#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 n GLU 2 N 0.00 -3.39 -1.92 2.12 0.28 -1.26 -4.51 120.64 111.96 2kd1 n GLU 2 Ca 0.00 2.77 -0.27 0.00 -0.16 0.00 0.00 57.16 59.50 2kd1 n GLU 2 Cb 0.00 -3.92 -0.05 0.00 1.43 0.00 0.00 31.44 28.90 2kd1 n GLU 2 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2kd1 s PRO 3 N -4.46 2.35 -0.82 3.44 0.02 -1.26 -4.93 135.00 129.34 2kd1 s PRO 3 Ca 0.00 0.13 -0.25 0.00 0.02 0.00 0.00 61.00 60.90 2kd1 s PRO 3 Cb 0.00 -4.86 -0.04 0.00 0.02 0.00 0.00 34.50 29.63 2kd1 s PRO 3 CO 0.00 -3.47 1.90 -1.54 -0.33 0.00 0.00 177.00 173.57 2kd1 s SER 4 N 8.86 5.22 -0.17 2.53 1.04 -1.26 -4.68 113.70 125.24 2kd1 s SER 4 Ca 0.76 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.87 2kd1 s SER 4 Cb -0.10 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 63.24 2kd1 s SER 4 CO 0.06 -2.60 0.16 0.29 0.98 0.00 0.00 173.24 172.13 2kd1 n LYS 5 N 8.95 0.68 -2.08 4.02 4.76 -1.26 -4.97 118.16 128.25 2kd1 n LYS 5 Ca 0.34 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.48 2kd1 n LYS 5 Cb 0.48 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2kd1 n LYS 5 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2kd1 s LEU 6 N -6.06 4.18 0.65 -0.35 2.96 -1.26 -5.00 118.68 113.79 2kd1 s LEU 6 Ca -0.17 2.00 -0.12 0.00 -0.22 0.00 0.00 54.13 55.62 2kd1 s LEU 6 Cb 0.07 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 2kd1 s LEU 6 CO 0.76 -1.01 1.05 -0.44 -1.32 0.00 0.00 176.35 175.39 2kd1 s SER 7 N 3.48 5.70 0.22 3.68 0.01 -1.26 -3.23 113.70 122.31 2kd1 s SER 7 Ca 0.71 1.62 -0.04 0.00 1.31 0.00 0.00 55.95 59.55 2kd1 s SER 7 Cb -0.30 -2.50 0.22 0.00 0.21 0.00 0.00 66.02 63.66 2kd1 s SER 7 CO 0.28 -1.23 1.66 0.22 0.41 0.00 0.00 173.24 174.58 2kd1 h TYR 8 N -0.31 0.88 -0.45 2.43 3.20 -1.37 0.23 116.97 121.57 2kd1 h TYR 8 Ca -0.45 -0.18 -0.13 0.00 3.14 0.00 0.00 58.73 61.12 2kd1 h TYR 8 Cb 1.21 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2kd1 h TYR 8 CO 0.62 0.89 -0.21 0.78 -1.64 0.00 0.00 178.16 178.61 2kd1 h GLY 9 N 0.97 1.02 1.49 1.82 0.00 -1.08 0.17 103.07 107.46 2kd1 h GLY 9 Ca 0.11 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 2kd1 h GLY 9 CO 0.05 0.83 0.04 0.83 0.00 0.00 0.00 176.54 178.28 2kd1 h GLU 10 N 0.78 0.64 -0.27 4.80 4.39 -1.76 -2.55 114.58 120.61 2kd1 h GLU 10 Ca 0.10 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2kd1 h GLU 10 Cb 0.78 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2kd1 h GLU 10 CO 0.06 0.64 -0.42 -0.92 -1.16 0.00 0.00 179.01 177.21 2kd1 h TYR 11 N 0.62 0.80 -0.01 4.33 3.20 -0.55 -2.86 116.97 122.50 2kd1 h TYR 11 Ca 0.13 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 2kd1 h TYR 11 Cb 0.33 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2kd1 h TYR 11 CO 0.01 0.97 -0.19 -0.07 -1.64 0.00 0.00 178.16 177.25 2kd1 h LEU 12 N 0.55 0.01 0.11 2.82 3.38 -0.27 0.56 115.31 122.47 2kd1 h LEU 12 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kd1 h LEU 12 Cb 0.95 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2kd1 h LEU 12 CO 0.09 0.20 -0.05 -0.33 0.09 0.00 0.00 178.44 178.44 2kd1 h GLU 13 N 0.01 -0.14 -0.26 1.13 4.39 -1.38 -1.29 114.58 117.05 2kd1 h GLU 13 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kd1 h GLU 13 Cb 0.35 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kd1 h GLU 13 CO 0.03 0.20 0.10 1.03 -1.16 0.00 0.00 179.01 179.20 2kd1 h SER 14 N -0.49 0.36 -0.42 1.42 0.87 -1.22 -1.99 113.55 112.07 2kd1 h SER 14 Ca -0.01 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2kd1 h SER 14 Cb 0.40 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2kd1 h SER 14 CO 0.02 0.43 0.25 -0.25 -0.53 0.00 0.00 176.83 176.75 2kd1 h TRP 15 N 0.26 0.57 -0.76 2.24 7.01 -1.01 -3.06 115.95 121.20 2kd1 h TRP 15 Ca 0.08 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2kd1 h TRP 15 Cb 0.19 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2kd1 h TRP 15 CO -0.01 0.41 0.50 0.35 -2.79 0.00 0.00 178.44 176.90 2kd1 h PHE 16 N 0.56 0.94 -0.70 2.65 3.57 -1.00 0.54 116.94 123.50 2kd1 h PHE 16 Ca 0.15 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2kd1 h PHE 16 Cb 0.02 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 2kd1 h PHE 16 CO -0.03 0.58 0.38 -0.91 -2.23 0.00 0.00 178.31 176.10 2kd1 h ASN 17 N 1.00 0.56 1.45 0.41 2.35 -1.26 -0.80 115.58 119.30 2kd1 h ASN 17 Ca 0.29 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2kd1 h ASN 17 Cb -0.08 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2kd1 h ASN 17 CO -0.08 0.35 -0.51 0.00 -1.65 0.00 0.00 177.43 175.54 2kd1 h THR 18 N 0.69 0.00 0.00 2.81 1.03 -1.52 -3.32 112.91 112.61 2kd1 h THR 18 Ca 0.32 -0.96 -0.11 0.00 -0.01 0.00 0.00 66.41 65.64 2kd1 h THR 18 Cb 0.23 1.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 2kd1 h THR 18 CO -0.20 0.00 -0.54 0.50 -0.01 0.00 0.00 175.52 175.27 2kd1 h LYS 19 N 0.00 0.00 -0.16 0.00 1.63 0.45 -2.45 116.57 116.03 2kd1 h LYS 19 Ca 0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2kd1 h LYS 19 Cb 0.98 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 2kd1 h LYS 19 CO 0.00 0.54 0.18 0.00 -3.45 0.00 0.00 179.45 176.73 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.32 -0.22 114.38 117.82 2kd1 h ARG 20 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2kd1 h ARG 20 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2kd1 h ARG 20 CO 0.07 0.00 -0.74 0.45 -1.07 0.00 0.00 179.97 178.68 2kd1 h HIS 21 N 0.00 0.00 0.14 3.04 3.86 -1.65 -3.34 115.15 117.20 2kd1 h HIS 21 Ca 0.08 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.01 2kd1 h HIS 21 Cb 0.44 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.93 2kd1 h HIS 21 CO 0.00 0.47 -1.25 1.03 0.86 0.00 0.00 177.93 179.04 2kd1 h SER 22 N 0.00 0.52 -4.39 2.45 0.87 -1.12 -3.47 113.55 108.41 2kd1 h SER 22 Ca -0.05 -0.54 -0.34 0.00 -1.23 0.00 0.00 61.79 59.64 2kd1 h SER 22 Cb 1.40 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 63.14 2kd1 h SER 22 CO 0.05 1.41 -0.21 1.33 -0.53 0.00 0.00 176.83 178.88 2kd1 n VAL 23 N -3.59 0.00 -1.81 2.23 0.24 -0.49 -5.13 118.33 109.77 2kd1 n VAL 23 Ca -0.10 -1.26 -0.31 0.00 -2.04 0.00 0.00 64.34 60.63 2kd1 n VAL 23 Cb 1.02 0.05 0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2kd1 n VAL 23 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kd1 s GLY 24 N -2.73 1.66 0.21 7.63 0.00 -1.26 -4.77 107.32 108.06 2kd1 s GLY 24 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 2kd1 s GLY 24 CO 0.05 0.22 1.76 -2.22 0.00 0.00 0.00 173.10 172.91 2kd1 h ILE 25 N -0.40 1.26 -0.33 0.90 1.08 -1.97 0.28 117.51 118.34 2kd1 h ILE 25 Ca -0.44 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.17 2kd1 h ILE 25 Cb 1.19 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2kd1 h ILE 25 CO 0.61 0.34 0.18 0.06 -0.69 0.00 0.00 178.15 178.65 2kd1 h GLN 26 N 1.13 0.45 -0.48 2.37 3.07 -1.97 -2.14 115.11 117.55 2kd1 h GLN 26 Ca 0.26 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.87 2kd1 h GLN 26 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 2kd1 h GLN 26 CO -0.02 0.38 0.01 1.15 0.09 0.00 0.00 178.83 180.44 2kd1 h THR 27 N 0.41 1.24 -0.34 1.86 2.02 -1.88 -2.94 112.91 113.28 2kd1 h THR 27 Ca 0.12 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 2kd1 h THR 27 Cb 0.05 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2kd1 h THR 27 CO -0.02 0.35 0.07 0.00 0.37 0.00 0.00 175.52 176.29 2kd1 h ALA 28 N 1.27 0.45 0.00 6.16 0.00 -0.78 -0.47 119.26 125.89 2kd1 h ALA 28 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kd1 h ALA 28 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kd1 h ALA 28 CO 0.02 0.13 -0.03 -0.22 0.00 0.00 0.00 179.25 179.15 2kd1 h LYS 29 N 0.39 0.00 0.22 0.00 3.11 -1.24 -0.49 116.57 118.55 2kd1 h LYS 29 Ca 0.10 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.62 2kd1 h LYS 29 Cb 0.33 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.59 2kd1 h LYS 29 CO 0.00 0.03 -1.43 0.28 -2.81 0.00 0.00 179.45 175.53 2kd1 h VAL 30 N 0.00 1.33 -0.43 2.00 2.07 -1.27 -2.61 116.25 117.34 2kd1 h VAL 30 Ca -0.00 -2.80 -0.10 0.00 0.82 0.00 0.00 66.70 64.62 2kd1 h VAL 30 Cb 0.07 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2kd1 h VAL 30 CO 0.00 0.84 -0.13 -0.07 0.02 0.00 0.00 177.57 178.23 2kd1 h LEU 31 N 0.12 0.79 -0.24 2.57 3.38 -0.05 -1.95 115.31 119.93 2kd1 h LEU 31 Ca -0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2kd1 h LEU 31 Cb 2.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2kd1 h LEU 31 CO 0.25 0.93 -0.18 0.50 0.09 0.00 0.00 178.44 180.03 2kd1 h LYS 32 N 0.71 0.00 -0.13 1.13 3.64 -1.25 -1.85 116.57 118.82 2kd1 h LYS 32 Ca 0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kd1 h LYS 32 Cb 0.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2kd1 h LYS 32 CO 0.04 0.18 0.03 0.78 -2.27 0.00 0.00 179.45 178.21 2kd1 h GLY 33 N 3.48 0.18 1.28 5.01 0.00 -0.96 -0.60 103.07 111.46 2kd1 h GLY 33 Ca -0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 47.33 46.93 2kd1 h GLY 33 CO 0.02 0.08 -1.38 -0.97 0.00 0.00 0.00 176.54 174.29 2kd1 h TYR 34 N 0.17 0.97 0.85 5.60 0.05 -1.00 -3.25 116.97 120.37 2kd1 h TYR 34 Ca 0.04 -0.67 -0.04 0.00 0.05 0.00 0.00 58.73 58.12 2kd1 h TYR 34 Cb 0.08 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 37.77 2kd1 h TYR 34 CO 0.00 1.51 -0.41 -0.07 -1.05 0.00 0.00 178.16 178.14 2kd1 h LEU 35 N 0.19 -0.97 -0.64 3.88 3.38 -1.00 -1.50 115.31 118.65 2kd1 h LEU 35 Ca -0.22 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2kd1 h LEU 35 Cb 2.06 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 43.03 2kd1 h LEU 35 CO 0.26 -0.70 0.41 0.78 0.09 0.00 0.00 178.44 179.28 2kd1 h ASN 36 N -1.15 0.68 0.04 -0.43 2.35 -1.30 0.10 115.58 115.87 2kd1 h ASN 36 Ca -0.12 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2kd1 h ASN 36 Cb 0.88 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2kd1 h ASN 36 CO 0.19 0.48 -0.02 -1.28 -1.65 0.00 0.00 177.43 175.16 2kd1 h SER 37 N 0.81 -0.04 0.00 5.81 0.87 -1.61 -3.36 113.55 116.03 2kd1 h SER 37 Ca 0.25 -0.55 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 2kd1 h SER 37 Cb -0.03 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2kd1 h SER 37 CO -0.08 0.55 -0.98 0.54 -0.53 0.00 0.00 176.83 176.33 2kd1 n ARG 38 N -4.83 0.51 0.08 2.24 5.12 -0.57 -4.68 116.66 114.53 2kd1 n ARG 38 Ca -0.09 0.37 -0.21 0.00 -1.93 0.00 0.00 57.85 55.99 2kd1 n ARG 38 Cb 0.30 -1.57 -0.15 0.00 -1.16 0.00 0.00 32.46 29.88 2kd1 n ARG 38 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2kd1 h ILE 39 N -1.00 1.42 -0.48 0.55 5.03 -1.07 -3.32 117.51 118.64 2kd1 h ILE 39 Ca -0.10 -2.55 0.07 0.00 -0.12 0.00 0.00 64.86 62.16 2kd1 h ILE 39 Cb 0.89 3.08 -0.06 0.00 -3.03 0.00 0.00 36.82 37.71 2kd1 h ILE 39 CO -0.06 0.74 0.15 0.40 -0.68 0.00 0.00 178.15 178.70 2kd1 h ILE 40 N -0.15 0.80 0.00 -0.67 5.03 -1.03 0.37 117.51 121.85 2kd1 h ILE 40 Ca -0.18 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 2kd1 h ILE 40 Cb 1.80 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 2kd1 h ILE 40 CO 0.19 0.06 0.00 1.55 -0.68 0.00 0.00 178.15 179.27 2kd1 h PRO 41 N 0.31 0.00 0.00 2.37 0.13 -1.76 -2.36 132.00 130.69 2kd1 h PRO 41 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2kd1 h PRO 41 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2kd1 h PRO 41 CO -0.27 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 177.95 2kd1 n SER 42 N -2.90 0.00 0.03 1.44 2.88 -0.41 -4.76 113.62 109.90 2kd1 n SER 42 Ca 0.02 0.07 0.11 0.00 -1.33 0.00 0.00 58.87 57.74 2kd1 n SER 42 Cb 0.38 -0.28 -0.10 0.00 -0.75 0.00 0.00 64.21 63.46 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kd1 n LEU 43 N -1.88 0.35 -0.00 2.46 4.77 0.11 -4.47 117.00 118.34 2kd1 n LEU 43 Ca 0.00 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2kd1 n LEU 43 Cb 0.00 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 2kd1 n LEU 43 CO 0.00 -0.04 0.75 1.23 -1.33 0.00 0.00 177.39 178.00 2kd1 h GLY 44 N 4.09 0.05 2.00 -0.72 0.00 -0.83 -2.67 103.07 104.99 2kd1 h GLY 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2kd1 h GLY 44 CO 0.00 0.03 0.00 3.43 0.00 0.00 0.00 176.54 180.00 2kd1 h ASN 45 N -0.21 0.00 -3.88 0.19 -0.26 -1.65 0.46 115.58 110.22 2kd1 h ASN 45 Ca 0.01 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.28 2kd1 h ASN 45 Cb 0.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 2kd1 h ASN 45 CO 0.00 0.00 0.29 -0.63 -1.06 0.00 0.00 177.43 176.03 2kd1 s ILE 46 N -3.64 4.35 0.38 2.81 1.01 -1.01 -4.93 121.20 120.17 2kd1 s ILE 46 Ca 0.01 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 2kd1 s ILE 46 Cb 0.09 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2kd1 s ILE 46 CO 0.44 -0.01 1.26 -0.54 0.00 0.00 0.00 174.94 176.09 2kd1 s LYS 47 N -2.45 4.11 0.28 2.79 -0.14 -1.26 -1.46 119.74 121.61 2kd1 s LYS 47 Ca 0.53 2.07 -0.03 0.00 -1.36 0.00 0.00 55.97 57.18 2kd1 s LYS 47 Cb -0.15 -2.83 0.38 0.00 -1.68 0.00 0.00 37.83 33.54 2kd1 s LYS 47 CO 0.20 -0.34 1.95 1.25 -0.76 0.00 0.00 175.35 177.65 2kd1 h LEU 48 N 2.89 1.03 -1.69 3.17 5.85 -1.79 -0.95 115.31 123.82 2kd1 h LEU 48 Ca -0.49 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2kd1 h LEU 48 Cb 1.24 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2kd1 h LEU 48 CO 0.63 0.74 -0.15 0.00 -0.34 0.00 0.00 178.44 179.33 2kd1 h ALA 49 N 1.44 1.19 -0.00 1.25 0.00 -1.85 -2.79 119.26 118.50 2kd1 h ALA 49 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kd1 h ALA 49 Cb -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kd1 h ALA 49 CO -0.07 0.19 -0.32 1.63 0.00 0.00 0.00 179.25 180.68 2kd1 n LYS 50 N -3.54 0.50 -1.88 0.00 4.76 -0.38 -4.77 118.16 112.84 2kd1 n LYS 50 Ca -0.01 -0.27 -0.29 0.00 -2.87 0.00 0.00 58.31 54.87 2kd1 n LYS 50 Cb 0.29 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.94 2kd1 n LYS 50 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kd1 s LEU 51 N -2.69 3.17 0.52 -0.35 1.02 -1.05 -4.94 118.68 114.36 2kd1 s LEU 51 Ca 0.20 0.01 0.06 0.00 0.02 0.00 0.00 54.13 54.42 2kd1 s LEU 51 Cb 0.19 -2.54 0.05 0.00 0.02 0.00 0.00 46.19 43.91 2kd1 s LEU 51 CO 0.58 -2.90 0.72 0.28 0.02 0.00 0.00 176.35 175.05 2kd1 s THR 52 N 11.08 2.59 0.19 5.49 -1.32 -1.26 -4.80 115.64 127.61 2kd1 s THR 52 Ca 0.78 -0.89 0.33 0.00 -1.21 0.00 0.00 61.69 60.70 2kd1 s THR 52 Cb -0.11 -2.70 0.37 0.00 -1.51 0.00 0.00 72.50 68.54 2kd1 s THR 52 CO 0.11 0.00 2.01 -1.28 -2.21 0.00 0.00 174.62 173.24 2kd1 h SER 53 N 0.26 0.00 -0.46 8.08 0.87 -1.93 -2.04 113.55 118.34 2kd1 h SER 53 Ca -0.37 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 2kd1 h SER 53 Cb 1.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 2kd1 h SER 53 CO 0.45 0.05 0.12 0.25 -0.53 0.00 0.00 176.83 177.16 2kd1 h LEU 54 N 0.00 0.69 -0.98 2.23 5.85 -1.95 -1.38 115.31 119.76 2kd1 h LEU 54 Ca -0.00 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 2kd1 h LEU 54 Cb 0.49 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2kd1 h LEU 54 CO 0.01 0.73 -0.01 0.45 -0.34 0.00 0.00 178.44 179.27 2kd1 h HIS 55 N 0.61 0.77 -0.41 1.25 3.86 -1.74 0.30 115.15 119.79 2kd1 h HIS 55 Ca 0.15 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2kd1 h HIS 55 Cb 0.30 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2kd1 h HIS 55 CO 0.02 0.73 0.15 0.52 0.86 0.00 0.00 177.93 180.21 2kd1 h MET 56 N 0.68 0.62 -0.37 2.45 2.86 -1.39 -1.69 114.93 118.09 2kd1 h MET 56 Ca 0.13 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2kd1 h MET 56 Cb 0.44 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2kd1 h MET 56 CO 0.02 0.59 0.07 0.37 1.06 0.00 0.00 176.91 179.02 2kd1 h GLN 57 N 0.51 0.61 -0.01 1.72 5.75 -0.93 -2.55 115.11 120.22 2kd1 h GLN 57 Ca 0.13 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2kd1 h GLN 57 Cb 0.21 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2kd1 h GLN 57 CO -0.01 0.66 -0.22 -0.91 -2.65 0.00 0.00 178.83 175.70 2kd1 h ASN 58 N 0.46 0.02 -0.02 -0.69 2.35 -0.84 0.56 115.58 117.41 2kd1 h ASN 58 Ca 0.11 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2kd1 h ASN 58 Cb 0.34 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2kd1 h ASN 58 CO 0.01 0.24 0.00 0.22 -1.65 0.00 0.00 177.43 176.25 2kd1 h TYR 59 N 0.02 0.04 -0.22 1.19 3.20 -1.16 -2.87 116.97 117.17 2kd1 h TYR 59 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2kd1 h TYR 59 Cb 0.40 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kd1 h TYR 59 CO 0.00 0.27 -0.12 0.28 -1.64 0.00 0.00 178.16 176.95 2kd1 h VAL 60 N -0.20 1.20 -0.23 1.81 2.07 -0.85 -2.95 116.25 117.09 2kd1 h VAL 60 Ca 0.01 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2kd1 h VAL 60 Cb 0.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2kd1 h VAL 60 CO 0.00 0.28 0.11 0.78 0.02 0.00 0.00 177.57 178.76 2kd1 h ASN 61 N 0.33 0.30 0.03 0.57 2.35 -0.91 -2.77 115.58 115.49 2kd1 h ASN 61 Ca 0.07 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2kd1 h ASN 61 Cb 0.42 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2kd1 h ASN 61 CO 0.02 0.34 -0.10 0.77 -1.65 0.00 0.00 177.43 176.82 2kd1 h SER 62 N 0.24 0.16 0.06 5.81 4.64 -1.34 -2.73 113.55 120.39 2kd1 h SER 62 Ca 0.08 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2kd1 h SER 62 Cb 0.12 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2kd1 h SER 62 CO -0.01 0.29 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.06 2kd1 h LEU 63 N 0.17 0.11 -0.35 5.97 3.38 -1.39 -0.70 115.31 122.50 2kd1 h LEU 63 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2kd1 h LEU 63 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2kd1 h LEU 63 CO 0.02 0.23 -0.11 -0.09 0.09 0.00 0.00 178.44 178.58 2kd1 h ARG 64 N 0.12 0.69 0.00 1.13 2.43 -1.49 -1.49 114.38 115.77 2kd1 h ARG 64 Ca 0.03 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2kd1 h ARG 64 Cb 0.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2kd1 h ARG 64 CO 0.02 0.87 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.69 2kd1 h ASP 65 N 0.48 0.00 1.46 -3.80 5.19 -1.35 -1.82 116.42 116.58 2kd1 h ASP 65 Ca 0.09 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2kd1 h ASP 65 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 2kd1 h ASP 65 CO 0.04 0.21 -0.43 -0.33 -3.12 0.00 0.00 179.24 175.61 2kd1 h GLU 66 N 0.00 0.00 -2.70 3.56 4.39 -1.00 -3.48 114.58 115.36 2kd1 h GLU 66 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2kd1 h GLU 66 Cb 0.59 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2kd1 h GLU 66 CO 0.03 0.43 -0.30 0.41 -1.16 0.00 0.00 179.01 178.43 2kd1 n GLY 67 N 1.08 0.17 3.77 -3.84 0.00 -0.62 -5.01 105.19 100.73 2kd1 n GLY 67 Ca 0.02 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 2kd1 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kd1 s LEU 68 N -3.59 4.39 0.48 0.99 1.43 -0.84 -5.05 118.68 116.49 2kd1 s LEU 68 Ca 0.19 2.29 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 2kd1 s LEU 68 Cb -0.08 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 2kd1 s LEU 68 CO 0.24 -0.36 0.83 -1.59 0.23 0.00 0.00 176.35 175.70 2kd1 s LYS 69 N -1.84 3.65 0.47 1.70 -2.85 -1.26 -4.84 119.74 114.77 2kd1 s LYS 69 Ca 0.50 0.42 0.19 0.00 -1.00 0.00 0.00 55.97 56.07 2kd1 s LYS 69 Cb -0.31 -2.32 1.18 0.00 -2.06 0.00 0.00 37.83 34.32 2kd1 s LYS 69 CO 0.39 -0.21 1.98 0.07 0.10 0.00 0.00 175.35 177.68 2kd1 h ARG 70 N 0.53 0.23 -0.26 1.78 0.11 -1.89 -0.46 114.38 114.43 2kd1 h ARG 70 Ca -0.47 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2kd1 h ARG 70 Cb 1.20 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2kd1 h ARG 70 CO 0.62 0.15 0.06 0.78 0.10 0.00 0.00 179.97 181.69 2kd1 h GLY 71 N 0.24 0.44 0.83 0.08 0.00 -1.93 -0.65 103.07 102.07 2kd1 h GLY 71 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2kd1 h GLY 71 CO -0.06 0.26 0.00 -0.84 0.00 0.00 0.00 176.54 175.90 2kd1 h THR 72 N 0.24 1.14 -0.66 4.70 2.02 -1.52 -2.92 112.91 115.92 2kd1 h THR 72 Ca 0.08 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2kd1 h THR 72 Cb 0.28 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2kd1 h THR 72 CO 0.00 0.11 0.39 0.40 0.37 0.00 0.00 175.52 176.79 2kd1 h ILE 73 N -0.17 1.19 0.04 3.11 2.04 -1.26 -2.52 117.51 119.95 2kd1 h ILE 73 Ca 0.00 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2kd1 h ILE 73 Cb 0.17 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2kd1 h ILE 73 CO -0.00 0.20 -0.14 -0.08 0.00 0.00 0.00 178.15 178.13 2kd1 h GLU 74 N 0.89 -0.24 0.08 2.37 4.81 -1.09 -1.61 114.58 119.80 2kd1 h GLU 74 Ca 0.24 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2kd1 h GLU 74 Cb -0.02 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2kd1 h GLU 74 CO -0.04 -0.16 -0.04 0.87 -0.73 0.00 0.00 179.01 178.91 2kd1 h LYS 75 N -0.25 -0.11 -0.16 1.92 1.57 -1.37 -0.91 116.57 117.26 2kd1 h LYS 75 Ca 0.03 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2kd1 h LYS 75 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2kd1 h LYS 75 CO -0.10 0.04 -0.19 -0.84 -0.57 0.00 0.00 179.45 177.79 2kd1 h ILE 76 N -0.24 1.21 -0.28 1.86 3.07 -1.39 -0.52 117.51 121.22 2kd1 h ILE 76 Ca -0.01 -0.98 -0.09 0.00 1.55 0.00 0.00 64.86 65.33 2kd1 h ILE 76 Cb 0.20 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 2kd1 h ILE 76 CO 0.02 0.30 -0.16 0.40 -1.05 0.00 0.00 178.15 177.66 2kd1 h ILE 77 N 0.25 1.30 -0.13 0.16 1.08 -1.13 -2.97 117.51 116.07 2kd1 h ILE 77 Ca 0.04 -1.26 -0.07 0.00 -0.39 0.00 0.00 64.86 63.18 2kd1 h ILE 77 Cb 0.49 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 2kd1 h ILE 77 CO 0.03 0.40 -0.21 0.11 -0.69 0.00 0.00 178.15 177.79 2kd1 h LYS 78 N 0.34 0.23 -0.58 2.37 1.79 -0.27 -0.73 116.57 119.72 2kd1 h LYS 78 Ca 0.06 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2kd1 h LYS 78 Cb 0.68 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2kd1 h LYS 78 CO 0.05 0.44 0.09 0.28 -1.08 0.00 0.00 179.45 179.23 2kd1 h VAL 79 N 0.21 1.26 -0.28 0.50 2.07 -1.15 -0.67 116.25 118.19 2kd1 h VAL 79 Ca 0.04 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 2kd1 h VAL 79 Cb 0.50 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2kd1 h VAL 79 CO 0.03 0.36 -0.04 0.40 0.02 0.00 0.00 177.57 178.34 2kd1 h ILE 80 N 0.85 1.27 -0.42 4.57 2.04 -1.24 -1.97 117.51 122.61 2kd1 h ILE 80 Ca 0.18 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2kd1 h ILE 80 Cb 0.42 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2kd1 h ILE 80 CO 0.01 0.33 0.27 0.03 0.00 0.00 0.00 178.15 178.78 2kd1 h ARG 81 N 0.28 0.56 -0.67 2.37 3.08 -1.08 -0.87 114.38 118.05 2kd1 h ARG 81 Ca 0.07 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2kd1 h ARG 81 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2kd1 h ARG 81 CO 0.02 0.39 0.11 -0.97 -1.07 0.00 0.00 179.97 178.45 2kd1 h ASN 82 N 0.56 1.07 -0.22 7.04 -0.73 -1.12 0.27 115.58 122.46 2kd1 h ASN 82 Ca 0.15 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2kd1 h ASN 82 Cb -0.04 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.26 2kd1 h ASN 82 CO -0.03 1.06 0.14 -1.28 -0.37 0.00 0.00 177.43 176.95 2kd1 h SER 83 N 1.04 0.26 1.00 1.15 0.87 -1.08 -1.49 113.55 115.30 2kd1 h SER 83 Ca 0.20 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2kd1 h SER 83 Cb 0.45 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kd1 h SER 83 CO 0.01 0.21 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.18 2kd1 h LEU 84 N 0.28 0.00 -0.46 2.23 3.38 -0.86 -0.31 115.31 119.58 2kd1 h LEU 84 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2kd1 h LEU 84 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kd1 h LEU 84 CO -0.02 0.27 -0.13 -0.33 0.09 0.00 0.00 178.44 178.32 2kd1 h GLU 85 N 0.00 0.90 0.00 1.13 4.39 -0.71 -1.68 114.58 118.60 2kd1 h GLU 85 Ca -0.00 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 2kd1 h GLU 85 Cb 0.85 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2kd1 h GLU 85 CO 0.04 1.00 -0.21 1.25 -1.16 0.00 0.00 179.01 179.93 2kd1 h HIS 86 N 0.74 0.00 -0.02 4.33 2.76 -0.76 -1.15 115.15 121.04 2kd1 h HIS 86 Ca 0.11 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.11 2kd1 h HIS 86 Cb 0.68 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2kd1 h HIS 86 CO 0.05 0.21 -0.75 0.00 -1.30 0.00 0.00 177.93 176.14 2kd1 h ALA 87 N 1.79 0.70 -0.39 5.26 0.00 -0.89 -0.83 119.26 124.91 2kd1 h ALA 87 Ca -0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 2kd1 h ALA 87 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kd1 h ALA 87 CO 0.03 0.85 -0.39 0.82 0.00 0.00 0.00 179.25 180.56 2kd1 h ILE 88 N 0.11 1.27 -0.41 0.00 2.04 -0.96 0.39 117.51 119.95 2kd1 h ILE 88 Ca -0.02 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.32 2kd1 h ILE 88 Cb 1.31 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 2kd1 h ILE 88 CO 0.11 0.52 0.17 -0.78 0.00 0.00 0.00 178.15 178.18 2kd1 h ASP 89 N 0.77 0.22 0.90 1.72 3.58 -1.12 -1.41 116.42 121.08 2kd1 h ASP 89 Ca 0.06 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2kd1 h ASP 89 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2kd1 h ASP 89 CO 0.10 0.16 -0.04 0.18 -2.88 0.00 0.00 179.24 176.76 2kd1 n LEU 90 N -4.97 0.05 -0.65 2.28 4.77 -0.33 -4.93 117.00 113.22 2kd1 n LEU 90 Ca 0.02 0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 56.35 2kd1 n LEU 90 Cb 0.13 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2kd1 n LEU 90 CO 0.28 0.01 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.65 2kd1 n GLU 91 N -1.46 -0.70 0.25 3.23 1.02 -0.21 -4.90 120.64 117.86 2kd1 n GLU 91 Ca 0.08 0.77 0.09 0.00 -0.02 0.00 0.00 57.16 58.08 2kd1 n GLU 91 Cb 0.33 -4.65 0.63 0.00 -0.02 0.00 0.00 31.44 27.73 2kd1 n GLU 91 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kd1 h LEU 92 N 0.00 0.00 -8.03 -4.62 3.38 -0.58 -3.43 115.31 102.03 2kd1 h LEU 92 Ca -0.17 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 2kd1 h LEU 92 Cb 0.61 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.16 2kd1 h LEU 92 CO 0.25 0.14 -0.70 0.27 0.09 0.00 0.00 178.44 178.49 2kd1 s ILE 93 N -4.46 0.18 -0.13 1.22 -4.36 -1.08 -4.73 121.20 107.84 2kd1 s ILE 93 Ca -0.04 -1.03 0.18 0.00 -0.26 0.00 0.00 60.65 59.51 2kd1 s ILE 93 Cb 0.15 -0.44 -0.17 0.00 1.25 0.00 0.00 42.46 43.25 2kd1 s ILE 93 CO 0.64 -0.54 0.68 0.35 0.24 0.00 0.00 174.94 176.32 2kd1 n THR 94 N 1.42 1.03 -4.47 8.37 -2.24 -1.26 -3.98 114.28 113.15 2kd1 n THR 94 Ca -0.23 -0.68 -0.22 0.00 -2.27 0.00 0.00 64.05 60.65 2kd1 n THR 94 Cb 0.56 -0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 68.05 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kd1 s LYS 95 N -2.97 1.25 -0.34 -0.78 2.20 -1.26 -5.03 119.74 112.82 2kd1 s LYS 95 Ca -0.04 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 2kd1 s LYS 95 Cb 0.09 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2kd1 s LYS 95 CO 0.83 0.08 1.39 1.21 -0.36 0.00 0.00 175.35 178.49 2kd1 s ASN 96 N 0.41 6.48 0.35 1.43 3.84 -1.26 -4.90 114.94 121.29 2kd1 s ASN 96 Ca -0.08 1.08 0.26 0.00 0.21 0.00 0.00 52.86 54.33 2kd1 s ASN 96 Cb -0.12 -2.54 0.74 0.00 -0.55 0.00 0.00 41.25 38.78 2kd1 s ASN 96 CO 0.02 -1.27 1.74 -0.37 -2.79 0.00 0.00 177.10 174.43 2kd1 h VAL 97 N 6.22 0.00 -0.07 -5.21 -1.51 -1.94 -2.84 116.25 110.91 2kd1 h VAL 97 Ca -0.28 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2kd1 h VAL 97 Cb 1.11 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2kd1 h VAL 97 CO 1.05 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.39 2kd1 n ALA 98 N -1.95 2.55 0.22 5.19 0.00 -1.26 -3.65 120.51 121.61 2kd1 n ALA 98 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.05 2kd1 n ALA 98 Cb 0.42 -1.13 0.48 0.00 0.00 0.00 0.00 19.45 19.22 2kd1 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd1 h ALA 99 N 4.27 1.58 0.00 0.00 0.00 -1.88 -1.78 119.26 121.45 2kd1 h ALA 99 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kd1 h ALA 99 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kd1 h ALA 99 CO 0.00 0.29 -0.34 0.87 0.00 0.00 0.00 179.25 180.06 2kd1 h LYS 100 N 0.00 0.00 -6.24 0.00 1.79 -1.77 -3.43 116.57 106.92 2kd1 h LYS 100 Ca -0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2kd1 h LYS 100 Cb 0.41 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 2kd1 h LYS 100 CO 0.03 0.34 1.25 0.99 -1.08 0.00 0.00 179.45 180.98 2kd1 s THR 101 N -3.05 3.82 0.36 -0.16 2.01 -0.67 -4.99 115.64 112.95 2kd1 s THR 101 Ca 0.05 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.01 2kd1 s THR 101 Cb 0.07 -4.98 -0.02 0.00 0.01 0.00 0.00 72.50 67.58 2kd1 s THR 101 CO 0.72 -1.89 0.39 -1.59 -0.69 0.00 0.00 174.62 171.56 2kd1 s LYS 102 N 5.39 2.82 -0.10 4.92 0.00 -1.26 -4.97 119.74 126.54 2kd1 s LYS 102 Ca 0.40 -1.25 -0.29 0.00 0.00 0.00 0.00 55.97 54.83 2kd1 s LYS 102 Cb -0.05 -2.60 -0.05 0.00 0.00 0.00 0.00 37.83 35.13 2kd1 s LYS 102 CO 0.04 -0.01 1.77 -1.17 0.00 0.00 0.00 175.35 175.98 2kd1 s LEU 103 N -4.11 4.14 0.41 2.77 2.96 -1.26 -5.02 118.68 118.56 2kd1 s LEU 103 Ca 0.45 2.12 -0.25 0.00 -0.22 0.00 0.00 54.13 56.24 2kd1 s LEU 103 Cb -0.07 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 2kd1 s LEU 103 CO 0.29 -1.15 1.15 -2.16 -1.32 0.00 0.00 176.35 173.15 2kd1 s PRO 104 N 4.55 4.03 -0.90 0.98 0.04 -1.26 -4.97 135.00 137.47 2kd1 s PRO 104 Ca 0.79 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 2kd1 s PRO 104 Cb -0.33 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 2kd1 s PRO 104 CO 0.33 -0.32 1.77 0.15 0.04 0.00 0.00 177.00 178.96 2kd1 s LYS 105 N -2.39 2.88 -1.36 4.56 1.02 -1.26 -4.84 119.74 118.35 2kd1 s LYS 105 Ca 0.58 -0.43 -0.16 0.00 0.02 0.00 0.00 55.97 55.97 2kd1 s LYS 105 Cb -0.29 -5.04 0.06 0.00 -0.52 0.00 0.00 37.83 32.04 2kd1 s LYS 105 CO 0.36 -2.93 1.92 0.00 -0.92 0.00 0.00 175.35 173.78 2kd1 n ALA 106 N 12.22 4.29 -1.88 5.17 0.00 -1.26 -4.98 120.51 134.07 2kd1 n ALA 106 Ca 0.34 -3.86 -0.32 0.00 0.00 0.00 0.00 53.44 49.60 2kd1 n ALA 106 Cb 0.49 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.30 2kd1 n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kd1 s ASP 107 N 3.83 6.79 0.03 0.00 2.15 -1.26 -4.01 116.67 124.20 2kd1 s ASP 107 Ca 0.51 1.58 0.08 0.00 0.43 0.00 0.00 52.55 55.15 2kd1 s ASP 107 Cb 0.08 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2kd1 s ASP 107 CO 0.02 -0.42 -0.22 -0.54 -0.17 0.00 0.00 175.17 173.83 2kd1 s LYS 108 N -3.50 2.00 -0.46 4.34 1.02 -1.26 -5.09 119.74 116.79 2kd1 s LYS 108 Ca 0.60 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 2kd1 s LYS 108 Cb -0.09 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2kd1 s LYS 108 CO 0.21 0.54 1.26 -1.21 -0.92 0.00 0.00 175.35 175.23 2kd1 s GLU 109 N -1.17 3.63 -0.39 1.68 2.02 -1.26 -4.95 118.70 118.26 2kd1 s GLU 109 Ca 0.12 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.83 2kd1 s GLU 109 Cb -0.10 -3.97 0.16 0.00 0.10 0.00 0.00 34.13 30.32 2kd1 s GLU 109 CO 0.03 -1.50 0.36 -1.83 0.02 0.00 0.00 175.26 172.33 2kd1 s GLU 110 N 4.73 0.74 -0.14 1.61 -1.05 -1.26 -4.99 118.70 118.35 2kd1 s GLU 110 Ca 0.53 -1.41 -0.25 0.00 -0.15 0.00 0.00 54.97 53.70 2kd1 s GLU 110 Cb -0.10 -1.03 -0.22 0.00 -0.44 0.00 0.00 34.13 32.34 2kd1 s GLU 110 CO 0.32 -1.28 0.64 -0.07 0.95 0.00 0.00 175.26 175.82 2kd1 h LEU 111 N 6.39 0.00 -6.88 1.83 3.38 -2.09 -3.42 115.31 114.52 2kd1 h LEU 111 Ca 0.13 -0.84 -0.60 0.00 0.09 0.00 0.00 57.88 56.66 2kd1 h LEU 111 Cb 0.99 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 2kd1 h LEU 111 CO 0.25 0.96 -0.77 -1.61 0.09 0.00 0.00 178.44 177.36 2kd1 s GLU 112 N -2.14 1.01 -0.02 1.13 2.02 -1.26 -5.11 118.70 114.32 2kd1 s GLU 112 Ca -0.17 -1.71 0.01 0.00 0.02 0.00 0.00 54.97 53.12 2kd1 s GLU 112 Cb -0.02 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2kd1 s GLU 112 CO 0.59 -1.16 -0.01 -1.58 0.02 0.00 0.00 175.26 173.12 2kd1 s HIS 113 N 0.70 0.31 -0.26 1.61 2.46 -1.26 -5.14 115.29 113.70 2kd1 s HIS 113 Ca 0.17 -0.02 -0.13 0.00 0.47 0.00 0.00 55.06 55.55 2kd1 s HIS 113 Cb -0.23 -0.33 0.09 0.00 -0.13 0.00 0.00 32.58 31.98 2kd1 s HIS 113 CO -0.02 -0.08 0.61 -3.38 -2.47 0.00 0.00 174.74 169.40 2kd1 s HIS 114 N 0.61 -1.04 0.11 3.88 -3.43 -1.26 -5.03 115.29 109.12 2kd1 s HIS 114 Ca -0.06 2.00 -0.10 0.00 -0.80 0.00 0.00 55.06 56.10 2kd1 s HIS 114 Cb -0.09 0.59 -0.15 0.00 -1.43 0.00 0.00 32.58 31.50 2kd1 s HIS 114 CO -0.01 -0.53 1.28 1.12 -2.00 0.00 0.00 174.74 174.60 2kd1 h HIS 115 N 7.34 0.90 0.00 0.38 2.07 -2.04 -3.48 115.15 120.33 2kd1 h HIS 115 Ca -0.27 -0.46 0.00 0.00 -2.85 0.00 0.00 60.37 56.79 2kd1 h HIS 115 Cb 1.18 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2kd1 h HIS 115 CO 0.13 1.28 0.00 1.58 -3.07 0.00 0.00 177.93 177.84 2kd1 n HIS 116 N -3.85 0.00 -3.45 6.12 -0.00 -1.26 -4.35 115.22 108.43 2kd1 n HIS 116 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.65 2kd1 n HIS 116 Cb 0.82 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.77 2kd1 n HIS 116 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd1 s HIS 117 N 0.00 -1.22 0.00 1.57 3.76 -1.26 -5.35 115.29 112.78 2kd1 s HIS 117 Ca 0.00 1.84 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 2kd1 s HIS 117 Cb 0.00 0.63 0.00 0.00 1.11 0.00 0.00 32.58 34.32 2kd1 s HIS 117 CO 0.00 -0.63 0.00 -2.39 -0.85 0.00 0.00 174.74 170.87