#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 s GLU 2 N 0.00 4.26 0.29 0.03 8.01 -1.26 -5.05 118.70 124.98 2kd1 s GLU 2 Ca 0.00 1.96 -0.05 0.00 0.01 0.00 0.00 54.97 56.89 2kd1 s GLU 2 Cb 0.00 -2.90 0.07 0.00 -4.31 0.00 0.00 34.13 26.99 2kd1 s GLU 2 CO 0.00 -0.18 0.22 -0.35 0.01 0.00 0.00 175.26 174.96 2kd1 n PRO 3 N 0.52 -1.92 -0.43 0.39 -0.04 -1.26 -4.87 135.00 127.38 2kd1 n PRO 3 Ca 0.02 -0.35 -0.04 0.00 -0.04 0.00 0.00 63.50 63.08 2kd1 n PRO 3 Cb 0.45 -0.38 0.02 0.00 -0.04 0.00 0.00 33.50 33.55 2kd1 n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kd1 n SER 4 N -3.49 4.66 -3.75 3.54 2.88 -1.26 -4.71 113.62 111.50 2kd1 n SER 4 Ca 0.03 -2.44 -0.42 0.00 -1.33 0.00 0.00 58.87 54.71 2kd1 n SER 4 Cb 0.13 -0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 2kd1 n SER 4 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kd1 n LYS 5 N 0.83 2.25 -3.15 -1.46 5.02 -1.26 -4.62 118.16 115.76 2kd1 n LYS 5 Ca 0.08 -2.30 0.06 0.00 -2.02 0.00 0.00 58.31 54.13 2kd1 n LYS 5 Cb 0.57 -3.15 -0.01 0.00 -0.02 0.00 0.00 35.03 32.42 2kd1 n LYS 5 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kd1 s LEU 6 N 2.13 -0.01 0.30 -0.35 2.96 -1.26 -5.11 118.68 117.33 2kd1 s LEU 6 Ca 0.52 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 2kd1 s LEU 6 Cb 0.13 1.01 -0.10 0.00 0.50 0.00 0.00 46.19 47.74 2kd1 s LEU 6 CO 0.01 -0.00 1.15 -0.44 -1.32 0.00 0.00 176.35 175.75 2kd1 s SER 7 N 3.00 7.11 0.50 3.68 0.01 -1.26 -1.63 113.70 125.11 2kd1 s SER 7 Ca 0.03 2.36 0.15 0.00 1.31 0.00 0.00 55.95 59.80 2kd1 s SER 7 Cb -0.05 -2.63 1.21 0.00 0.21 0.00 0.00 66.02 64.75 2kd1 s SER 7 CO -0.11 -0.26 2.12 0.22 0.41 0.00 0.00 173.24 175.62 2kd1 h TYR 8 N 3.63 0.09 -0.90 2.43 3.20 -1.19 -1.06 116.97 123.17 2kd1 h TYR 8 Ca -0.47 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 2kd1 h TYR 8 Cb 1.22 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2kd1 h TYR 8 CO 0.58 0.06 0.50 0.78 -1.64 0.00 0.00 178.16 178.43 2kd1 h GLY 9 N 0.10 1.33 1.50 1.82 0.00 -1.40 -0.82 103.07 105.59 2kd1 h GLY 9 Ca 0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 2kd1 h GLY 9 CO -0.01 0.57 -0.45 0.83 0.00 0.00 0.00 176.54 177.49 2kd1 h GLU 10 N 1.25 0.54 -0.43 4.80 4.39 -1.44 -2.96 114.58 120.73 2kd1 h GLU 10 Ca 0.32 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2kd1 h GLU 10 Cb 0.02 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kd1 h GLU 10 CO -0.05 0.89 -0.11 -0.92 -1.16 0.00 0.00 179.01 177.66 2kd1 h TYR 11 N 0.44 0.84 0.00 4.33 3.20 -1.03 -2.83 116.97 121.91 2kd1 h TYR 11 Ca 0.03 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2kd1 h TYR 11 Cb 0.96 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2kd1 h TYR 11 CO 0.04 0.83 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.22 2kd1 h LEU 12 N 0.69 0.00 0.23 2.82 3.38 -1.00 -1.09 115.31 120.35 2kd1 h LEU 12 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2kd1 h LEU 12 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kd1 h LEU 12 CO 0.04 0.10 -0.11 -0.33 0.09 0.00 0.00 178.44 178.23 2kd1 h GLU 13 N 0.00 -0.30 -0.57 1.13 4.39 -1.43 -1.03 114.58 116.76 2kd1 h GLU 13 Ca -0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2kd1 h GLU 13 Cb 0.19 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2kd1 h GLU 13 CO 0.01 0.02 0.33 0.77 -1.16 0.00 0.00 179.01 178.99 2kd1 h SER 14 N -0.66 0.70 -0.61 1.42 0.02 -1.41 -1.27 113.55 111.75 2kd1 h SER 14 Ca -0.03 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2kd1 h SER 14 Cb 0.46 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2kd1 h SER 14 CO 0.05 0.57 0.34 -0.25 -1.14 0.00 0.00 176.83 176.40 2kd1 h TRP 15 N 0.77 0.83 -0.39 3.45 7.01 -1.30 -3.05 115.95 123.28 2kd1 h TRP 15 Ca 0.20 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2kd1 h TRP 15 Cb 0.01 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 2kd1 h TRP 15 CO -0.02 0.60 0.19 0.35 -2.79 0.00 0.00 178.44 176.77 2kd1 h PHE 16 N 0.83 0.56 -0.92 2.65 3.57 -0.50 -0.88 116.94 122.25 2kd1 h PHE 16 Ca 0.22 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.76 2kd1 h PHE 16 Cb 0.03 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 2kd1 h PHE 16 CO -0.01 0.46 0.58 -0.91 -2.23 0.00 0.00 178.31 176.20 2kd1 h ASN 17 N 0.49 0.91 -0.63 0.41 2.35 -1.23 0.05 115.58 117.92 2kd1 h ASN 17 Ca 0.13 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2kd1 h ASN 17 Cb 0.11 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2kd1 h ASN 17 CO -0.02 0.57 0.11 0.74 -1.65 0.00 0.00 177.43 177.18 2kd1 h THR 18 N 1.03 1.26 0.00 2.81 2.02 -1.38 -3.17 112.91 115.48 2kd1 h THR 18 Ca 0.41 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 2kd1 h THR 18 Cb 0.21 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2kd1 h THR 18 CO -0.19 0.38 -0.34 0.50 0.37 0.00 0.00 175.52 176.24 2kd1 h LYS 19 N 1.00 0.00 -0.19 6.66 1.63 0.37 -2.74 116.57 123.30 2kd1 h LYS 19 Ca 0.20 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 2kd1 h LYS 19 Cb 0.41 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2kd1 h LYS 19 CO 0.01 0.34 0.18 0.00 -3.45 0.00 0.00 179.45 176.53 2kd1 h ARG 20 N 0.00 0.00 -0.15 1.90 3.08 -1.04 -0.29 114.38 117.89 2kd1 h ARG 20 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 2kd1 h ARG 20 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.99 2kd1 h ARG 20 CO 0.04 0.00 -0.76 0.45 -1.07 0.00 0.00 179.97 178.64 2kd1 h HIS 21 N 0.00 0.98 0.00 3.04 3.86 -1.65 -3.40 115.15 117.98 2kd1 h HIS 21 Ca 0.09 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2kd1 h HIS 21 Cb 0.46 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2kd1 h HIS 21 CO 0.00 1.25 -0.03 0.77 0.86 0.00 0.00 177.93 180.78 2kd1 h SER 22 N 0.50 0.00 -4.13 2.45 0.02 -1.23 -3.47 113.55 107.69 2kd1 h SER 22 Ca -0.05 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.42 2kd1 h SER 22 Cb 1.38 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.99 2kd1 h SER 22 CO 0.15 0.43 0.31 0.68 -1.14 0.00 0.00 176.83 177.26 2kd1 s VAL 23 N -1.49 3.48 0.92 2.27 -7.23 -0.42 -5.07 120.40 112.86 2kd1 s VAL 23 Ca -0.01 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.30 2kd1 s VAL 23 Cb 0.00 -3.44 0.15 0.00 0.56 0.00 0.00 36.38 33.65 2kd1 s VAL 23 CO 0.01 -0.53 1.09 -0.83 -0.31 0.00 0.00 175.10 174.53 2kd1 s GLY 24 N -4.35 1.62 0.14 2.32 0.00 -1.26 -4.72 107.32 101.08 2kd1 s GLY 24 Ca 0.57 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 45.14 2kd1 s GLY 24 CO 0.49 0.53 1.79 -2.22 0.00 0.00 0.00 173.10 173.68 2kd1 h ILE 25 N -1.70 1.04 -0.40 0.90 1.08 -1.98 -0.03 117.51 116.43 2kd1 h ILE 25 Ca -0.50 -0.13 -0.08 0.00 -0.39 0.00 0.00 64.86 63.76 2kd1 h ILE 25 Cb 1.28 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2kd1 h ILE 25 CO 0.52 0.07 -0.05 0.06 -0.69 0.00 0.00 178.15 178.07 2kd1 h GLN 26 N 0.39 0.73 -0.87 2.37 3.07 -2.00 -2.65 115.11 116.14 2kd1 h GLN 26 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2kd1 h GLN 26 Cb -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.46 2kd1 h GLN 26 CO -0.06 0.85 0.49 1.15 0.09 0.00 0.00 178.83 181.35 2kd1 h THR 27 N 0.55 1.25 -0.40 1.86 2.02 -1.88 -2.79 112.91 113.52 2kd1 h THR 27 Ca 0.11 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2kd1 h THR 27 Cb 0.55 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2kd1 h THR 27 CO 0.03 0.28 0.17 0.00 0.37 0.00 0.00 175.52 176.37 2kd1 h ALA 28 N 1.26 0.52 -0.84 6.16 0.00 -0.88 -1.27 119.26 124.22 2kd1 h ALA 28 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2kd1 h ALA 28 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2kd1 h ALA 28 CO -0.05 0.11 0.55 -0.22 0.00 0.00 0.00 179.25 179.64 2kd1 h LYS 29 N 0.51 1.02 -0.02 0.00 3.11 -1.28 -1.19 116.57 118.72 2kd1 h LYS 29 Ca 0.14 -0.06 -0.25 0.00 -2.81 0.00 0.00 60.65 57.66 2kd1 h LYS 29 Cb 0.17 -0.23 0.02 0.00 -1.00 0.00 0.00 32.23 31.18 2kd1 h LYS 29 CO -0.01 0.68 -0.98 0.28 -2.81 0.00 0.00 179.45 176.60 2kd1 h VAL 30 N 1.05 1.28 -0.58 2.00 2.07 -1.21 -0.93 116.25 119.93 2kd1 h VAL 30 Ca 0.33 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 2kd1 h VAL 30 Cb 0.01 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2kd1 h VAL 30 CO -0.09 0.68 0.22 -0.07 0.02 0.00 0.00 177.57 178.32 2kd1 h LEU 31 N 0.39 0.82 -0.50 2.57 3.38 -0.87 -1.67 115.31 119.44 2kd1 h LEU 31 Ca -0.12 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.51 2kd1 h LEU 31 Cb 1.63 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2kd1 h LEU 31 CO 0.19 0.78 -0.75 0.50 0.09 0.00 0.00 178.44 179.26 2kd1 h LYS 32 N 0.81 0.08 -0.13 1.13 3.64 -1.28 -1.67 116.57 119.16 2kd1 h LYS 32 Ca 0.19 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kd1 h LYS 32 Cb 0.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2kd1 h LYS 32 CO -0.01 0.79 0.03 0.78 -2.27 0.00 0.00 179.45 178.76 2kd1 h GLY 33 N 2.00 0.19 1.55 5.01 0.00 -0.81 -1.40 103.07 109.60 2kd1 h GLY 33 Ca -0.02 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2kd1 h GLY 33 CO 0.10 0.08 -1.16 -0.97 0.00 0.00 0.00 176.54 174.59 2kd1 h TYR 34 N 0.18 0.61 0.94 5.60 0.05 -0.99 -3.22 116.97 120.14 2kd1 h TYR 34 Ca 0.04 -0.40 -0.05 0.00 0.05 0.00 0.00 58.73 58.38 2kd1 h TYR 34 Cb 0.08 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 37.78 2kd1 h TYR 34 CO 0.00 1.27 -0.45 -0.07 -1.05 0.00 0.00 178.16 177.86 2kd1 h LEU 35 N 0.15 -1.06 -1.32 3.88 3.38 -0.46 -0.60 115.31 119.27 2kd1 h LEU 35 Ca -0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kd1 h LEU 35 Cb 1.84 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 2kd1 h LEU 35 CO 0.20 -0.75 0.27 0.78 0.09 0.00 0.00 178.44 179.03 2kd1 h ASN 36 N -1.28 0.65 0.12 -0.43 2.35 -1.47 -0.24 115.58 115.29 2kd1 h ASN 36 Ca -0.13 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.38 2kd1 h ASN 36 Cb 0.96 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.18 2kd1 h ASN 36 CO 0.21 0.55 -0.89 -1.28 -1.65 0.00 0.00 177.43 174.37 2kd1 h SER 37 N 0.74 0.40 0.00 5.81 0.87 -1.55 -3.38 113.55 116.44 2kd1 h SER 37 Ca 0.19 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.80 2kd1 h SER 37 Cb 0.06 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2kd1 h SER 37 CO -0.03 1.41 -1.04 0.54 -0.53 0.00 0.00 176.83 177.19 2kd1 n ARG 38 N -4.13 0.53 0.10 2.24 5.12 -0.24 -4.65 116.66 115.62 2kd1 n ARG 38 Ca -0.16 0.24 -0.17 0.00 -1.93 0.00 0.00 57.85 55.83 2kd1 n ARG 38 Cb 0.81 -1.46 -0.12 0.00 -1.16 0.00 0.00 32.46 30.53 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 1.41 -0.19 0.55 5.03 -1.27 -3.07 117.51 118.97 2kd1 h ILE 39 Ca -0.04 -2.76 -0.00 0.00 -0.12 0.00 0.00 64.86 61.93 2kd1 h ILE 39 Cb 0.99 2.78 -0.01 0.00 -3.03 0.00 0.00 36.82 37.55 2kd1 h ILE 39 CO -0.02 0.82 0.11 0.40 -0.68 0.00 0.00 178.15 178.78 2kd1 h ILE 40 N 0.15 1.08 -0.84 -0.67 5.03 -1.27 0.34 117.51 121.34 2kd1 h ILE 40 Ca -0.14 -0.21 0.08 0.00 -0.12 0.00 0.00 64.86 64.46 2kd1 h ILE 40 Cb 1.89 0.88 -0.06 0.00 -3.03 0.00 0.00 36.82 36.50 2kd1 h ILE 40 CO 0.21 0.08 0.54 -0.65 -0.68 0.00 0.00 178.15 177.65 2kd1 h PRO 41 N 0.22 0.85 0.00 2.37 0.11 -1.75 -2.29 132.00 131.51 2kd1 h PRO 41 Ca 0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2kd1 h PRO 41 Cb 0.03 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2kd1 h PRO 41 CO -0.01 0.56 0.00 0.43 -0.21 0.00 0.00 178.00 178.77 2kd1 n SER 42 N -4.50 0.00 -0.47 -2.05 7.64 -0.93 -4.68 113.62 108.62 2kd1 n SER 42 Ca 0.13 0.38 0.07 0.00 1.01 0.00 0.00 58.87 60.46 2kd1 n SER 42 Cb 0.25 -0.48 0.04 0.00 -1.01 0.00 0.00 64.21 63.02 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kd1 n LEU 43 N -2.03 1.91 0.16 -3.43 4.77 0.99 -4.67 117.00 114.70 2kd1 n LEU 43 Ca 0.00 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.93 2kd1 n LEU 43 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2kd1 n LEU 43 CO 0.00 0.35 0.63 1.23 -1.33 0.00 0.00 177.39 178.28 2kd1 h GLY 44 N 2.81 -0.41 1.79 -0.72 0.00 -0.40 -2.96 103.07 103.17 2kd1 h GLY 44 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 2kd1 h GLY 44 CO 0.00 -0.15 -0.41 -0.57 0.00 0.00 0.00 176.54 175.41 2kd1 h ASN 45 N -0.62 0.25 -3.50 0.19 -0.73 -1.85 -1.32 115.58 108.00 2kd1 h ASN 45 Ca -0.04 -0.10 -0.53 0.00 1.87 0.00 0.00 56.30 57.50 2kd1 h ASN 45 Cb 0.44 -0.07 0.07 0.00 0.27 0.00 0.00 38.32 39.04 2kd1 h ASN 45 CO 0.07 0.64 0.78 -0.63 -0.37 0.00 0.00 177.43 177.92 2kd1 s ILE 46 N -4.14 2.42 0.39 2.57 1.01 -1.12 -4.75 121.20 117.58 2kd1 s ILE 46 Ca -0.04 0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.73 2kd1 s ILE 46 Cb 0.13 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 2kd1 s ILE 46 CO 0.77 0.07 1.06 -0.54 0.00 0.00 0.00 174.94 176.30 2kd1 s LYS 47 N -0.80 4.20 0.23 2.79 -0.14 -1.26 -1.40 119.74 123.36 2kd1 s LYS 47 Ca 0.58 1.57 -0.06 0.00 -1.36 0.00 0.00 55.97 56.70 2kd1 s LYS 47 Cb -0.44 -2.61 0.37 0.00 -1.68 0.00 0.00 37.83 33.47 2kd1 s LYS 47 CO 0.48 -0.13 1.78 1.25 -0.76 0.00 0.00 175.35 177.98 2kd1 h LEU 48 N 2.63 0.50 -1.64 3.17 5.85 -1.59 -1.17 115.31 123.06 2kd1 h LEU 48 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2kd1 h LEU 48 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2kd1 h LEU 48 CO 0.63 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 2kd1 h ALA 49 N 1.45 1.00 -0.01 1.25 0.00 -1.84 -2.81 119.26 118.31 2kd1 h ALA 49 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2kd1 h ALA 49 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kd1 h ALA 49 CO -0.28 0.00 -0.14 1.63 0.00 0.00 0.00 179.25 180.45 2kd1 n LYS 50 N -2.99 1.11 -1.97 0.00 4.76 -0.44 -4.77 118.16 113.85 2kd1 n LYS 50 Ca 0.00 -0.61 -0.25 0.00 -2.87 0.00 0.00 58.31 54.59 2kd1 n LYS 50 Cb 0.26 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.31 3.10 0.55 -0.35 1.02 -1.06 -4.95 118.68 114.67 2kd1 s LEU 51 Ca 0.30 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 53.80 2kd1 s LEU 51 Cb 0.20 -2.56 0.04 0.00 0.02 0.00 0.00 46.19 43.89 2kd1 s LEU 51 CO 0.45 -2.98 0.77 0.28 0.02 0.00 0.00 176.35 174.89 2kd1 s THR 52 N 10.99 2.65 0.41 5.49 -1.32 -1.26 -4.68 115.64 127.91 2kd1 s THR 52 Ca 0.73 -0.70 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 2kd1 s THR 52 Cb -0.07 -2.94 0.21 0.00 -1.51 0.00 0.00 72.50 68.18 2kd1 s THR 52 CO 0.02 0.00 1.98 -1.28 -2.21 0.00 0.00 174.62 173.13 2kd1 h SER 53 N 0.08 0.00 -0.00 8.08 0.87 -1.93 -1.63 113.55 119.02 2kd1 h SER 53 Ca -0.41 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 2kd1 h SER 53 Cb 1.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2kd1 h SER 53 CO 0.50 0.20 -0.07 0.25 -0.53 0.00 0.00 176.83 177.18 2kd1 h LEU 54 N 0.00 0.17 -0.70 2.23 5.85 -1.95 -1.29 115.31 119.62 2kd1 h LEU 54 Ca -0.00 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2kd1 h LEU 54 Cb 0.42 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2kd1 h LEU 54 CO 0.03 0.28 0.07 0.45 -0.34 0.00 0.00 178.44 178.92 2kd1 h HIS 55 N 0.18 1.15 -0.01 1.25 3.86 -1.67 -0.37 115.15 119.54 2kd1 h HIS 55 Ca 0.04 -0.17 -0.21 0.00 -1.16 0.00 0.00 60.37 58.87 2kd1 h HIS 55 Cb 0.25 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2kd1 h HIS 55 CO 0.00 0.98 -0.90 0.52 0.86 0.00 0.00 177.93 179.39 2kd1 h MET 56 N 1.00 0.36 -0.10 2.45 2.86 -1.49 -0.44 114.93 119.57 2kd1 h MET 56 Ca 0.19 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2kd1 h MET 56 Cb 0.47 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 2kd1 h MET 56 CO 0.02 1.05 0.03 0.37 1.06 0.00 0.00 176.91 179.44 2kd1 h GLN 57 N 0.21 0.15 0.00 1.72 5.75 -1.15 -1.70 115.11 120.09 2kd1 h GLN 57 Ca -0.07 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2kd1 h GLN 57 Cb 1.53 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 2kd1 h GLN 57 CO 0.15 0.30 -0.25 -0.91 -2.65 0.00 0.00 178.83 175.47 2kd1 h ASN 58 N -0.03 0.00 -0.14 -0.69 2.35 -1.08 -0.17 115.58 115.82 2kd1 h ASN 58 Ca 0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 58 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2kd1 h ASN 58 CO -0.00 0.25 -0.02 0.22 -1.65 0.00 0.00 177.43 176.23 2kd1 h TYR 59 N 0.00 0.30 -0.31 1.19 3.20 -0.92 -1.43 116.97 118.99 2kd1 h TYR 59 Ca -0.00 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2kd1 h TYR 59 Cb 0.77 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2kd1 h TYR 59 CO 0.00 0.53 -0.16 0.28 -1.64 0.00 0.00 178.16 177.17 2kd1 h VAL 60 N -0.02 1.25 -0.71 1.81 2.07 -0.88 -1.47 116.25 118.30 2kd1 h VAL 60 Ca 0.04 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 2kd1 h VAL 60 Cb 0.42 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2kd1 h VAL 60 CO 0.01 0.37 0.30 0.78 0.02 0.00 0.00 177.57 179.05 2kd1 h ASN 61 N 0.50 0.95 -0.30 0.57 2.35 -0.99 -1.64 115.58 117.01 2kd1 h ASN 61 Ca 0.09 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2kd1 h ASN 61 Cb 0.56 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2kd1 h ASN 61 CO 0.04 0.83 0.06 0.28 -1.65 0.00 0.00 177.43 176.99 2kd1 h SER 62 N 1.02 0.47 -0.82 5.81 0.02 -0.64 -1.29 113.55 118.12 2kd1 h SER 62 Ca 0.24 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kd1 h SER 62 Cb 0.16 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2kd1 h SER 62 CO -0.02 0.59 0.54 -0.07 -1.14 0.00 0.00 176.83 176.73 2kd1 h LEU 63 N 0.32 0.94 -0.61 5.07 3.38 -0.98 0.60 115.31 124.03 2kd1 h LEU 63 Ca 0.09 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2kd1 h LEU 63 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2kd1 h LEU 63 CO 0.00 0.68 -0.55 -0.09 0.09 0.00 0.00 178.44 178.57 2kd1 h ARG 64 N 1.11 0.41 -0.06 1.13 2.43 -1.28 -1.15 114.38 116.97 2kd1 h ARG 64 Ca 0.30 -0.26 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2kd1 h ARG 64 Cb -0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2kd1 h ARG 64 CO -0.07 0.86 -0.57 0.22 -1.51 0.00 0.00 179.97 178.90 2kd1 h ASP 65 N 0.32 0.21 1.14 -3.80 3.58 -0.58 -2.65 116.42 114.63 2kd1 h ASP 65 Ca 0.00 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.27 2kd1 h ASP 65 Cb 1.07 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2kd1 h ASP 65 CO 0.10 0.73 -0.35 -0.33 -2.88 0.00 0.00 179.24 176.51 2kd1 h GLU 66 N 0.14 0.00 -2.19 0.28 4.39 -0.70 -3.48 114.58 113.03 2kd1 h GLU 66 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2kd1 h GLU 66 Cb 1.04 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2kd1 h GLU 66 CO 0.08 0.35 -0.24 0.41 -1.16 0.00 0.00 179.01 178.46 2kd1 n GLY 67 N 0.58 0.26 3.76 -3.84 0.00 -0.49 -5.02 105.19 100.43 2kd1 n GLY 67 Ca 0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.97 3.46 0.48 0.99 1.43 -0.84 -5.02 118.68 116.21 2kd1 s LEU 68 Ca 0.14 2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 55.19 2kd1 s LEU 68 Cb -0.06 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.51 2kd1 s LEU 68 CO 0.17 -1.72 1.09 -1.59 0.23 0.00 0.00 176.35 174.53 2kd1 s LYS 69 N -3.83 3.74 0.62 1.70 -2.85 -1.26 -4.87 119.74 112.98 2kd1 s LYS 69 Ca 0.71 1.54 0.37 0.00 -1.00 0.00 0.00 55.97 57.58 2kd1 s LYS 69 Cb -0.24 -2.21 2.04 0.00 -2.06 0.00 0.00 37.83 35.36 2kd1 s LYS 69 CO 0.39 -0.51 2.27 0.07 0.10 0.00 0.00 175.35 177.67 2kd1 h ARG 70 N 1.73 0.00 0.59 1.78 0.11 -1.95 -1.07 114.38 115.57 2kd1 h ARG 70 Ca -0.49 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2kd1 h ARG 70 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2kd1 h ARG 70 CO 0.59 0.02 -0.35 0.78 0.10 0.00 0.00 179.97 181.11 2kd1 h GLY 71 N 0.25 -0.95 0.78 0.08 0.00 -1.99 -1.42 103.07 99.82 2kd1 h GLY 71 Ca -0.00 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.75 2kd1 h GLY 71 CO 0.00 -0.34 0.06 -0.84 0.00 0.00 0.00 176.54 175.42 2kd1 h THR 72 N -0.89 0.92 -0.97 4.70 2.02 -1.60 -2.19 112.91 114.89 2kd1 h THR 72 Ca -0.07 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2kd1 h THR 72 Cb 0.72 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2kd1 h THR 72 CO 0.08 0.03 0.64 0.40 0.37 0.00 0.00 175.52 177.04 2kd1 h ILE 73 N 0.16 1.25 0.27 3.11 2.04 -1.41 -1.91 117.51 121.02 2kd1 h ILE 73 Ca 0.10 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kd1 h ILE 73 Cb 0.09 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 2kd1 h ILE 73 CO -0.12 0.25 -0.13 -0.08 0.00 0.00 0.00 178.15 178.07 2kd1 h GLU 74 N 1.32 -0.35 0.39 2.37 4.81 -1.00 -3.11 114.58 119.01 2kd1 h GLU 74 Ca 0.36 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2kd1 h GLU 74 Cb -0.14 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2kd1 h GLU 74 CO -0.08 -0.14 -0.19 0.87 -0.73 0.00 0.00 179.01 178.75 2kd1 h LYS 75 N -0.51 -0.51 -0.27 1.92 1.57 -1.02 -2.66 116.57 115.10 2kd1 h LYS 75 Ca -0.04 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2kd1 h LYS 75 Cb 0.38 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2kd1 h LYS 75 CO 0.06 -0.31 -0.03 -0.84 -0.57 0.00 0.00 179.45 177.76 2kd1 h ILE 76 N -0.57 1.18 -0.42 1.86 3.07 -1.46 -0.68 117.51 120.49 2kd1 h ILE 76 Ca -0.05 -0.73 -0.14 0.00 1.55 0.00 0.00 64.86 65.49 2kd1 h ILE 76 Cb 0.43 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 37.98 2kd1 h ILE 76 CO 0.09 0.24 -0.28 0.40 -1.05 0.00 0.00 178.15 177.55 2kd1 h ILE 77 N 0.39 1.27 -0.29 0.16 1.08 -1.48 -1.72 117.51 116.93 2kd1 h ILE 77 Ca 0.09 -1.44 -0.06 0.00 -0.39 0.00 0.00 64.86 63.05 2kd1 h ILE 77 Cb 0.31 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 2kd1 h ILE 77 CO 0.01 0.49 -0.07 0.11 -0.69 0.00 0.00 178.15 177.99 2kd1 h LYS 78 N 0.76 0.47 -0.25 2.37 1.79 -0.86 -0.97 116.57 119.88 2kd1 h LYS 78 Ca 0.08 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2kd1 h LYS 78 Cb 0.86 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2kd1 h LYS 78 CO 0.08 0.56 -0.20 0.28 -1.08 0.00 0.00 179.45 179.08 2kd1 h VAL 79 N 0.44 1.31 -0.33 0.50 2.07 -1.05 -1.14 116.25 118.06 2kd1 h VAL 79 Ca 0.09 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2kd1 h VAL 79 Cb 0.41 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2kd1 h VAL 79 CO 0.02 0.42 0.15 0.40 0.02 0.00 0.00 177.57 178.58 2kd1 h ILE 80 N 0.29 1.17 -0.22 4.57 2.04 -1.14 -1.89 117.51 122.33 2kd1 h ILE 80 Ca 0.04 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.47 2kd1 h ILE 80 Cb 0.75 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2kd1 h ILE 80 CO 0.05 0.18 -0.17 0.03 0.00 0.00 0.00 178.15 178.24 2kd1 h ARG 81 N 0.39 -0.17 0.00 2.37 3.08 -1.15 -1.04 114.38 117.87 2kd1 h ARG 81 Ca 0.11 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2kd1 h ARG 81 Cb 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2kd1 h ARG 81 CO -0.01 -0.11 -0.33 -0.97 -1.07 0.00 0.00 179.97 177.47 2kd1 h ASN 82 N -0.17 0.00 0.03 7.04 -0.00 -1.02 0.12 115.58 121.58 2kd1 h ASN 82 Ca 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2kd1 h ASN 82 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 2kd1 h ASN 82 CO -0.32 0.33 -0.01 -1.28 -0.00 0.00 0.00 177.43 176.15 2kd1 h SER 83 N 0.00 -0.03 0.48 1.15 0.87 -1.10 -3.14 113.55 111.78 2kd1 h SER 83 Ca -0.00 -0.53 -0.08 0.00 -1.23 0.00 0.00 61.79 59.94 2kd1 h SER 83 Cb 0.63 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2kd1 h SER 83 CO 0.04 0.53 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.42 2kd1 h LEU 84 N -0.61 0.00 -0.80 2.23 3.38 -0.74 -1.70 115.31 117.08 2kd1 h LEU 84 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2kd1 h LEU 84 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2kd1 h LEU 84 CO 0.01 0.38 0.18 -0.33 0.09 0.00 0.00 178.44 178.76 2kd1 h GLU 85 N 0.00 1.08 0.00 1.13 4.39 -0.87 -1.20 114.58 119.11 2kd1 h GLU 85 Ca -0.00 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 2kd1 h GLU 85 Cb 0.72 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kd1 h GLU 85 CO 0.05 0.94 -0.48 1.25 -1.16 0.00 0.00 179.01 179.61 2kd1 h HIS 86 N 1.03 0.00 -0.07 4.33 2.76 -1.37 -2.26 115.15 119.57 2kd1 h HIS 86 Ca 0.22 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.23 2kd1 h HIS 86 Cb 0.34 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2kd1 h HIS 86 CO 0.03 0.48 -0.65 0.00 -1.30 0.00 0.00 177.93 176.49 2kd1 h ALA 87 N 1.52 0.77 -0.43 5.26 0.00 -0.76 0.03 119.26 125.65 2kd1 h ALA 87 Ca -0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2kd1 h ALA 87 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2kd1 h ALA 87 CO 0.06 0.75 -0.24 0.82 0.00 0.00 0.00 179.25 180.65 2kd1 h ILE 88 N 0.19 1.27 -0.43 0.00 2.04 -1.11 0.17 117.51 119.64 2kd1 h ILE 88 Ca -0.01 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 2kd1 h ILE 88 Cb 1.17 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2kd1 h ILE 88 CO 0.10 0.47 0.01 -0.78 0.00 0.00 0.00 178.15 177.95 2kd1 h ASP 89 N 0.76 0.65 0.06 1.72 3.58 -1.21 -2.15 116.42 119.84 2kd1 h ASP 89 Ca 0.10 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2kd1 h ASP 89 Cb 0.79 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kd1 h ASP 89 CO 0.07 0.72 -0.07 0.18 -2.88 0.00 0.00 179.24 177.26 2kd1 n LEU 90 N -4.24 1.32 -1.82 2.28 4.77 -0.02 -4.95 117.00 114.34 2kd1 n LEU 90 Ca 0.02 -0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 55.41 2kd1 n LEU 90 Cb 0.27 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2kd1 n LEU 90 CO 0.40 0.23 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.86 2kd1 n GLU 91 N -0.09 -1.35 0.10 3.23 1.02 -0.52 -4.89 120.64 118.14 2kd1 n GLU 91 Ca 0.17 0.92 -0.04 0.00 -0.02 0.00 0.00 57.16 58.19 2kd1 n GLU 91 Cb 0.35 -5.33 0.01 0.00 -0.02 0.00 0.00 31.44 26.45 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 -8.18 -4.62 3.38 -0.98 -3.45 115.31 101.46 2kd1 h LEU 92 Ca -0.40 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.38 2kd1 h LEU 92 Cb 1.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 2kd1 h LEU 92 CO 0.50 0.82 -0.70 0.27 0.09 0.00 0.00 178.44 179.42 2kd1 s ILE 93 N -3.11 0.34 -0.11 1.22 -4.36 -1.09 -4.72 121.20 109.38 2kd1 s ILE 93 Ca 0.00 -1.38 0.16 0.00 -0.26 0.00 0.00 60.65 59.17 2kd1 s ILE 93 Cb 0.11 -0.94 -0.13 0.00 1.25 0.00 0.00 42.46 42.75 2kd1 s ILE 93 CO 0.79 -0.68 0.86 0.00 0.24 0.00 0.00 174.94 176.15 2kd1 h THR 94 N 3.90 0.57 -3.10 8.37 1.03 -1.88 -3.33 112.91 118.48 2kd1 h THR 94 Ca -0.34 -2.10 -0.11 0.00 -0.01 0.00 0.00 66.41 63.85 2kd1 h THR 94 Cb 1.18 2.11 -0.20 0.00 -1.07 0.00 0.00 68.15 70.17 2kd1 h THR 94 CO 0.52 0.33 -0.28 -0.75 -0.01 0.00 0.00 175.52 175.32 2kd1 s LYS 95 N -2.89 0.68 -0.14 0.00 2.20 -1.26 -4.98 119.74 113.35 2kd1 s LYS 95 Ca -0.03 -0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.27 2kd1 s LYS 95 Cb 0.09 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2kd1 s LYS 95 CO 0.81 -0.19 0.09 0.54 -0.36 0.00 0.00 175.35 176.24 2kd1 s ASN 96 N -1.45 5.94 0.00 1.43 2.20 -1.26 -4.99 114.94 116.81 2kd1 s ASN 96 Ca -0.12 0.27 0.28 0.00 -0.94 0.00 0.00 52.86 52.34 2kd1 s ASN 96 Cb -0.05 -1.93 1.27 0.00 -2.00 0.00 0.00 41.25 38.54 2kd1 s ASN 96 CO 0.03 0.30 1.86 1.33 -2.94 0.00 0.00 177.10 177.68 2kd1 n VAL 97 N 2.68 0.02 1.23 3.54 0.24 -1.26 -3.52 118.33 121.25 2kd1 n VAL 97 Ca -0.18 -0.18 0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2kd1 n VAL 97 Cb 0.53 0.18 0.37 0.00 -1.47 0.00 0.00 33.84 33.45 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 n ALA 98 N -0.18 3.11 0.19 2.33 0.00 -1.26 -3.86 120.51 120.85 2kd1 n ALA 98 Ca 0.20 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.28 2kd1 n ALA 98 Cb 0.27 -1.13 0.38 0.00 0.00 0.00 0.00 19.45 18.97 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 3.63 1.26 0.00 0.00 0.00 -1.97 -2.46 119.26 119.72 2kd1 h ALA 99 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kd1 h ALA 99 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kd1 h ALA 99 CO 0.00 0.46 -0.41 0.87 0.00 0.00 0.00 179.25 180.16 2kd1 h LYS 100 N 0.00 0.00 -5.62 0.00 1.79 -1.84 -3.44 116.57 107.46 2kd1 h LYS 100 Ca -0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 2kd1 h LYS 100 Cb 0.71 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.22 2kd1 h LYS 100 CO 0.05 0.00 0.34 0.99 -1.08 0.00 0.00 179.45 179.74 2kd1 s THR 101 N -3.25 4.63 0.44 -0.16 2.01 -0.93 -5.04 115.64 113.35 2kd1 s THR 101 Ca 0.05 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2kd1 s THR 101 Cb 0.08 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 2kd1 s THR 101 CO 0.71 -0.83 0.11 -1.59 -0.69 0.00 0.00 174.62 172.33 2kd1 s LYS 102 N 3.31 2.14 0.02 4.92 -2.85 -1.26 -4.94 119.74 121.07 2kd1 s LYS 102 Ca 0.27 -2.05 -0.30 0.00 -1.00 0.00 0.00 55.97 52.89 2kd1 s LYS 102 Cb -0.14 -1.80 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 2kd1 s LYS 102 CO 0.19 -0.18 1.91 -1.17 0.10 0.00 0.00 175.35 176.20 2kd1 s LEU 103 N -3.87 4.40 0.95 2.77 2.96 -1.26 -5.02 118.68 119.60 2kd1 s LEU 103 Ca 0.32 2.58 -0.16 0.00 -0.22 0.00 0.00 54.13 56.65 2kd1 s LEU 103 Cb 0.05 -3.53 0.19 0.00 0.50 0.00 0.00 46.19 43.39 2kd1 s LEU 103 CO 0.17 -1.04 1.30 -2.16 -1.32 0.00 0.00 176.35 173.31 2kd1 s PRO 104 N 4.39 0.79 -0.97 0.98 0.04 -1.26 -4.99 135.00 133.99 2kd1 s PRO 104 Ca 0.85 -0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.32 2kd1 s PRO 104 Cb -0.41 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.32 2kd1 s PRO 104 CO 0.39 -2.33 1.43 0.15 0.04 0.00 0.00 177.00 176.68 2kd1 s LYS 105 N -5.84 3.50 -0.98 4.56 -0.14 -1.26 -4.94 119.74 114.63 2kd1 s LYS 105 Ca 0.72 -0.94 -0.12 0.00 -1.36 0.00 0.00 55.97 54.27 2kd1 s LYS 105 Cb -0.05 -5.14 0.24 0.00 -1.68 0.00 0.00 37.83 31.21 2kd1 s LYS 105 CO 0.53 -2.22 0.97 0.00 -0.76 0.00 0.00 175.35 173.87 2kd1 s ALA 106 N 5.20 4.38 0.00 5.17 0.00 -1.26 -4.92 121.76 130.33 2kd1 s ALA 106 Ca 0.44 -3.57 0.00 0.00 0.00 0.00 0.00 51.96 48.84 2kd1 s ALA 106 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2kd1 s ALA 106 CO -0.05 -2.28 0.00 -0.25 0.00 0.00 0.00 175.76 173.18 2kd1 n ASP 107 N 3.49 0.00 -4.41 0.00 9.92 -1.26 -4.81 116.55 119.48 2kd1 n ASP 107 Ca 0.20 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.14 2kd1 n ASP 107 Cb 0.43 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.77 2kd1 n ASP 107 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kd1 s LYS 108 N 0.00 2.39 0.07 -1.24 -0.14 -1.26 -5.12 119.74 114.44 2kd1 s LYS 108 Ca 0.00 -0.78 -0.26 0.00 -1.36 0.00 0.00 55.97 53.57 2kd1 s LYS 108 Cb 0.00 -2.26 0.07 0.00 -1.68 0.00 0.00 37.83 33.96 2kd1 s LYS 108 CO 0.00 0.58 0.62 -1.83 -0.76 0.00 0.00 175.35 173.96 2kd1 s GLU 109 N -0.64 1.17 0.00 1.68 -1.05 -1.26 -5.05 118.70 113.55 2kd1 s GLU 109 Ca 0.10 -0.18 0.16 0.00 -0.15 0.00 0.00 54.97 54.90 2kd1 s GLU 109 Cb -0.11 0.54 0.94 0.00 -0.44 0.00 0.00 34.13 35.07 2kd1 s GLU 109 CO 0.00 -0.45 1.38 -0.85 0.95 0.00 0.00 175.26 176.29 2kd1 n GLU 110 N 0.18 0.63 0.00 -4.83 0.28 -1.26 -3.38 120.64 112.26 2kd1 n GLU 110 Ca -0.18 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 56.96 2kd1 n GLU 110 Cb 0.62 -1.39 0.58 0.00 1.43 0.00 0.00 31.44 32.68 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kd1 n LEU 111 N -0.89 0.61 0.35 -1.84 4.77 -1.26 -3.45 117.00 115.29 2kd1 n LEU 111 Ca 0.12 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2kd1 n LEU 111 Cb 0.05 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2kd1 n LEU 111 CO 0.09 0.11 0.38 -0.08 -1.33 0.00 0.00 177.39 176.56 2kd1 h GLU 112 N 0.77 -0.89 -0.06 3.23 4.81 -1.92 -3.24 114.58 117.28 2kd1 h GLU 112 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kd1 h GLU 112 Cb 0.37 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2kd1 h GLU 112 CO 0.00 -0.59 0.00 -2.39 -0.73 0.00 0.00 179.01 175.30 2kd1 n HIS 113 N -5.39 0.03 0.39 0.92 1.44 -1.23 -2.96 115.22 108.41 2kd1 n HIS 113 Ca -0.12 -0.01 0.14 0.00 -2.01 0.00 0.00 57.72 55.72 2kd1 n HIS 113 Cb 0.37 -0.01 0.51 0.00 0.12 0.00 0.00 29.99 30.98 2kd1 n HIS 113 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kd1 h HIS 114 N 0.11 0.00 -3.23 -1.40 6.17 -1.58 -3.40 115.15 111.81 2kd1 h HIS 114 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.77 2kd1 h HIS 114 Cb 0.05 0.00 -0.36 0.00 2.52 0.00 0.00 27.41 29.62 2kd1 h HIS 114 CO 0.01 0.00 -0.67 -3.38 0.71 0.00 0.00 177.93 174.60 2kd1 s HIS 115 N -3.37 -0.09 -0.23 5.26 -3.43 -1.15 -5.12 115.29 107.16 2kd1 s HIS 115 Ca 0.05 0.43 -0.08 0.00 -0.80 0.00 0.00 55.06 54.66 2kd1 s HIS 115 Cb 0.09 -0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 2kd1 s HIS 115 CO 0.49 -0.21 0.09 -1.58 -2.00 0.00 0.00 174.74 171.53 2kd1 s HIS 116 N 1.89 3.16 0.39 0.38 2.46 -1.26 -4.95 115.29 117.36 2kd1 s HIS 116 Ca -0.00 -0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.12 2kd1 s HIS 116 Cb -0.12 -2.21 -0.09 0.00 -0.13 0.00 0.00 32.58 30.03 2kd1 s HIS 116 CO -0.05 -0.14 1.18 -3.38 -2.47 0.00 0.00 174.74 169.88 2kd1 s HIS 117 N 1.21 3.09 -2.81 3.88 -3.43 -1.26 -5.20 115.29 110.77 2kd1 s HIS 117 Ca 0.05 1.55 0.25 0.00 -0.80 0.00 0.00 55.06 56.11 2kd1 s HIS 117 Cb -0.14 -3.42 0.51 0.00 -1.43 0.00 0.00 32.58 28.10 2kd1 s HIS 117 CO 0.04 -1.34 1.44 1.58 -2.00 0.00 0.00 174.74 174.46