#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 4.17 -0.17 0.03 2.02 -1.26 -4.90 118.70 118.58 2kd1 s GLU 2 Ca 0.00 2.41 -0.29 0.00 0.02 0.00 0.00 54.97 57.10 2kd1 s GLU 2 Cb 0.00 -3.84 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 2kd1 s GLU 2 CO 0.00 -0.83 1.15 -1.25 0.02 0.00 0.00 175.26 174.35 2kd1 s PRO 3 N 3.47 4.27 0.00 0.39 0.04 -1.26 -4.89 135.00 137.02 2kd1 s PRO 3 Ca 0.79 1.53 0.13 0.00 0.04 0.00 0.00 61.00 63.49 2kd1 s PRO 3 Cb -0.40 -3.68 0.63 0.00 0.04 0.00 0.00 34.50 31.09 2kd1 s PRO 3 CO 0.35 -0.62 1.43 0.43 0.04 0.00 0.00 177.00 178.62 2kd1 n SER 4 N 6.23 0.61 -0.07 6.66 7.64 -1.26 -4.07 113.62 129.37 2kd1 n SER 4 Ca 0.12 -1.71 -0.13 0.00 1.01 0.00 0.00 58.87 58.17 2kd1 n SER 4 Cb 0.46 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 2kd1 n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kd1 n LYS 5 N -0.30 0.41 -2.03 1.43 4.76 -1.26 -4.92 118.16 116.26 2kd1 n LYS 5 Ca 0.10 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.29 2kd1 n LYS 5 Cb 0.14 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 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 -7.46 3.48 0.41 -0.35 2.96 -1.26 -5.00 118.68 111.46 2kd1 s LEU 6 Ca -0.24 1.14 -0.25 0.00 -0.22 0.00 0.00 54.13 54.56 2kd1 s LEU 6 Cb 0.06 -3.37 -0.08 0.00 0.50 0.00 0.00 46.19 43.30 2kd1 s LEU 6 CO 0.34 -1.79 1.14 -0.44 -1.32 0.00 0.00 176.35 174.28 2kd1 s SER 7 N 6.26 6.52 0.43 3.68 0.01 -1.26 -1.65 113.70 127.68 2kd1 s SER 7 Ca 0.77 2.27 0.11 0.00 1.31 0.00 0.00 55.95 60.41 2kd1 s SER 7 Cb -0.20 -2.61 0.93 0.00 0.21 0.00 0.00 66.02 64.35 2kd1 s SER 7 CO 0.32 -0.67 2.01 0.22 0.41 0.00 0.00 173.24 175.53 2kd1 h TYR 8 N 2.53 0.24 -0.41 2.43 3.20 -1.04 -1.95 116.97 121.96 2kd1 h TYR 8 Ca -0.49 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.26 2kd1 h TYR 8 Cb 1.23 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2kd1 h TYR 8 CO 0.55 0.26 -0.19 0.78 -1.64 0.00 0.00 178.16 177.92 2kd1 h GLY 9 N 0.50 0.85 1.01 1.82 0.00 -1.07 0.17 103.07 106.36 2kd1 h GLY 9 Ca 0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 2kd1 h GLY 9 CO 0.00 0.65 0.16 0.83 0.00 0.00 0.00 176.54 178.18 2kd1 h GLU 10 N 0.70 0.94 -0.27 4.80 4.39 -1.65 -2.51 114.58 120.98 2kd1 h GLU 10 Ca 0.10 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 2kd1 h GLU 10 Cb 0.70 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kd1 h GLU 10 CO 0.05 0.86 -0.28 -0.92 -1.16 0.00 0.00 179.01 177.56 2kd1 h TYR 11 N 0.85 0.61 -0.18 4.33 3.20 -0.97 -2.70 116.97 122.11 2kd1 h TYR 11 Ca 0.19 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 2kd1 h TYR 11 Cb 0.33 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2kd1 h TYR 11 CO 0.02 0.77 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.91 2kd1 h LEU 12 N 0.47 0.37 0.16 2.82 3.38 -0.48 0.06 115.31 122.08 2kd1 h LEU 12 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2kd1 h LEU 12 Cb 0.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kd1 h LEU 12 CO 0.06 0.68 -0.08 -0.33 0.09 0.00 0.00 178.44 178.86 2kd1 h GLU 13 N 0.32 -0.20 -0.50 1.13 4.39 -1.30 -0.64 114.58 117.77 2kd1 h GLU 13 Ca 0.04 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2kd1 h GLU 13 Cb 0.73 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2kd1 h GLU 13 CO 0.06 0.09 0.28 0.77 -1.16 0.00 0.00 179.01 179.05 2kd1 h SER 14 N -0.50 0.61 0.07 1.42 0.02 -1.38 -1.93 113.55 111.87 2kd1 h SER 14 Ca -0.02 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2kd1 h SER 14 Cb 0.39 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kd1 h SER 14 CO 0.04 0.51 -0.08 -0.25 -1.14 0.00 0.00 176.83 175.91 2kd1 h TRP 15 N 0.66 -0.21 0.26 3.45 7.01 -1.05 -3.22 115.95 122.87 2kd1 h TRP 15 Ca 0.18 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.18 2kd1 h TRP 15 Cb 0.03 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 2kd1 h TRP 15 CO -0.02 -0.13 -0.47 0.35 -2.79 0.00 0.00 178.44 175.38 2kd1 h PHE 16 N -0.18 -1.34 -0.69 2.65 3.57 -0.80 -0.91 116.94 119.25 2kd1 h PHE 16 Ca 0.01 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2kd1 h PHE 16 Cb 0.18 0.55 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 2kd1 h PHE 16 CO -0.11 -0.59 0.28 -0.91 -2.23 0.00 0.00 178.31 174.75 2kd1 h ASN 17 N -0.80 0.29 1.33 0.41 2.35 -1.41 -0.66 115.58 117.09 2kd1 h ASN 17 Ca -0.02 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 2kd1 h ASN 17 Cb 0.77 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 2kd1 h ASN 17 CO -0.19 0.15 -0.68 0.00 -1.65 0.00 0.00 177.43 175.07 2kd1 h THR 18 N 0.46 1.07 0.00 2.81 1.03 -1.55 -3.32 112.91 113.42 2kd1 h THR 18 Ca 0.36 -2.53 0.00 0.00 -0.01 0.00 0.00 66.41 64.23 2kd1 h THR 18 Cb 0.47 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 70.07 2kd1 h THR 18 CO -0.34 0.61 -0.08 0.50 -0.01 0.00 0.00 175.52 176.20 2kd1 h LYS 19 N 0.00 0.00 -0.45 0.00 1.63 0.32 -3.22 116.57 114.84 2kd1 h LYS 19 Ca -0.01 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.92 2kd1 h LYS 19 Cb 1.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.11 2kd1 h LYS 19 CO 0.08 0.00 0.41 0.00 -3.45 0.00 0.00 179.45 176.50 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.46 -1.63 114.38 116.27 2kd1 h ARG 20 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2kd1 h ARG 20 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2kd1 h ARG 20 CO 0.00 0.00 -0.28 0.45 -1.07 0.00 0.00 179.97 179.07 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.82 -1.39 115.15 118.84 2kd1 h HIS 21 Ca 0.21 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.09 2kd1 h HIS 21 Cb 1.04 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.45 2kd1 h HIS 21 CO 0.00 0.28 -2.27 -1.13 0.86 0.00 0.00 177.93 175.67 2kd1 n SER 22 N -3.48 2.27 0.09 2.45 3.41 -0.69 -4.61 113.62 113.05 2kd1 n SER 22 Ca -0.00 -0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.29 2kd1 n SER 22 Cb 0.45 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 63.92 2kd1 n SER 22 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2kd1 h VAL 23 N -0.01 1.32 0.00 -3.33 -1.51 -1.46 -3.51 116.25 107.75 2kd1 h VAL 23 Ca -0.50 -2.50 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 2kd1 h VAL 23 Cb 1.77 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.59 2kd1 h VAL 23 CO -0.08 0.76 0.00 0.61 -1.23 0.00 0.00 177.57 177.63 2kd1 n GLY 24 N 1.32 3.08 0.15 5.19 0.00 -0.52 -4.61 105.19 109.79 2kd1 n GLY 24 Ca -0.12 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 2kd1 n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kd1 h ILE 25 N 0.00 1.29 -0.31 -0.61 1.08 -1.97 -0.34 117.51 116.66 2kd1 h ILE 25 Ca 0.00 -1.08 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 2kd1 h ILE 25 Cb 0.00 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2kd1 h ILE 25 CO 0.00 0.33 -0.13 0.06 -0.69 0.00 0.00 178.15 177.72 2kd1 h GLN 26 N 0.12 0.63 -0.38 2.37 3.07 -1.94 -2.85 115.11 116.12 2kd1 h GLN 26 Ca 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 58.65 58.52 2kd1 h GLN 26 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.05 2kd1 h GLN 26 CO 0.02 0.84 0.23 1.15 0.09 0.00 0.00 178.83 181.16 2kd1 h THR 27 N 0.39 1.11 -0.55 1.86 2.02 -1.81 -2.37 112.91 113.56 2kd1 h THR 27 Ca 0.07 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2kd1 h THR 27 Cb 0.64 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2kd1 h THR 27 CO 0.04 0.12 0.24 0.00 0.37 0.00 0.00 175.52 176.29 2kd1 h ALA 28 N 1.73 0.72 -0.39 6.16 0.00 -0.86 -1.36 119.26 125.26 2kd1 h ALA 28 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kd1 h ALA 28 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2kd1 h ALA 28 CO -0.03 0.31 -0.01 -0.22 0.00 0.00 0.00 179.25 179.30 2kd1 h LYS 29 N 0.75 0.63 0.05 0.00 3.11 -1.21 -0.13 116.57 119.77 2kd1 h LYS 29 Ca 0.19 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2kd1 h LYS 29 Cb 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2kd1 h LYS 29 CO -0.02 0.65 -0.02 0.28 -2.81 0.00 0.00 179.45 177.53 2kd1 h VAL 30 N 0.60 1.12 -0.32 2.00 2.07 -1.10 -2.28 116.25 118.34 2kd1 h VAL 30 Ca 0.12 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 2kd1 h VAL 30 Cb 0.39 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kd1 h VAL 30 CO 0.01 0.14 -0.30 -0.07 0.02 0.00 0.00 177.57 177.38 2kd1 h LEU 31 N -0.31 0.70 -0.30 2.57 3.38 -0.97 -2.66 115.31 117.72 2kd1 h LEU 31 Ca -0.01 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2kd1 h LEU 31 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2kd1 h LEU 31 CO 0.01 0.96 -0.10 0.50 0.09 0.00 0.00 178.44 179.90 2kd1 h LYS 32 N 0.58 0.59 -0.02 1.13 3.64 -1.07 0.13 116.57 121.55 2kd1 h LYS 32 Ca 0.07 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2kd1 h LYS 32 Cb 0.80 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2kd1 h LYS 32 CO 0.07 0.80 0.02 0.78 -2.27 0.00 0.00 179.45 178.85 2kd1 h GLY 33 N 0.35 0.00 1.42 5.01 0.00 -1.30 -1.35 103.07 107.20 2kd1 h GLY 33 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.21 2kd1 h GLY 33 CO 0.04 0.00 -1.21 -0.97 0.00 0.00 0.00 176.54 174.40 2kd1 h TYR 34 N 0.00 0.00 0.63 5.60 0.05 -1.13 -3.28 116.97 118.84 2kd1 h TYR 34 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2kd1 h TYR 34 Cb 0.04 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.79 2kd1 h TYR 34 CO 0.00 0.76 -0.30 -0.07 -1.05 0.00 0.00 178.16 177.50 2kd1 h LEU 35 N 0.00 -0.72 -1.89 3.88 3.38 0.40 -0.22 115.31 120.14 2kd1 h LEU 35 Ca -0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kd1 h LEU 35 Cb 1.69 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 2kd1 h LEU 35 CO 0.08 -0.46 -0.00 -0.55 0.09 0.00 0.00 178.44 177.60 2kd1 h ASN 36 N -0.96 0.00 0.00 -0.43 7.08 -1.68 -0.54 115.58 119.05 2kd1 h ASN 36 Ca -0.09 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.08 2kd1 h ASN 36 Cb 0.65 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.88 2kd1 h ASN 36 CO 0.14 0.00 -0.32 -1.28 -2.08 0.00 0.00 177.43 173.90 2kd1 h SER 37 N 0.00 0.00 0.00 6.14 0.87 -1.61 -3.40 113.55 115.55 2kd1 h SER 37 Ca -0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2kd1 h SER 37 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kd1 h SER 37 CO 0.00 1.01 -0.87 0.54 -0.53 0.00 0.00 176.83 176.97 2kd1 n ARG 38 N -4.60 0.50 0.11 2.24 5.12 -0.10 -4.58 116.66 115.35 2kd1 n ARG 38 Ca -0.13 0.27 -0.21 0.00 -1.93 0.00 0.00 57.85 55.86 2kd1 n ARG 38 Cb 0.43 -1.47 -0.15 0.00 -1.16 0.00 0.00 32.46 30.11 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 -0.98 1.25 -0.09 0.55 5.03 -1.35 -3.19 117.51 118.74 2kd1 h ILE 39 Ca 0.00 -2.78 -0.00 0.00 -0.12 0.00 0.00 64.86 61.95 2kd1 h ILE 39 Cb 0.87 2.91 -0.00 0.00 -3.03 0.00 0.00 36.82 37.57 2kd1 h ILE 39 CO 0.00 0.84 0.05 0.40 -0.68 0.00 0.00 178.15 178.76 2kd1 h ILE 40 N 0.11 1.10 -0.58 -0.67 5.03 -1.38 0.33 117.51 121.45 2kd1 h ILE 40 Ca -0.24 -0.27 0.01 0.00 -0.12 0.00 0.00 64.86 64.24 2kd1 h ILE 40 Cb 2.08 1.12 -0.03 0.00 -3.03 0.00 0.00 36.82 36.96 2kd1 h ILE 40 CO 0.22 0.08 0.38 -0.65 -0.68 0.00 0.00 178.15 177.51 2kd1 h PRO 41 N 0.04 0.75 0.00 2.37 0.11 -1.78 -2.65 132.00 130.83 2kd1 h PRO 41 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kd1 h PRO 41 Cb 0.09 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2kd1 h PRO 41 CO -0.00 0.49 0.00 0.45 -0.21 0.00 0.00 178.00 178.73 2kd1 n SER 42 N -4.45 0.00 -0.19 -2.05 2.88 -1.03 -4.74 113.62 104.04 2kd1 n SER 42 Ca 0.06 0.37 0.05 0.00 -1.33 0.00 0.00 58.87 58.02 2kd1 n SER 42 Cb 0.06 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.94 1.08 -0.03 2.46 4.77 0.96 -4.72 117.00 119.58 2kd1 n LEU 43 Ca 0.00 -0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 55.14 2kd1 n LEU 43 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2kd1 n LEU 43 CO 0.00 0.22 0.78 1.23 -1.33 0.00 0.00 177.39 178.30 2kd1 h GLY 44 N 2.09 0.22 2.00 -0.72 0.00 -0.59 -2.81 103.07 103.26 2kd1 h GLY 44 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2kd1 h GLY 44 CO 0.00 0.13 -0.29 3.43 0.00 0.00 0.00 176.54 179.81 2kd1 h ASN 45 N -0.01 0.00 -3.94 0.19 4.21 -1.84 0.70 115.58 114.90 2kd1 h ASN 45 Ca 0.04 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.05 2kd1 h ASN 45 Cb 0.27 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.51 2kd1 h ASN 45 CO 0.00 0.29 0.46 -0.63 -1.29 0.00 0.00 177.43 176.27 2kd1 s ILE 46 N -3.75 3.41 0.49 2.81 1.01 -1.06 -4.81 121.20 119.31 2kd1 s ILE 46 Ca -0.00 1.17 -0.21 0.00 0.00 0.00 0.00 60.65 61.60 2kd1 s ILE 46 Cb 0.11 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 2kd1 s ILE 46 CO 0.66 0.09 1.13 -0.54 0.00 0.00 0.00 174.94 176.28 2kd1 s LYS 47 N -2.29 3.62 0.28 2.79 -0.14 -1.26 -1.11 119.74 121.63 2kd1 s LYS 47 Ca 0.56 1.66 -0.00 0.00 -1.36 0.00 0.00 55.97 56.83 2kd1 s LYS 47 Cb -0.27 -2.22 0.50 0.00 -1.68 0.00 0.00 37.83 34.16 2kd1 s LYS 47 CO 0.34 -0.64 1.87 1.25 -0.76 0.00 0.00 175.35 177.41 2kd1 h LEU 48 N 1.68 0.96 -1.36 3.17 5.85 -1.57 -0.93 115.31 123.12 2kd1 h LEU 48 Ca -0.50 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2kd1 h LEU 48 Cb 1.25 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2kd1 h LEU 48 CO 0.59 0.57 -0.28 0.00 -0.34 0.00 0.00 178.44 178.99 2kd1 h ALA 49 N 1.50 1.20 -0.01 1.25 0.00 -1.81 -2.93 119.26 118.47 2kd1 h ALA 49 Ca 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kd1 h ALA 49 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kd1 h ALA 49 CO -0.20 0.35 -0.12 1.63 0.00 0.00 0.00 179.25 180.91 2kd1 n LYS 50 N -3.72 0.87 -1.95 0.00 4.76 -0.37 -4.71 118.16 113.03 2kd1 n LYS 50 Ca -0.01 -0.36 -0.27 0.00 -2.87 0.00 0.00 58.31 54.79 2kd1 n LYS 50 Cb 0.38 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.38 3.16 0.63 -0.35 1.02 -1.11 -4.94 118.68 114.70 2kd1 s LEU 51 Ca 0.31 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.16 2kd1 s LEU 51 Cb 0.20 -2.55 0.06 0.00 0.02 0.00 0.00 46.19 43.93 2kd1 s LEU 51 CO 0.46 -2.85 0.88 0.28 0.02 0.00 0.00 176.35 175.13 2kd1 s THR 52 N 10.70 2.45 0.39 5.49 -1.32 -1.26 -4.80 115.64 127.29 2kd1 s THR 52 Ca 0.74 -0.58 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 2kd1 s THR 52 Cb -0.09 -2.88 0.24 0.00 -1.51 0.00 0.00 72.50 68.26 2kd1 s THR 52 CO 0.06 0.00 2.02 0.28 -2.21 0.00 0.00 174.62 174.77 2kd1 h SER 53 N -0.22 0.47 -0.92 8.08 0.02 -1.93 -2.18 113.55 116.88 2kd1 h SER 53 Ca -0.41 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2kd1 h SER 53 Cb 1.29 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 2kd1 h SER 53 CO 0.50 0.39 0.61 0.25 -1.14 0.00 0.00 176.83 177.44 2kd1 h LEU 54 N 0.54 1.05 -1.60 5.07 5.85 -1.96 -2.50 115.31 121.77 2kd1 h LEU 54 Ca 0.14 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kd1 h LEU 54 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2kd1 h LEU 54 CO -0.02 0.76 -0.15 0.45 -0.34 0.00 0.00 178.44 179.14 2kd1 h HIS 55 N 1.24 0.07 -0.08 1.25 3.86 -1.77 -0.91 115.15 118.81 2kd1 h HIS 55 Ca 0.34 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.45 2kd1 h HIS 55 Cb -0.13 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2kd1 h HIS 55 CO -0.00 0.22 -0.31 0.52 0.86 0.00 0.00 177.93 179.22 2kd1 h MET 56 N 0.07 0.35 -0.25 2.45 2.86 -1.47 -2.55 114.93 116.39 2kd1 h MET 56 Ca 0.01 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2kd1 h MET 56 Cb 0.31 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2kd1 h MET 56 CO 0.02 0.90 0.13 0.37 1.06 0.00 0.00 176.91 179.40 2kd1 h GLN 57 N -0.12 0.36 -0.55 1.72 5.75 -1.18 -2.21 115.11 118.88 2kd1 h GLN 57 Ca -0.02 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2kd1 h GLN 57 Cb 0.94 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 2kd1 h GLN 57 CO 0.06 0.33 0.36 -0.91 -2.65 0.00 0.00 178.83 176.02 2kd1 h ASN 58 N 0.29 0.58 0.01 -0.69 2.35 -1.25 -1.06 115.58 115.81 2kd1 h ASN 58 Ca 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2kd1 h ASN 58 Cb 0.08 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2kd1 h ASN 58 CO -0.01 0.41 -0.00 0.22 -1.65 0.00 0.00 177.43 176.39 2kd1 h TYR 59 N 0.68 -0.01 -0.36 1.19 3.20 -1.15 -1.58 116.97 118.94 2kd1 h TYR 59 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2kd1 h TYR 59 Cb 0.02 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2kd1 h TYR 59 CO -0.00 0.31 0.00 0.28 -1.64 0.00 0.00 178.16 177.11 2kd1 h VAL 60 N -0.32 1.20 -0.23 1.81 2.07 -0.94 -1.95 116.25 117.90 2kd1 h VAL 60 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2kd1 h VAL 60 Cb 0.32 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 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 0.54 0.29 -0.83 0.57 2.35 -1.18 -3.01 115.58 114.31 2kd1 h ASN 61 Ca 0.11 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2kd1 h ASN 61 Cb 0.34 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 2kd1 h ASN 61 CO 0.01 0.33 0.49 -1.28 -1.65 0.00 0.00 177.43 175.33 2kd1 h SER 62 N 0.24 0.73 -0.46 5.81 0.87 -0.56 -1.98 113.55 118.20 2kd1 h SER 62 Ca 0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2kd1 h SER 62 Cb 0.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2kd1 h SER 62 CO -0.01 0.44 0.25 -0.07 -0.53 0.00 0.00 176.83 176.91 2kd1 h LEU 63 N 0.85 0.60 -0.27 2.23 3.38 -1.26 -0.03 115.31 120.82 2kd1 h LEU 63 Ca 0.38 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 2kd1 h LEU 63 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kd1 h LEU 63 CO -0.21 0.51 -0.88 -0.09 0.09 0.00 0.00 178.44 177.85 2kd1 h ARG 64 N 0.68 0.27 0.00 1.13 2.43 -1.30 -0.99 114.38 116.61 2kd1 h ARG 64 Ca 0.17 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 2kd1 h ARG 64 Cb 0.05 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kd1 h ARG 64 CO -0.03 0.99 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.50 2kd1 h ASP 65 N 0.16 0.00 1.48 -3.80 3.32 -0.83 -2.41 116.42 114.34 2kd1 h ASP 65 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kd1 h ASP 65 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2kd1 h ASP 65 CO 0.14 0.49 0.00 -0.33 -1.72 0.00 0.00 179.24 177.82 2kd1 h GLU 66 N 0.00 0.00 -1.87 3.56 4.39 -0.91 -3.48 114.58 116.28 2kd1 h GLU 66 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 2kd1 h GLU 66 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2kd1 h GLU 66 CO 0.06 0.00 -0.30 0.41 -1.16 0.00 0.00 179.01 178.03 2kd1 n GLY 67 N 0.85 -0.05 3.77 -3.84 0.00 -0.75 -5.00 105.19 100.16 2kd1 n GLY 67 Ca 0.04 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.36 4.39 0.46 0.99 1.43 -0.45 -5.03 118.68 117.11 2kd1 s LEU 68 Ca 0.04 2.61 -0.20 0.00 -1.03 0.00 0.00 54.13 55.56 2kd1 s LEU 68 Cb -0.02 -3.71 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 2kd1 s LEU 68 CO 0.05 -0.55 0.97 -1.59 0.23 0.00 0.00 176.35 175.47 2kd1 s LYS 69 N -1.86 4.09 0.52 1.70 -2.85 -1.26 -4.84 119.74 115.24 2kd1 s LYS 69 Ca 0.50 1.12 0.26 0.00 -1.00 0.00 0.00 55.97 56.85 2kd1 s LYS 69 Cb -0.38 -2.16 1.38 0.00 -2.06 0.00 0.00 37.83 34.61 2kd1 s LYS 69 CO 0.50 -0.15 1.96 0.07 0.10 0.00 0.00 175.35 177.82 2kd1 h ARG 70 N 1.63 0.05 0.01 1.78 0.11 -1.95 -0.34 114.38 115.67 2kd1 h ARG 70 Ca -0.49 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kd1 h ARG 70 Cb 1.19 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kd1 h ARG 70 CO 0.61 0.03 -0.01 0.78 0.10 0.00 0.00 179.97 181.48 2kd1 h GLY 71 N 0.05 -0.02 1.00 0.08 0.00 -1.96 0.39 103.07 102.62 2kd1 h GLY 71 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2kd1 h GLY 71 CO -0.02 -0.01 0.40 -0.84 0.00 0.00 0.00 176.54 176.08 2kd1 h THR 72 N -0.25 1.21 -0.58 4.70 2.02 -1.48 -2.44 112.91 116.09 2kd1 h THR 72 Ca -0.00 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2kd1 h THR 72 Cb 0.24 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2kd1 h THR 72 CO 0.00 0.23 0.36 0.40 0.37 0.00 0.00 175.52 176.88 2kd1 h ILE 73 N 0.97 1.17 -0.32 3.11 2.04 -1.27 -2.82 117.51 120.37 2kd1 h ILE 73 Ca 0.25 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2kd1 h ILE 73 Cb 0.01 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 2kd1 h ILE 73 CO -0.04 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.25 2kd1 h GLU 74 N 0.78 0.16 -0.31 2.37 4.81 -0.49 -1.61 114.58 120.28 2kd1 h GLU 74 Ca 0.21 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2kd1 h GLU 74 Cb -0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2kd1 h GLU 74 CO -0.04 0.10 0.13 0.87 -0.73 0.00 0.00 179.01 179.34 2kd1 h LYS 75 N 0.16 0.46 0.00 1.92 1.57 -1.29 -1.14 116.57 118.25 2kd1 h LYS 75 Ca 0.15 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2kd1 h LYS 75 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2kd1 h LYS 75 CO -0.21 0.45 -0.69 -0.84 -0.57 0.00 0.00 179.45 177.60 2kd1 h ILE 76 N 0.35 1.37 -0.32 1.86 3.07 -1.37 -2.18 117.51 120.29 2kd1 h ILE 76 Ca 0.10 -2.45 -0.14 0.00 1.55 0.00 0.00 64.86 63.92 2kd1 h ILE 76 Cb 0.16 2.37 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 2kd1 h ILE 76 CO -0.01 0.67 -0.36 0.40 -1.05 0.00 0.00 178.15 177.80 2kd1 h ILE 77 N 0.00 1.29 -0.65 0.16 1.08 -1.13 -2.76 117.51 115.50 2kd1 h ILE 77 Ca -0.01 -1.53 0.01 0.00 -0.39 0.00 0.00 64.86 62.94 2kd1 h ILE 77 Cb 1.31 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 2kd1 h ILE 77 CO 0.09 0.50 0.43 0.11 -0.69 0.00 0.00 178.15 178.59 2kd1 h LYS 78 N 0.58 0.86 0.73 2.37 1.79 -0.98 -1.21 116.57 120.71 2kd1 h LYS 78 Ca 0.05 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2kd1 h LYS 78 Cb 0.94 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2kd1 h LYS 78 CO 0.09 0.57 -0.35 0.28 -1.08 0.00 0.00 179.45 178.96 2kd1 h VAL 79 N 0.89 0.27 -0.37 0.50 2.07 -1.33 -1.86 116.25 116.41 2kd1 h VAL 79 Ca 0.24 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2kd1 h VAL 79 Cb -0.10 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2kd1 h VAL 79 CO -0.05 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.08 2kd1 h ILE 80 N -1.01 1.20 -0.16 4.57 2.04 -1.26 -1.08 117.51 121.81 2kd1 h ILE 80 Ca -0.10 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2kd1 h ILE 80 Cb 0.76 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2kd1 h ILE 80 CO 0.16 0.22 -0.07 0.03 0.00 0.00 0.00 178.15 178.49 2kd1 h ARG 81 N 0.45 -0.04 -0.24 2.37 3.08 -1.29 -1.49 114.38 117.22 2kd1 h ARG 81 Ca 0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 2kd1 h ARG 81 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2kd1 h ARG 81 CO -0.01 -0.03 -0.30 -0.97 -1.07 0.00 0.00 179.97 177.59 2kd1 h ASN 82 N -0.04 0.50 -0.35 7.04 -0.73 -1.12 0.19 115.58 121.07 2kd1 h ASN 82 Ca 0.09 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.05 2kd1 h ASN 82 Cb 0.17 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 2kd1 h ASN 82 CO -0.19 0.78 0.16 0.28 -0.37 0.00 0.00 177.43 178.09 2kd1 h SER 83 N 0.43 0.47 0.98 1.15 0.02 -0.94 -2.26 113.55 113.40 2kd1 h SER 83 Ca 0.05 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 2kd1 h SER 83 Cb 0.74 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2kd1 h SER 83 CO 0.06 0.48 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.78 2kd1 h LEU 84 N 0.43 0.00 -0.18 5.07 3.38 -0.92 -0.52 115.31 122.57 2kd1 h LEU 84 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kd1 h LEU 84 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kd1 h LEU 84 CO -0.01 0.38 0.10 -0.33 0.09 0.00 0.00 178.44 178.67 2kd1 h GLU 85 N 0.00 0.26 0.00 1.13 4.39 -0.80 -2.20 114.58 117.36 2kd1 h GLU 85 Ca -0.00 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2kd1 h GLU 85 Cb 0.97 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2kd1 h GLU 85 CO 0.05 0.24 -0.29 1.25 -1.16 0.00 0.00 179.01 179.10 2kd1 h HIS 86 N 0.20 0.00 -0.08 4.33 2.76 -1.11 -2.46 115.15 118.79 2kd1 h HIS 86 Ca 0.07 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.08 2kd1 h HIS 86 Cb 0.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2kd1 h HIS 86 CO -0.04 0.29 -0.64 0.00 -1.30 0.00 0.00 177.93 176.23 2kd1 h ALA 87 N 1.71 0.76 -0.33 5.26 0.00 -0.94 -0.93 119.26 124.80 2kd1 h ALA 87 Ca -0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 2kd1 h ALA 87 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kd1 h ALA 87 CO 0.04 0.75 -0.40 0.82 0.00 0.00 0.00 179.25 180.45 2kd1 h ILE 88 N 0.22 1.28 -0.94 0.00 2.04 -1.21 0.90 117.51 119.79 2kd1 h ILE 88 Ca -0.01 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.29 2kd1 h ILE 88 Cb 1.17 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 2kd1 h ILE 88 CO 0.10 0.52 0.62 -0.78 0.00 0.00 0.00 178.15 178.61 2kd1 h ASP 89 N 0.65 1.05 0.21 1.72 3.58 -1.28 -0.99 116.42 121.36 2kd1 h ASP 89 Ca 0.05 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kd1 h ASP 89 Cb 0.97 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2kd1 h ASP 89 CO 0.09 0.73 -0.08 0.18 -2.88 0.00 0.00 179.24 177.29 2kd1 n LEU 90 N -4.46 0.64 -0.61 2.28 4.77 -0.37 -4.94 117.00 114.31 2kd1 n LEU 90 Ca 0.12 -0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2kd1 n LEU 90 Cb 0.06 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2kd1 n LEU 90 CO 0.35 0.11 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.83 2kd1 n GLU 91 N -0.71 -1.12 -0.17 3.23 1.02 -0.38 -4.88 120.64 117.64 2kd1 n GLU 91 Ca 0.17 0.70 -0.08 0.00 -0.02 0.00 0.00 57.16 57.94 2kd1 n GLU 91 Cb 0.27 -4.75 0.07 0.00 -0.02 0.00 0.00 31.44 27.01 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 0.95 -8.73 -4.62 3.38 -1.12 -3.44 115.31 101.74 2kd1 h LEU 92 Ca -0.16 -0.27 -0.42 0.00 0.09 0.00 0.00 57.88 57.11 2kd1 h LEU 92 Cb 0.80 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 2kd1 h LEU 92 CO 0.24 1.03 -0.75 0.27 0.09 0.00 0.00 178.44 179.32 2kd1 s ILE 93 N -4.95 1.48 -0.21 1.22 -4.36 -1.12 -4.41 121.20 108.86 2kd1 s ILE 93 Ca -0.11 -1.96 0.11 0.00 -0.26 0.00 0.00 60.65 58.44 2kd1 s ILE 93 Cb 0.14 -1.79 -0.21 0.00 1.25 0.00 0.00 42.46 41.85 2kd1 s ILE 93 CO 0.84 -0.52 -0.04 0.35 0.24 0.00 0.00 174.94 175.82 2kd1 n THR 94 N 0.08 1.33 -3.95 8.37 -2.24 -1.26 -3.81 114.28 112.80 2kd1 n THR 94 Ca -0.12 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.61 2kd1 n THR 94 Cb 0.59 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.47 3.31 -0.66 -0.78 2.20 -1.26 -4.95 119.74 115.13 2kd1 s LYS 95 Ca -0.18 -0.66 -0.27 0.00 -0.36 0.00 0.00 55.97 54.50 2kd1 s LYS 95 Cb 0.07 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2kd1 s LYS 95 CO 0.70 -0.20 1.68 1.21 -0.36 0.00 0.00 175.35 178.38 2kd1 s ASN 96 N 1.43 5.55 0.47 1.43 3.84 -1.26 -4.86 114.94 121.54 2kd1 s ASN 96 Ca 0.05 0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.50 2kd1 s ASN 96 Cb -0.14 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.46 2kd1 s ASN 96 CO -0.05 -2.22 1.95 -0.37 -2.79 0.00 0.00 177.10 173.62 2kd1 h VAL 97 N 6.64 0.00 -0.01 -5.21 -1.51 -1.93 -2.24 116.25 111.98 2kd1 h VAL 97 Ca -0.25 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2kd1 h VAL 97 Cb 1.12 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2kd1 h VAL 97 CO 1.24 0.00 -0.13 0.00 -1.23 0.00 0.00 177.57 177.45 2kd1 n ALA 98 N -1.97 2.83 0.18 5.19 0.00 -1.26 -3.89 120.51 121.59 2kd1 n ALA 98 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.03 2kd1 n ALA 98 Cb 0.21 -1.14 0.35 0.00 0.00 0.00 0.00 19.45 18.87 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 4.02 1.37 0.00 0.00 0.00 -1.77 -1.99 119.26 120.89 2kd1 h ALA 99 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kd1 h ALA 99 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kd1 h ALA 99 CO 0.00 0.47 -0.15 0.87 0.00 0.00 0.00 179.25 180.44 2kd1 h LYS 100 N 0.02 0.00 -6.03 0.00 1.79 -1.77 -3.44 116.57 107.15 2kd1 h LYS 100 Ca -0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 2kd1 h LYS 100 Cb 0.66 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.24 2kd1 h LYS 100 CO 0.05 0.00 1.16 0.99 -1.08 0.00 0.00 179.45 180.57 2kd1 s THR 101 N -3.20 3.62 0.20 -0.16 2.01 -0.75 -4.98 115.64 112.38 2kd1 s THR 101 Ca 0.07 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2kd1 s THR 101 Cb 0.08 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2kd1 s THR 101 CO 0.67 -1.42 0.43 -1.59 -0.69 0.00 0.00 174.62 172.02 2kd1 s LYS 102 N 6.18 3.60 -0.11 4.92 -2.85 -1.26 -5.01 119.74 125.20 2kd1 s LYS 102 Ca 0.55 -0.14 -0.29 0.00 -1.00 0.00 0.00 55.97 55.09 2kd1 s LYS 102 Cb -0.07 -2.79 -0.05 0.00 -2.06 0.00 0.00 37.83 32.87 2kd1 s LYS 102 CO 0.05 0.38 1.76 -1.17 0.10 0.00 0.00 175.35 176.48 2kd1 s LEU 103 N -3.11 4.11 0.40 2.77 2.96 -1.26 -4.99 118.68 119.55 2kd1 s LEU 103 Ca 0.41 2.08 -0.26 0.00 -0.22 0.00 0.00 54.13 56.14 2kd1 s LEU 103 Cb -0.11 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 2kd1 s LEU 103 CO 0.27 -1.17 1.33 -2.16 -1.32 0.00 0.00 176.35 173.29 2kd1 s PRO 104 N 4.59 3.99 -0.10 0.98 0.04 -1.26 -4.99 135.00 138.25 2kd1 s PRO 104 Ca 0.79 2.21 -0.28 0.00 0.04 0.00 0.00 61.00 63.76 2kd1 s PRO 104 Cb -0.32 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2kd1 s PRO 104 CO 0.32 -0.49 0.95 0.15 0.04 0.00 0.00 177.00 177.97 2kd1 s LYS 105 N -2.20 4.42 -0.37 4.56 3.01 -1.26 -4.87 119.74 123.03 2kd1 s LYS 105 Ca 0.56 1.29 0.06 0.00 -1.01 0.00 0.00 55.97 56.87 2kd1 s LYS 105 Cb -0.39 -3.53 0.55 0.00 -1.01 0.00 0.00 37.83 33.46 2kd1 s LYS 105 CO 0.51 -0.24 1.64 0.00 0.51 0.00 0.00 175.35 177.77 2kd1 n ALA 106 N 4.76 4.94 -3.00 5.17 0.00 -1.26 -4.99 120.51 126.13 2kd1 n ALA 106 Ca 0.07 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.38 2kd1 n ALA 106 Cb 0.49 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2kd1 n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kd1 n ASP 107 N -1.10 0.00 -3.86 0.00 5.75 -1.26 -5.02 116.55 111.05 2kd1 n ASP 107 Ca 0.45 -0.58 -0.09 0.00 -0.01 0.00 0.00 54.79 54.56 2kd1 n ASP 107 Cb 1.22 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 41.26 2kd1 n ASP 107 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kd1 s LYS 108 N -0.74 1.44 -0.44 0.11 0.00 -1.26 -5.12 119.74 113.73 2kd1 s LYS 108 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 55.97 54.64 2kd1 s LYS 108 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.33 2kd1 s LYS 108 CO 0.00 -0.61 1.42 -1.21 0.00 0.00 0.00 175.35 174.96 2kd1 s GLU 109 N -3.94 3.51 -0.15 1.78 0.41 -1.26 -4.89 118.70 114.17 2kd1 s GLU 109 Ca 0.15 0.86 0.02 0.00 -0.41 0.00 0.00 54.97 55.58 2kd1 s GLU 109 Cb -0.01 -4.05 0.25 0.00 -1.78 0.00 0.00 34.13 28.54 2kd1 s GLU 109 CO 0.02 -1.65 1.25 -0.85 -0.49 0.00 0.00 175.26 173.54 2kd1 n GLU 110 N 8.20 1.63 0.10 1.61 -0.00 -1.26 -3.95 120.64 126.97 2kd1 n GLU 110 Ca 0.16 -1.08 0.03 0.00 -0.00 0.00 0.00 57.16 56.27 2kd1 n GLU 110 Cb 0.48 -1.49 -0.01 0.00 -0.00 0.00 0.00 31.44 30.43 2kd1 n GLU 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2kd1 h LEU 111 N 1.08 0.00 -8.50 -1.84 3.38 -1.99 -3.37 115.31 104.08 2kd1 h LEU 111 Ca 0.18 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.61 2kd1 h LEU 111 Cb 1.54 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.22 2kd1 h LEU 111 CO 0.35 0.44 1.02 -1.61 0.09 0.00 0.00 178.44 178.73 2kd1 s GLU 112 N -3.01 3.37 0.00 1.13 0.41 -1.25 -4.25 118.70 115.09 2kd1 s GLU 112 Ca 0.01 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 2kd1 s GLU 112 Cb 0.08 -4.09 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 2kd1 s GLU 112 CO 0.77 -1.89 0.00 0.72 -0.49 0.00 0.00 175.26 174.37 2kd1 n HIS 113 N 8.92 0.00 -0.00 1.61 8.25 -1.26 -4.71 115.22 128.03 2kd1 n HIS 113 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 2kd1 n HIS 113 Cb 0.49 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 2kd1 n HIS 113 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kd1 h HIS 114 N 0.00 1.01 -3.01 4.41 6.17 -1.74 -3.43 115.15 118.56 2kd1 h HIS 114 Ca 0.00 -0.47 -0.56 0.00 0.71 0.00 0.00 60.37 60.05 2kd1 h HIS 114 Cb 0.00 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 2kd1 h HIS 114 CO 0.00 1.30 0.80 -1.01 0.71 0.00 0.00 177.93 179.73 2kd1 s HIS 115 N -3.64 3.06 0.55 5.26 3.76 -1.26 -5.02 115.29 118.01 2kd1 s HIS 115 Ca -0.10 1.16 -0.20 0.00 -0.15 0.00 0.00 55.06 55.77 2kd1 s HIS 115 Cb 0.08 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.29 2kd1 s HIS 115 CO 0.90 -1.38 1.23 -3.38 -0.85 0.00 0.00 174.74 171.27 2kd1 s HIS 116 N 2.87 2.48 0.94 1.40 -3.43 -1.26 -5.03 115.29 113.26 2kd1 s HIS 116 Ca 0.54 1.49 -0.12 0.00 -0.80 0.00 0.00 55.06 56.17 2kd1 s HIS 116 Cb -0.22 -3.53 0.16 0.00 -1.43 0.00 0.00 32.58 27.55 2kd1 s HIS 116 CO 0.17 -2.21 1.10 -3.38 -2.00 0.00 0.00 174.74 168.42 2kd1 s HIS 117 N -1.51 2.27 -2.15 0.38 -3.43 -1.26 -5.16 115.29 104.42 2kd1 s HIS 117 Ca 0.73 1.07 0.31 0.00 -0.80 0.00 0.00 55.06 56.37 2kd1 s HIS 117 Cb -0.32 -3.24 1.65 0.00 -1.43 0.00 0.00 32.58 29.24 2kd1 s HIS 117 CO 0.37 -2.59 2.08 1.58 -2.00 0.00 0.00 174.74 174.17