#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 -0.17 0.05 1.61 0.04 -1.26 -5.07 135.00 130.20 2kj1 s PRO 44 Ca 0.00 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.40 2kj1 s PRO 44 Cb 0.00 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 32.98 2kj1 s PRO 44 CO 0.00 -3.17 1.09 0.54 0.04 0.00 0.00 177.00 175.50 2kj1 s ASN 45 N -3.06 -0.15 0.59 6.66 2.20 -1.26 -4.98 114.94 114.93 2kj1 s ASN 45 Ca 0.67 -0.23 0.18 0.00 -0.94 0.00 0.00 52.86 52.54 2kj1 s ASN 45 Cb -0.21 0.33 0.63 0.00 -2.00 0.00 0.00 41.25 40.00 2kj1 s ASN 45 CO 0.61 -0.60 1.15 1.17 -2.94 0.00 0.00 177.10 176.49 2kj1 n LYS 46 N -0.42 0.02 0.17 3.55 4.81 -1.26 0.17 118.16 125.20 2kj1 n LYS 46 Ca -0.07 0.95 0.03 0.00 -0.87 0.00 0.00 58.31 58.35 2kj1 n LYS 46 Cb 0.61 -2.40 0.30 0.00 0.02 0.00 0.00 35.03 33.56 2kj1 n LYS 46 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2kj1 h GLU 47 N 0.00 0.00 0.02 1.64 4.81 -1.99 -2.73 114.58 116.33 2kj1 h GLU 47 Ca 0.34 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 2kj1 h GLU 47 Cb 2.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.93 2kj1 h GLU 47 CO -0.00 0.45 -0.12 1.79 -0.73 0.00 0.00 179.01 180.39 2kj1 h THR 48 N 0.00 1.75 -0.83 0.32 1.35 0.14 -2.25 112.91 113.40 2kj1 h THR 48 Ca -0.00 -2.37 0.07 0.00 -0.55 0.00 0.00 66.41 63.55 2kj1 h THR 48 Cb 0.91 3.36 -0.05 0.00 -1.73 0.00 0.00 68.15 70.64 2kj1 h THR 48 CO 0.06 0.62 0.54 0.16 -0.25 0.00 0.00 175.52 176.65 2kj1 h ILE 49 N -0.90 1.04 -0.40 6.82 -0.00 -1.61 -1.65 117.51 120.82 2kj1 h ILE 49 Ca -0.02 -0.31 -0.15 0.00 -0.00 0.00 0.00 64.86 64.38 2kj1 h ILE 49 Cb 1.09 0.06 -0.01 0.00 -0.00 0.00 0.00 36.82 37.96 2kj1 h ILE 49 CO 0.02 0.17 -0.34 -1.13 -0.00 0.00 0.00 178.15 176.87 2kj1 h ASN 50 N 0.91 0.96 -0.60 2.16 -1.24 -1.55 -2.39 115.58 113.83 2kj1 h ASN 50 Ca 0.36 -0.42 0.04 0.00 0.71 0.00 0.00 56.30 56.99 2kj1 h ASN 50 Cb 0.23 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.96 2kj1 h ASN 50 CO -0.13 1.21 0.33 0.03 -1.29 0.00 0.00 177.43 177.58 2kj1 h ARG 51 N 0.76 0.62 -0.32 6.67 2.47 -0.67 0.61 114.38 124.51 2kj1 h ARG 51 Ca 0.07 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2kj1 h ARG 51 Cb 0.92 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2kj1 h ARG 51 CO 0.09 0.41 -0.09 0.93 0.56 0.00 0.00 179.97 181.87 2kj1 h GLU 52 N 0.64 0.63 0.00 0.04 5.08 -1.43 -2.46 114.58 117.08 2kj1 h GLU 52 Ca 0.26 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kj1 h GLU 52 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kj1 h GLU 52 CO -0.15 0.81 0.00 0.28 -1.00 0.00 0.00 179.01 178.95 2kj1 h VAL 53 N 0.40 0.00 0.26 3.13 2.07 -0.90 -2.47 116.25 118.74 2kj1 h VAL 53 Ca 0.08 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2kj1 h VAL 53 Cb 0.59 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2kj1 h VAL 53 CO 0.03 0.00 -0.12 0.77 0.02 0.00 0.00 177.57 178.27 2kj1 h SER 54 N 0.00 -0.29 -0.88 0.57 4.64 0.67 -2.81 113.55 115.44 2kj1 h SER 54 Ca 0.00 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2kj1 h SER 54 Cb 0.48 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2kj1 h SER 54 CO 0.00 0.10 0.57 0.40 -0.87 0.00 0.00 176.83 177.03 2kj1 h ILE 55 N -0.96 0.96 -0.48 0.95 2.04 -1.54 -1.64 117.51 116.84 2kj1 h ILE 55 Ca -0.04 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.60 2kj1 h ILE 55 Cb 0.26 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 2kj1 h ILE 55 CO 0.06 0.16 -0.47 0.25 0.00 0.00 0.00 178.15 178.14 2kj1 h LEU 56 N 0.86 -1.59 -0.40 1.44 7.12 -1.46 0.57 115.31 121.85 2kj1 h LEU 56 Ca 0.41 0.24 0.06 0.00 0.13 0.00 0.00 57.88 58.72 2kj1 h LEU 56 Cb 0.43 0.69 -0.06 0.00 -0.53 0.00 0.00 40.66 41.19 2kj1 h LEU 56 CO -0.18 -0.36 0.06 0.03 -0.13 0.00 0.00 178.44 177.86 2kj1 h ARG 57 N -0.31 0.18 -0.15 1.25 3.08 -1.03 -1.83 114.38 115.57 2kj1 h ARG 57 Ca 0.14 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.21 2kj1 h ARG 57 Cb 0.58 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2kj1 h ARG 57 CO -0.63 0.12 -0.05 1.25 -1.07 0.00 0.00 179.97 179.59 2kj1 h HIS 58 N 0.18 -0.11 -0.70 3.04 2.76 -0.65 -2.12 115.15 117.56 2kj1 h HIS 58 Ca 0.19 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.51 2kj1 h HIS 58 Cb 0.24 0.07 -0.13 0.00 1.55 0.00 0.00 27.41 29.14 2kj1 h HIS 58 CO -0.21 -0.08 -0.21 0.77 -1.30 0.00 0.00 177.93 176.89 2kj1 h SER 59 N -0.02 -0.77 -0.39 3.26 0.02 0.84 0.26 113.55 116.76 2kj1 h SER 59 Ca 0.08 0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 2kj1 h SER 59 Cb 0.13 0.47 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 2kj1 h SER 59 CO -0.17 -0.25 -0.21 0.22 -1.14 0.00 0.00 176.83 175.28 2kj1 h TYR 60 N -0.03 -0.54 -0.17 3.45 3.20 -0.86 -1.63 116.97 120.39 2kj1 h TYR 60 Ca 0.32 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.26 2kj1 h TYR 60 Cb 0.53 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2kj1 h TYR 60 CO -0.59 -0.29 -0.23 0.37 -1.64 0.00 0.00 178.16 175.78 2kj1 h GLN 61 N -0.15 -0.16 -0.89 1.82 5.75 -0.23 0.47 115.11 121.72 2kj1 h GLN 61 Ca 0.19 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.92 2kj1 h GLN 61 Cb 0.44 0.04 -0.16 0.00 1.07 0.00 0.00 27.48 28.87 2kj1 h GLN 61 CO -0.48 -0.11 0.01 0.87 -2.65 0.00 0.00 178.83 176.47 2kj1 h LYS 62 N -0.17 0.06 0.05 1.69 1.79 -0.92 -0.40 116.57 118.68 2kj1 h LYS 62 Ca 0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2kj1 h LYS 62 Cb 0.25 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2kj1 h LYS 62 CO -0.25 0.04 -0.14 0.93 -1.08 0.00 0.00 179.45 178.95 2kj1 h GLU 63 N 0.06 -0.21 -0.27 3.15 4.39 -0.00 0.43 114.58 122.13 2kj1 h GLU 63 Ca 0.51 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.29 2kj1 h GLU 63 Cb 0.98 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.60 2kj1 h GLU 63 CO -0.81 -0.14 -0.33 0.97 -1.16 0.00 0.00 179.01 177.54 2kj1 h ILE 64 N -0.21 0.25 0.00 3.13 6.09 -0.60 1.79 117.51 127.96 2kj1 h ILE 64 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2kj1 h ILE 64 Cb 0.21 0.25 0.00 0.00 0.47 0.00 0.00 36.82 37.75 2kj1 h ILE 64 CO -0.06 0.00 0.25 1.56 -3.07 0.00 0.00 178.15 176.83 2kj1 h GLN 65 N -0.32 0.00 0.04 2.19 4.20 -0.77 0.32 115.11 120.77 2kj1 h GLN 65 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2kj1 h GLN 65 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2kj1 h GLN 65 CO -0.45 0.00 -0.02 0.00 -0.67 0.00 0.00 178.83 177.69 2kj1 h ALA 66 N 1.37 -0.05 -0.78 3.87 0.00 0.74 -2.83 119.26 121.58 2kj1 h ALA 66 Ca 0.00 -0.34 0.22 0.00 0.00 0.00 0.00 54.91 54.80 2kj1 h ALA 66 Cb 0.50 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2kj1 h ALA 66 CO 0.00 -0.13 0.57 0.87 0.00 0.00 0.00 179.25 180.55 2kj1 h LYS 67 N -0.84 0.00 0.63 0.00 1.79 -0.40 0.53 116.57 118.28 2kj1 h LYS 67 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2kj1 h LYS 67 Cb 0.69 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2kj1 h LYS 67 CO 0.01 0.00 -0.30 0.93 -1.08 0.00 0.00 179.45 179.00 2kj1 h GLU 68 N 0.00 -0.82 -0.53 3.15 4.39 -1.39 0.42 114.58 119.81 2kj1 h GLU 68 Ca 0.37 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2kj1 h GLU 68 Cb 1.50 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 30.31 2kj1 h GLU 68 CO -0.00 -0.55 0.30 1.15 -1.16 0.00 0.00 179.01 178.75 2kj1 h THR 69 N -1.04 1.16 0.70 1.13 2.02 -0.97 -2.09 112.91 113.81 2kj1 h THR 69 Ca -0.09 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2kj1 h THR 69 Cb 0.65 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2kj1 h THR 69 CO 0.14 0.17 -0.34 -0.03 0.37 0.00 0.00 175.52 175.83 2kj1 h MET 70 N 0.72 -0.91 -0.99 6.66 -1.53 0.10 -1.77 114.93 117.22 2kj1 h MET 70 Ca 0.19 0.06 0.29 0.00 -3.44 0.00 0.00 59.70 56.80 2kj1 h MET 70 Cb -0.01 0.21 -0.04 0.00 -0.55 0.00 0.00 31.60 31.21 2kj1 h MET 70 CO -0.03 -0.60 0.88 -0.22 0.14 0.00 0.00 176.91 177.07 2kj1 h LYS 71 N -1.15 0.00 -0.06 0.39 3.64 0.02 0.70 116.57 120.10 2kj1 h LYS 71 Ca -0.10 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2kj1 h LYS 71 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2kj1 h LYS 71 CO 0.16 0.00 -0.17 0.93 -2.27 0.00 0.00 179.45 178.10 2kj1 h GLU 72 N 0.00 0.23 -0.81 1.90 3.07 -0.86 -1.25 114.58 116.85 2kj1 h GLU 72 Ca 0.47 -0.16 0.18 0.00 -0.50 0.00 0.00 59.36 59.36 2kj1 h GLU 72 Cb 2.22 0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 30.04 2kj1 h GLU 72 CO -0.00 0.77 0.28 0.28 -1.40 0.00 0.00 179.01 178.94 2kj1 h VAL 73 N -0.28 0.51 0.20 3.13 2.07 0.13 0.29 116.25 122.30 2kj1 h VAL 73 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2kj1 h VAL 73 Cb 0.78 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2kj1 h VAL 73 CO 0.04 0.06 -0.10 -0.07 0.02 0.00 0.00 177.57 177.53 2kj1 h LEU 74 N 0.35 -0.23 -0.76 2.57 3.38 -1.40 -0.18 115.31 119.03 2kj1 h LEU 74 Ca 0.48 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 58.34 2kj1 h LEU 74 Cb 0.85 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2kj1 h LEU 74 CO -0.51 0.21 0.00 0.28 0.09 0.00 0.00 178.44 178.51 2kj1 h SER 75 N -0.72 -0.36 0.50 -0.43 0.02 0.04 1.21 113.55 113.81 2kj1 h SER 75 Ca -0.03 0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 2kj1 h SER 75 Cb 0.50 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2kj1 h SER 75 CO 0.04 -0.19 -0.44 0.44 -1.14 0.00 0.00 176.83 175.55 2kj1 h ASP 76 N 0.10 0.00 0.35 3.07 3.32 -0.43 -2.22 116.42 120.61 2kj1 h ASP 76 Ca 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 2kj1 h ASP 76 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2kj1 h ASP 76 CO -0.68 0.44 -0.17 -1.13 -1.72 0.00 0.00 179.24 175.98 2kj1 h ASN 77 N 0.00 -0.40 -0.47 6.45 -0.73 0.31 -2.23 115.58 118.52 2kj1 h ASN 77 Ca -0.00 -0.13 0.14 0.00 1.87 0.00 0.00 56.30 58.17 2kj1 h ASN 77 Cb 0.81 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.48 2kj1 h ASN 77 CO 0.06 0.05 0.38 0.24 -0.37 0.00 0.00 177.43 177.79 2kj1 h MET 78 N -1.00 0.00 0.39 6.67 2.86 -0.01 0.39 114.93 124.24 2kj1 h MET 78 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2kj1 h MET 78 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2kj1 h MET 78 CO 0.08 0.00 -0.19 1.49 1.06 0.00 0.00 176.91 179.35 2kj1 h GLU 79 N 0.00 -0.51 -0.58 1.72 4.22 -1.28 0.54 114.58 118.69 2kj1 h GLU 79 Ca 0.22 0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.81 2kj1 h GLU 79 Cb 0.99 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2kj1 h GLU 79 CO -0.00 -0.22 0.39 0.28 -2.18 0.00 0.00 179.01 177.28 2kj1 h VAL 80 N -1.02 0.86 0.11 0.32 2.07 -0.71 -1.91 116.25 115.97 2kj1 h VAL 80 Ca -0.05 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2kj1 h VAL 80 Cb 0.52 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2kj1 h VAL 80 CO 0.09 0.06 -0.05 0.25 0.02 0.00 0.00 177.57 177.93 2kj1 h LEU 81 N 0.31 -0.12 -0.72 2.57 5.85 -0.85 -2.95 115.31 119.39 2kj1 h LEU 81 Ca 0.27 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kj1 h LEU 81 Cb 0.65 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2kj1 h LEU 81 CO -0.06 0.46 0.63 0.28 -0.34 0.00 0.00 178.44 179.40 2kj1 h SER 82 N -1.00 0.00 0.00 1.25 0.02 0.47 0.15 113.55 114.45 2kj1 h SER 82 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kj1 h SER 82 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2kj1 h SER 82 CO 0.02 0.00 -0.11 -0.78 -1.14 0.00 0.00 176.83 174.83 2kj1 h ASP 83 N 0.00 0.00 0.00 3.07 3.58 -1.28 -3.27 116.42 118.51 2kj1 h ASP 83 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kj1 h ASP 83 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kj1 h ASP 83 CO 0.00 0.48 0.00 1.41 -2.88 0.00 0.00 179.24 178.25 2kj1 n HIS 84 N -4.37 0.00 -0.99 0.28 -0.00 0.28 -4.86 115.22 105.56 2kj1 n HIS 84 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.34 2kj1 n HIS 84 Cb 0.05 -0.01 0.04 0.00 -0.00 0.00 0.00 29.99 30.07 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 -0.32 0.00 -1.65 1.59 3.06 0.14 -4.55 119.36 117.63 2kj1 n ILE 85 Ca 0.00 -0.28 -0.48 0.00 -2.50 0.00 0.00 62.75 59.49 2kj1 n ILE 85 Cb 0.03 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.16 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 -2.91 0.07 -4.57 9.51 3.14 -1.26 -4.38 118.33 117.94 2kj1 n VAL 86 Ca -0.02 -0.01 -0.22 0.00 -2.96 0.00 0.00 64.34 61.13 2kj1 n VAL 86 Cb 0.64 -1.39 -0.15 0.00 -1.06 0.00 0.00 33.84 31.88 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 1.23 1.00 0.12 1.55 2.07 -1.18 -4.78 121.20 121.21 2kj1 s ILE 87 Ca 0.82 -0.53 -0.33 0.00 -1.41 0.00 0.00 60.65 59.20 2kj1 s ILE 87 Cb -0.76 -0.85 -0.13 0.00 0.13 0.00 0.00 42.46 40.85 2kj1 s ILE 87 CO 0.42 0.29 1.68 1.21 -1.91 0.00 0.00 174.94 176.63 2kj1 n GLU 88 N 2.88 2.32 0.00 3.50 2.13 -1.26 0.15 120.64 130.37 2kj1 n GLU 88 Ca -0.15 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2kj1 n GLU 88 Cb 0.55 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.61 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 3.76 2.86 2.51 8.31 0.00 -1.26 -4.70 105.19 116.66 2kj1 n GLY 89 Ca 0.18 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 2.55 -4.63 0.99 7.94 0.34 -5.04 117.00 119.15 2kj1 n LEU 90 Ca 0.00 -5.29 -0.43 0.00 -1.11 0.00 0.00 56.01 49.19 2kj1 n LEU 90 Cb 0.00 0.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 2kj1 n LEU 90 CO 0.00 2.26 1.64 -0.55 -1.11 0.00 0.00 177.39 179.63 2kj1 s SER 91 N -2.67 6.04 0.54 1.96 0.15 0.40 -3.10 113.70 117.02 2kj1 s SER 91 Ca 0.43 2.12 0.35 0.00 0.70 0.00 0.00 55.95 59.55 2kj1 s SER 91 Cb 0.27 -2.52 1.53 0.00 -1.71 0.00 0.00 66.02 63.59 2kj1 s SER 91 CO -0.10 -1.46 1.82 0.00 1.20 0.00 0.00 173.24 174.71 2kj1 h ALA 92 N 12.37 3.05 0.07 5.45 0.00 -1.80 -2.07 119.26 136.32 2kj1 h ALA 92 Ca -0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kj1 h ALA 92 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kj1 h ALA 92 CO 0.96 -1.37 -0.03 0.93 0.00 0.00 0.00 179.25 179.74 2kj1 h GLU 93 N 0.01 -0.09 -0.99 0.00 5.08 -1.94 -0.19 114.58 116.47 2kj1 h GLU 93 Ca 0.54 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 59.09 2kj1 h GLU 93 Cb 2.14 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 31.23 2kj1 h GLU 93 CO -0.01 -0.06 -0.29 1.49 -1.00 0.00 0.00 179.01 179.14 2kj1 h GLU 94 N -0.13 -0.00 0.53 2.33 4.57 -1.79 0.17 114.58 120.25 2kj1 h GLU 94 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2kj1 h GLU 94 Cb 0.07 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2kj1 h GLU 94 CO 0.02 -0.00 -0.25 0.82 -1.18 0.00 0.00 179.01 178.41 2kj1 h ILE 95 N -0.00 0.47 -0.98 2.32 1.08 -1.46 -2.79 117.51 116.15 2kj1 h ILE 95 Ca 0.44 -0.08 0.18 0.00 -0.39 0.00 0.00 64.86 65.00 2kj1 h ILE 95 Cb 0.69 0.51 -0.18 0.00 -3.07 0.00 0.00 36.82 34.77 2kj1 h ILE 95 CO -1.01 0.01 -0.30 0.40 -0.69 0.00 0.00 178.15 176.57 2kj1 h ILE 96 N -0.76 0.02 0.04 -0.67 2.04 0.12 0.58 117.51 118.88 2kj1 h ILE 96 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2kj1 h ILE 96 Cb 0.57 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2kj1 h ILE 96 CO 0.12 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.53 2kj1 h LYS 97 N -0.00 -0.32 -0.91 2.37 3.64 -1.00 0.18 116.57 120.53 2kj1 h LYS 97 Ca 0.42 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 60.06 2kj1 h LYS 97 Cb 0.67 0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.39 2kj1 h LYS 97 CO -1.00 -0.21 -0.03 -1.33 -2.27 0.00 0.00 179.45 174.62 2kj1 n MET 98 N -3.80 -0.07 0.19 1.90 2.81 0.12 0.29 117.12 118.56 2kj1 n MET 98 Ca -0.04 1.37 0.14 0.00 -1.81 0.00 0.00 57.70 57.36 2kj1 n MET 98 Cb 0.18 -2.15 0.41 0.00 -0.71 0.00 0.00 33.22 30.95 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 -0.47 -2.97 103.07 104.66 2kj1 h GLY 99 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 2kj1 h GLY 99 CO -0.87 0.00 -0.47 0.83 0.00 0.00 0.00 176.54 176.03 2kj1 h GLU 100 N 0.00 0.00 -0.63 4.80 4.39 0.73 0.68 114.58 124.56 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 0.71 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2kj1 h GLU 100 CO 0.00 0.47 0.29 1.15 -1.16 0.00 0.00 179.01 179.76 2kj1 h THR 101 N 0.00 1.21 0.00 1.13 2.02 -1.16 -3.05 112.91 113.06 2kj1 h THR 101 Ca -0.00 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 2kj1 h THR 101 Cb 1.18 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2kj1 h THR 101 CO 0.06 0.25 -1.88 0.55 0.37 0.00 0.00 175.52 174.87 2kj1 n VAL 102 N -4.34 0.27 -1.24 3.16 3.14 -1.17 -5.16 118.33 112.98 2kj1 n VAL 102 Ca 0.06 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2kj1 n VAL 102 Cb 0.14 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26