.11 2kj1 h LYS 97 Ca 0.31 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.34 2kj1 h LYS 97 Cb 0.53 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.75 2kj1 h LYS 97 CO -0.89 -0.21 -0.00 0.52 -0.57 0.00 0.00 179.45 178.29 2kj1 h MET 98 N -0.33 0.04 0.00 3.15 2.86 0.26 1.96 114.93 122.87 2kj1 h MET 98 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kj1 h MET 98 Cb 0.35 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2kj1 h MET 98 CO -0.15 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.25 2kj1 n GLY 99 N -1.49 -1.20 0.08 8.32 0.00 -0.15 -2.73 105.19 108.03 2kj1 n GLY 99 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2kj1 n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kj1 h GLU 100 N 0.00 0.09 0.00 1.61 5.08 0.63 -3.28 114.58 118.71 2kj1 h GLU 100 Ca 0.00 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.00 2kj1 h GLU 100 Cb 0.35 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2kj1 h GLU 100 CO 0.00 0.98 -0.99 1.79 -1.00 0.00 0.00 179.01 179.80 2kj1 h THR 101 N 0.02 1.71 -2.73 1.13 1.35 -1.25 -3.44 112.91 109.70 2kj1 h THR 101 Ca -0.11 -3.38 -0.18 0.00 -0.55 0.00 0.00 66.41 62.19 2kj1 h THR 101 Cb 1.88 2.83 -0.31 0.00 -1.73 0.00 0.00 68.15 70.82 2kj1 h THR 101 CO 0.14 0.97 -0.48 0.68 -0.25 0.00 0.00 175.52 176.58 2kj1 s VAL 102 N -2.74 -0.49 0.00 6.82 -7.23 -1.11 -5.15 120.40 110.50 2kj1 s VAL 102 Ca 0.01 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2kj1 s VAL 102 Cb 0.10 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.52 2kj1 s VAL 102 CO 0.82 0.10 0.02 -0.11 -0.31 0.00 0.00 175.10 175.62