#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 -2.66 -0.77 3.17 -0.58 -1.26 -4.62 120.64 113.91 2kd1 n GLU 2 Ca 0.00 2.16 -0.29 0.00 -0.42 0.00 0.00 57.16 58.61 2kd1 n GLU 2 Cb 0.00 -2.98 0.24 0.00 -0.57 0.00 0.00 31.44 28.13 2kd1 n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kd1 s PRO 3 N -4.23 -1.17 -1.11 3.49 0.04 -1.26 -4.65 135.00 126.10 2kd1 s PRO 3 Ca 0.00 0.39 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 2kd1 s PRO 3 Cb 0.00 -1.56 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 2kd1 s PRO 3 CO 0.00 -3.78 1.92 0.43 0.04 0.00 0.00 177.00 175.61 2kd1 n SER 4 N -4.89 3.24 0.01 6.66 7.64 -1.26 -4.62 113.62 120.40 2kd1 n SER 4 Ca 0.07 -2.73 -0.17 0.00 1.01 0.00 0.00 58.87 57.05 2kd1 n SER 4 Cb 0.57 -1.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.05 2kd1 n SER 4 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kd1 h LYS 5 N 8.78 0.20 -6.09 1.43 1.79 -1.91 -3.47 116.57 117.29 2kd1 h LYS 5 Ca 0.32 -0.33 -0.56 0.00 -2.18 0.00 0.00 60.65 57.89 2kd1 h LYS 5 Cb 0.85 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.57 2kd1 h LYS 5 CO 1.47 1.01 0.27 -1.17 -1.08 0.00 0.00 179.45 179.95 2kd1 s LEU 6 N -6.78 4.28 0.56 2.94 2.96 -1.26 -5.02 118.68 116.35 2kd1 s LEU 6 Ca -0.16 1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.86 2kd1 s LEU 6 Cb 0.07 -3.26 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2kd1 s LEU 6 CO 0.80 -0.25 1.14 -0.44 -1.32 0.00 0.00 176.35 176.27 2kd1 s SER 7 N 0.98 5.61 0.27 3.68 0.01 -1.26 -3.32 113.70 119.67 2kd1 s SER 7 Ca 0.41 2.20 -0.02 0.00 1.31 0.00 0.00 55.95 59.86 2kd1 s SER 7 Cb -0.18 -2.58 0.37 0.00 0.21 0.00 0.00 66.02 63.84 2kd1 s SER 7 CO 0.18 -1.30 1.82 0.22 0.41 0.00 0.00 173.24 174.57 2kd1 h TYR 8 N 1.09 0.88 -0.67 2.43 3.20 -1.44 0.11 116.97 122.57 2kd1 h TYR 8 Ca -0.50 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 2kd1 h TYR 8 Cb 1.27 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2kd1 h TYR 8 CO 0.51 0.74 0.25 0.78 -1.64 0.00 0.00 178.16 178.80 2kd1 h GLY 9 N 0.98 1.09 2.00 1.82 0.00 -1.38 0.03 103.07 107.62 2kd1 h GLY 9 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2kd1 h GLY 9 CO -0.00 0.57 -0.50 0.83 0.00 0.00 0.00 176.54 177.45 2kd1 h GLU 10 N 0.96 0.00 -0.02 4.80 4.39 -1.69 -2.92 114.58 120.10 2kd1 h GLU 10 Ca 0.22 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.79 2kd1 h GLU 10 Cb 0.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2kd1 h GLU 10 CO -0.01 0.50 -0.60 -0.92 -1.16 0.00 0.00 179.01 176.81 2kd1 h TYR 11 N 0.00 0.07 0.00 4.33 3.20 -0.20 -2.61 116.97 121.75 2kd1 h TYR 11 Ca -0.00 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 2kd1 h TYR 11 Cb 1.01 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2kd1 h TYR 11 CO 0.00 0.64 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.81 2kd1 h LEU 12 N 0.04 0.00 -0.04 2.82 3.38 -0.82 0.36 115.31 121.05 2kd1 h LEU 12 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kd1 h LEU 12 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2kd1 h LEU 12 CO 0.08 0.28 -0.10 -0.33 0.09 0.00 0.00 178.44 178.46 2kd1 h GLU 13 N 0.00 0.13 -0.45 1.13 4.39 -1.38 -1.50 114.58 116.90 2kd1 h GLU 13 Ca -0.00 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2kd1 h GLU 13 Cb 0.68 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2kd1 h GLU 13 CO 0.04 0.71 -0.16 0.66 -1.16 0.00 0.00 179.01 179.10 2kd1 h SER 14 N -0.42 0.93 -0.31 1.42 4.64 -1.39 -2.45 113.55 115.97 2kd1 h SER 14 Ca -0.00 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 60.90 2kd1 h SER 14 Cb 0.72 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2kd1 h SER 14 CO 0.02 1.10 0.07 -0.25 -0.87 0.00 0.00 176.83 176.90 2kd1 h TRP 15 N 0.75 0.53 -0.67 4.77 7.01 -1.03 -2.99 115.95 124.32 2kd1 h TRP 15 Ca 0.11 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.06 2kd1 h TRP 15 Cb 0.72 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 2kd1 h TRP 15 CO 0.05 0.57 0.43 0.35 -2.79 0.00 0.00 178.44 177.05 2kd1 h PHE 16 N 0.34 0.80 -0.08 2.65 3.57 -1.23 0.12 116.94 123.11 2kd1 h PHE 16 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2kd1 h PHE 16 Cb 0.31 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2kd1 h PHE 16 CO 0.02 0.47 0.04 -0.97 -2.23 0.00 0.00 178.31 175.64 2kd1 h ASN 17 N 0.84 0.06 0.97 0.41 -1.24 -1.39 -1.66 115.58 113.59 2kd1 h ASN 17 Ca 0.26 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 2kd1 h ASN 17 Cb -0.01 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2kd1 h ASN 17 CO -0.09 0.05 -0.33 0.00 -1.29 0.00 0.00 177.43 175.77 2kd1 h THR 18 N 0.09 0.75 0.00 -3.57 1.03 -1.42 -3.15 112.91 106.65 2kd1 h THR 18 Ca 0.03 -1.46 -0.06 0.00 -0.01 0.00 0.00 66.41 64.92 2kd1 h THR 18 Cb 0.00 1.93 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 2kd1 h THR 18 CO -0.02 0.32 -0.28 0.50 -0.01 0.00 0.00 175.52 176.03 2kd1 h LYS 19 N 0.00 0.00 0.00 0.00 1.63 -0.17 -2.76 116.57 115.27 2kd1 h LYS 19 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kd1 h LYS 19 Cb 0.91 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2kd1 h LYS 19 CO 0.04 0.28 0.00 0.00 -3.45 0.00 0.00 179.45 176.32 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.28 0.10 114.38 118.18 2kd1 h ARG 20 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2kd1 h ARG 20 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2kd1 h ARG 20 CO 0.04 0.00 -0.78 0.45 -1.07 0.00 0.00 179.97 178.61 2kd1 h HIS 21 N 0.00 0.00 0.11 3.04 3.86 -1.69 -3.38 115.15 117.09 2kd1 h HIS 21 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 2kd1 h HIS 21 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2kd1 h HIS 21 CO 0.00 0.16 -1.40 1.03 0.86 0.00 0.00 177.93 178.58 2kd1 h SER 22 N 0.00 0.35 -2.18 2.45 0.87 -1.23 -3.48 113.55 110.34 2kd1 h SER 22 Ca -0.03 -0.84 -0.61 0.00 -1.23 0.00 0.00 61.79 59.08 2kd1 h SER 22 Cb 1.15 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 62.86 2kd1 h SER 22 CO 0.02 1.61 -0.74 0.68 -0.53 0.00 0.00 176.83 177.87 2kd1 s VAL 23 N -2.47 2.56 0.75 2.23 -7.23 -0.14 -5.14 120.40 110.96 2kd1 s VAL 23 Ca -0.20 -2.34 -0.14 0.00 -1.81 0.00 0.00 61.98 57.49 2kd1 s VAL 23 Cb 0.04 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.64 2kd1 s VAL 23 CO 0.75 -0.38 1.16 -0.83 -0.31 0.00 0.00 175.10 175.49 2kd1 s GLY 24 N -3.54 2.10 0.24 2.32 0.00 -1.26 -4.48 107.32 102.71 2kd1 s GLY 24 Ca 0.30 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.64 2kd1 s GLY 24 CO 0.16 1.05 1.80 -2.22 0.00 0.00 0.00 173.10 173.89 2kd1 h ILE 25 N -0.57 1.25 -0.35 0.90 1.08 -1.97 0.10 117.51 117.96 2kd1 h ILE 25 Ca -0.46 -0.81 -0.10 0.00 -0.39 0.00 0.00 64.86 63.09 2kd1 h ILE 25 Cb 1.27 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2kd1 h ILE 25 CO 0.50 0.32 -0.21 0.06 -0.69 0.00 0.00 178.15 178.13 2kd1 h GLN 26 N 1.04 0.66 -0.20 2.37 3.07 -2.00 -1.25 115.11 118.80 2kd1 h GLN 26 Ca 0.24 -0.25 -0.20 0.00 0.09 0.00 0.00 58.65 58.52 2kd1 h GLN 26 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2kd1 h GLN 26 CO -0.02 0.83 -0.67 1.15 0.09 0.00 0.00 178.83 180.21 2kd1 h THR 27 N 0.59 1.28 -0.42 1.86 2.02 -1.82 -3.22 112.91 113.20 2kd1 h THR 27 Ca 0.09 -1.88 -0.14 0.00 0.77 0.00 0.00 66.41 65.24 2kd1 h THR 27 Cb 0.68 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2kd1 h THR 27 CO 0.05 0.60 -0.29 0.00 0.37 0.00 0.00 175.52 176.25 2kd1 h ALA 28 N 0.66 0.60 -0.90 6.16 0.00 -0.69 -2.31 119.26 122.79 2kd1 h ALA 28 Ca -0.02 -0.42 0.12 0.00 0.00 0.00 0.00 54.91 54.59 2kd1 h ALA 28 Cb 1.29 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 2kd1 h ALA 28 CO 0.14 0.64 0.58 -0.22 0.00 0.00 0.00 179.25 180.38 2kd1 h LYS 29 N 0.77 0.77 -0.16 0.00 3.11 -1.28 -0.85 116.57 118.93 2kd1 h LYS 29 Ca 0.08 -0.05 -0.15 0.00 -2.81 0.00 0.00 60.65 57.73 2kd1 h LYS 29 Cb 0.87 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2kd1 h LYS 29 CO 0.08 0.51 -0.48 0.28 -2.81 0.00 0.00 179.45 177.02 2kd1 h VAL 30 N 0.79 1.33 -0.51 2.00 2.07 -1.49 -0.64 116.25 119.80 2kd1 h VAL 30 Ca 0.44 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2kd1 h VAL 30 Cb 0.57 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2kd1 h VAL 30 CO -0.20 0.54 0.30 -0.07 0.02 0.00 0.00 177.57 178.16 2kd1 h LEU 31 N 0.28 0.62 -0.06 2.57 3.38 -0.75 -1.80 115.31 119.54 2kd1 h LEU 31 Ca -0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2kd1 h LEU 31 Cb 1.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2kd1 h LEU 31 CO 0.10 0.50 -0.27 0.50 0.09 0.00 0.00 178.44 179.36 2kd1 h LYS 32 N 0.68 0.00 0.00 1.13 3.64 -1.26 -1.80 116.57 118.96 2kd1 h LYS 32 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2kd1 h LYS 32 Cb -0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kd1 h LYS 32 CO -0.03 0.27 -0.10 0.78 -2.27 0.00 0.00 179.45 178.11 2kd1 h GLY 33 N 3.64 0.00 1.12 5.01 0.00 -0.57 -0.86 103.07 111.42 2kd1 h GLY 33 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2kd1 h GLY 33 CO 0.04 0.00 -1.61 -0.97 0.00 0.00 0.00 176.54 174.00 2kd1 h TYR 34 N 0.00 0.59 0.85 5.60 0.05 -0.98 -3.29 116.97 119.79 2kd1 h TYR 34 Ca -0.00 -0.43 -0.04 0.00 0.05 0.00 0.00 58.73 58.31 2kd1 h TYR 34 Cb 0.21 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.93 2kd1 h TYR 34 CO 0.00 1.50 -0.41 -0.07 -1.05 0.00 0.00 178.16 178.13 2kd1 h LEU 35 N 0.09 -0.97 -1.24 3.88 3.38 -0.85 -0.82 115.31 118.77 2kd1 h LEU 35 Ca -0.28 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2kd1 h LEU 35 Cb 2.06 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 43.03 2kd1 h LEU 35 CO 0.18 -0.63 0.32 0.78 0.09 0.00 0.00 178.44 179.18 2kd1 h ASN 36 N -1.25 0.76 0.11 -0.43 2.35 -1.38 0.99 115.58 116.73 2kd1 h ASN 36 Ca -0.12 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2kd1 h ASN 36 Cb 0.88 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2kd1 h ASN 36 CO 0.19 0.62 -0.06 -1.28 -1.65 0.00 0.00 177.43 175.26 2kd1 h SER 37 N 0.85 -0.13 0.00 5.81 0.87 -1.63 -3.39 113.55 115.94 2kd1 h SER 37 Ca 0.22 -0.42 -0.24 0.00 -1.23 0.00 0.00 61.79 60.12 2kd1 h SER 37 Cb 0.04 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2kd1 h SER 37 CO -0.03 0.49 -1.68 0.54 -0.53 0.00 0.00 176.83 175.62 2kd1 n ARG 38 N -4.86 0.55 0.14 2.24 5.12 -0.32 -4.64 116.66 114.90 2kd1 n ARG 38 Ca -0.07 0.31 -0.24 0.00 -1.93 0.00 0.00 57.85 55.92 2kd1 n ARG 38 Cb 0.27 -1.52 -0.15 0.00 -1.16 0.00 0.00 32.46 29.89 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 1.30 -0.37 0.55 5.03 -1.08 -3.26 117.51 118.68 2kd1 h ILE 39 Ca -0.36 -2.69 0.04 0.00 -0.12 0.00 0.00 64.86 61.74 2kd1 h ILE 39 Cb 1.26 2.98 -0.04 0.00 -3.03 0.00 0.00 36.82 37.99 2kd1 h ILE 39 CO -0.22 0.81 0.12 0.40 -0.68 0.00 0.00 178.15 178.58 2kd1 h ILE 40 N 0.17 0.88 0.00 -0.67 5.03 -1.08 0.40 117.51 122.24 2kd1 h ILE 40 Ca -0.24 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 2kd1 h ILE 40 Cb 2.12 0.59 0.00 0.00 -3.03 0.00 0.00 36.82 36.50 2kd1 h ILE 40 CO 0.27 0.05 0.00 1.55 -0.68 0.00 0.00 178.15 179.34 2kd1 h PRO 41 N 0.27 0.00 0.00 2.37 0.13 -1.79 -2.98 132.00 130.00 2kd1 h PRO 41 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kd1 h PRO 41 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 2kd1 h PRO 41 CO -0.18 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.02 2kd1 n SER 42 N -2.40 0.00 -0.00 1.44 7.64 -0.46 -4.81 113.62 115.02 2kd1 n SER 42 Ca 0.03 0.02 0.10 0.00 1.01 0.00 0.00 58.87 60.03 2kd1 n SER 42 Cb 0.31 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.10 0.92 -0.06 -3.43 4.77 0.12 -4.53 117.00 112.68 2kd1 n LEU 43 Ca 0.00 -0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 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 0.23 0.64 1.23 -1.33 0.00 0.00 177.39 178.16 2kd1 h GLY 44 N 4.92 0.42 1.67 -0.72 0.00 -0.81 -2.86 103.07 105.68 2kd1 h GLY 44 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2kd1 h GLY 44 CO 0.00 0.36 0.20 3.43 0.00 0.00 0.00 176.54 180.53 2kd1 h ASN 45 N 0.05 0.32 -4.03 0.19 4.21 -1.76 -1.05 115.58 113.51 2kd1 h ASN 45 Ca 0.03 -0.01 -0.47 0.00 1.21 0.00 0.00 56.30 57.07 2kd1 h ASN 45 Cb 0.62 -0.08 0.02 0.00 -1.12 0.00 0.00 38.32 37.75 2kd1 h ASN 45 CO 0.03 0.23 0.39 -0.63 -1.29 0.00 0.00 177.43 176.16 2kd1 s ILE 46 N -5.36 3.83 0.43 2.81 1.01 -1.08 -4.87 121.20 117.97 2kd1 s ILE 46 Ca -0.07 1.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.58 2kd1 s ILE 46 Cb 0.17 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 2kd1 s ILE 46 CO 0.71 -0.15 1.14 -0.54 0.00 0.00 0.00 174.94 176.11 2kd1 s LYS 47 N -2.93 3.93 0.19 2.79 -0.14 -1.26 -1.66 119.74 120.66 2kd1 s LYS 47 Ca 0.63 1.74 -0.13 0.00 -1.36 0.00 0.00 55.97 56.85 2kd1 s LYS 47 Cb -0.18 -2.51 0.22 0.00 -1.68 0.00 0.00 37.83 33.68 2kd1 s LYS 47 CO 0.22 -0.40 1.69 1.25 -0.76 0.00 0.00 175.35 177.35 2kd1 h LEU 48 N 2.32 -0.17 -0.51 3.17 5.85 -1.83 -1.10 115.31 123.03 2kd1 h LEU 48 Ca -0.49 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2kd1 h LEU 48 Cb 1.24 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2kd1 h LEU 48 CO 0.61 -0.06 -0.03 0.00 -0.34 0.00 0.00 178.44 178.63 2kd1 h ALA 49 N 1.46 0.99 -0.02 1.25 0.00 -1.86 -3.17 119.26 117.91 2kd1 h ALA 49 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 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 -0.43 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.49 2kd1 n LYS 50 N -3.11 1.22 -1.98 0.00 4.76 -0.42 -4.60 118.16 114.04 2kd1 n LYS 50 Ca 0.03 -0.33 -0.29 0.00 -2.87 0.00 0.00 58.31 54.85 2kd1 n LYS 50 Cb 0.46 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.88 3.18 0.53 -0.35 1.02 -1.19 -4.93 118.68 115.06 2kd1 s LEU 51 Ca 0.40 -0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.33 2kd1 s LEU 51 Cb 0.20 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.89 2kd1 s LEU 51 CO 0.32 -2.77 0.73 0.28 0.02 0.00 0.00 176.35 174.93 2kd1 s THR 52 N 10.40 2.72 0.35 5.49 -1.32 -1.26 -4.48 115.64 127.54 2kd1 s THR 52 Ca 0.73 -0.75 0.28 0.00 -1.21 0.00 0.00 61.69 60.74 2kd1 s THR 52 Cb -0.09 -2.97 0.30 0.00 -1.51 0.00 0.00 72.50 68.23 2kd1 s THR 52 CO 0.07 0.00 2.04 -1.28 -2.21 0.00 0.00 174.62 173.24 2kd1 h SER 53 N 0.19 0.00 -0.81 8.08 0.87 -1.93 -1.53 113.55 118.42 2kd1 h SER 53 Ca -0.41 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2kd1 h SER 53 Cb 1.29 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.20 2kd1 h SER 53 CO 0.50 0.12 0.52 0.25 -0.53 0.00 0.00 176.83 177.69 2kd1 h LEU 54 N 0.00 0.86 -1.13 2.23 5.85 -1.98 -1.78 115.31 119.36 2kd1 h LEU 54 Ca -0.00 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2kd1 h LEU 54 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kd1 h LEU 54 CO 0.02 0.60 -0.40 0.45 -0.34 0.00 0.00 178.44 178.76 2kd1 h HIS 55 N 1.02 0.07 -0.06 1.25 3.86 -1.66 -1.74 115.15 117.88 2kd1 h HIS 55 Ca 0.32 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.42 2kd1 h HIS 55 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2kd1 h HIS 55 CO -0.03 0.46 -0.35 0.52 0.86 0.00 0.00 177.93 179.39 2kd1 h MET 56 N 0.05 0.35 -0.25 2.45 2.86 -1.41 -1.90 114.93 117.08 2kd1 h MET 56 Ca 0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2kd1 h MET 56 Cb 0.74 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2kd1 h MET 56 CO 0.06 0.94 0.13 0.37 1.06 0.00 0.00 176.91 179.46 2kd1 h GLN 57 N -0.15 0.34 0.00 1.72 5.75 -1.25 -1.52 115.11 120.00 2kd1 h GLN 57 Ca -0.03 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2kd1 h GLN 57 Cb 1.01 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 2kd1 h GLN 57 CO 0.07 0.32 -0.19 -0.91 -2.65 0.00 0.00 178.83 175.46 2kd1 h ASN 58 N 0.28 0.00 -0.07 -0.69 2.35 -1.40 -1.23 115.58 114.83 2kd1 h ASN 58 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2kd1 h ASN 58 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2kd1 h ASN 58 CO -0.01 0.19 -0.04 0.22 -1.65 0.00 0.00 177.43 176.14 2kd1 h TYR 59 N 0.00 0.16 -0.22 1.19 3.20 -0.87 -1.78 116.97 118.65 2kd1 h TYR 59 Ca -0.00 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 2kd1 h TYR 59 Cb 0.36 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2kd1 h TYR 59 CO 0.00 0.53 -0.11 0.28 -1.64 0.00 0.00 178.16 177.22 2kd1 h VAL 60 N -0.25 1.20 -0.41 1.81 2.07 -0.93 -1.82 116.25 117.91 2kd1 h VAL 60 Ca 0.01 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2kd1 h VAL 60 Cb 0.49 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2kd1 h VAL 60 CO 0.01 0.27 0.18 0.78 0.02 0.00 0.00 177.57 178.83 2kd1 h ASN 61 N 0.33 0.55 -0.81 0.57 2.35 -1.22 -2.94 115.58 114.41 2kd1 h ASN 61 Ca 0.07 -0.15 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 2kd1 h ASN 61 Cb 0.40 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2kd1 h ASN 61 CO 0.02 0.55 0.53 -1.28 -1.65 0.00 0.00 177.43 175.60 2kd1 h SER 62 N 0.51 0.77 0.23 5.81 0.87 -0.49 -1.67 113.55 119.59 2kd1 h SER 62 Ca 0.14 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2kd1 h SER 62 Cb 0.16 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kd1 h SER 62 CO -0.01 0.50 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.41 2kd1 h LEU 63 N 0.88 0.12 -0.31 2.23 3.38 -1.27 -0.42 115.31 119.93 2kd1 h LEU 63 Ca 0.35 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 2kd1 h LEU 63 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kd1 h LEU 63 CO -0.12 0.43 -0.57 -0.09 0.09 0.00 0.00 178.44 178.17 2kd1 h ARG 64 N 0.11 0.84 -0.34 1.13 2.43 -1.25 -0.18 114.38 117.12 2kd1 h ARG 64 Ca 0.01 -0.55 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 2kd1 h ARG 64 Cb 0.60 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2kd1 h ARG 64 CO 0.04 1.18 -0.12 -0.44 -1.51 0.00 0.00 179.97 179.12 2kd1 h ASP 65 N 0.64 0.58 1.75 -3.80 3.32 -0.90 -2.00 116.42 116.01 2kd1 h ASP 65 Ca 0.01 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2kd1 h ASP 65 Cb 1.18 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2kd1 h ASP 65 CO 0.12 0.73 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.01 2kd1 h GLU 66 N 0.54 0.00 -0.17 3.56 4.39 -1.08 -3.48 114.58 118.34 2kd1 h GLU 66 Ca 0.10 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2kd1 h GLU 66 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2kd1 h GLU 66 CO 0.03 0.04 -0.05 0.41 -1.16 0.00 0.00 179.01 178.28 2kd1 n GLY 67 N 0.88 0.47 3.77 -3.84 0.00 -0.27 -5.01 105.19 101.19 2kd1 n GLY 67 Ca 0.03 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.56 4.34 0.51 0.99 1.43 -0.24 -5.00 118.68 120.15 2kd1 s LEU 68 Ca 0.00 2.97 -0.18 0.00 -1.03 0.00 0.00 54.13 55.89 2kd1 s LEU 68 Cb 0.00 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 2kd1 s LEU 68 CO 0.00 -0.85 1.01 -1.59 0.23 0.00 0.00 176.35 175.15 2kd1 s LYS 69 N -1.43 3.81 0.55 1.70 -2.85 -1.26 -4.80 119.74 115.46 2kd1 s LYS 69 Ca 0.56 1.14 0.29 0.00 -1.00 0.00 0.00 55.97 56.96 2kd1 s LYS 69 Cb -0.46 -2.11 1.46 0.00 -2.06 0.00 0.00 37.83 34.66 2kd1 s LYS 69 CO 0.56 -0.40 1.93 0.07 0.10 0.00 0.00 175.35 177.62 2kd1 h ARG 70 N 1.12 0.00 -0.15 1.78 0.11 -1.94 0.03 114.38 115.33 2kd1 h ARG 70 Ca -0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 2kd1 h ARG 70 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 2kd1 h ARG 70 CO 0.60 0.00 -0.08 0.78 0.10 0.00 0.00 179.97 181.37 2kd1 h GLY 71 N 0.00 0.34 0.95 0.08 0.00 -2.00 -1.42 103.07 101.03 2kd1 h GLY 71 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2kd1 h GLY 71 CO -0.00 0.28 0.17 -0.84 0.00 0.00 0.00 176.54 176.15 2kd1 h THR 72 N -0.03 1.15 -0.06 4.70 2.02 -1.41 -2.99 112.91 116.28 2kd1 h THR 72 Ca 0.03 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.83 2kd1 h THR 72 Cb 0.55 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2kd1 h THR 72 CO 0.02 0.15 -0.07 0.40 0.37 0.00 0.00 175.52 176.39 2kd1 h ILE 73 N 0.41 0.79 -0.62 3.11 2.04 -1.29 -2.67 117.51 119.28 2kd1 h ILE 73 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 2kd1 h ILE 73 Cb 0.09 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 2kd1 h ILE 73 CO -0.02 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.27 2kd1 h GLU 74 N -0.10 0.37 0.06 2.37 4.81 -1.18 -1.53 114.58 119.37 2kd1 h GLU 74 Ca 0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kd1 h GLU 74 Cb 0.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kd1 h GLU 74 CO -0.12 0.24 -0.03 0.87 -0.73 0.00 0.00 179.01 179.24 2kd1 h LYS 75 N 0.38 -0.07 -0.12 1.92 1.57 -1.38 -2.06 116.57 116.81 2kd1 h LYS 75 Ca 0.32 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 2kd1 h LYS 75 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2kd1 h LYS 75 CO -0.34 0.23 -0.30 -0.84 -0.57 0.00 0.00 179.45 177.64 2kd1 h ILE 76 N -0.38 1.26 -0.36 1.86 3.07 -1.19 -0.60 117.51 121.17 2kd1 h ILE 76 Ca -0.01 -1.22 -0.01 0.00 1.55 0.00 0.00 64.86 65.17 2kd1 h ILE 76 Cb 0.34 1.50 -0.02 0.00 -0.27 0.00 0.00 36.82 38.37 2kd1 h ILE 76 CO 0.01 0.37 0.20 0.40 -1.05 0.00 0.00 178.15 178.09 2kd1 h ILE 77 N 0.20 1.14 -0.29 0.16 1.08 -1.26 -2.84 117.51 115.70 2kd1 h ILE 77 Ca 0.03 -0.35 -0.07 0.00 -0.39 0.00 0.00 64.86 64.08 2kd1 h ILE 77 Cb 0.64 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2kd1 h ILE 77 CO 0.05 0.14 -0.13 0.11 -0.69 0.00 0.00 178.15 177.63 2kd1 h LYS 78 N 0.46 0.49 -0.49 2.37 1.79 -0.42 -1.80 116.57 118.97 2kd1 h LYS 78 Ca 0.13 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 2kd1 h LYS 78 Cb 0.05 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2kd1 h LYS 78 CO -0.02 0.62 -0.05 0.28 -1.08 0.00 0.00 179.45 179.20 2kd1 h VAL 79 N 0.45 1.27 -0.64 0.50 2.07 -1.10 0.77 116.25 119.57 2kd1 h VAL 79 Ca 0.08 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2kd1 h VAL 79 Cb 0.50 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2kd1 h VAL 79 CO 0.03 0.40 0.25 0.40 0.02 0.00 0.00 177.57 178.67 2kd1 h ILE 80 N 0.76 1.24 -0.35 4.57 2.04 -1.31 -2.80 117.51 121.66 2kd1 h ILE 80 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2kd1 h ILE 80 Cb 0.58 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2kd1 h ILE 80 CO 0.03 0.30 0.19 0.03 0.00 0.00 0.00 178.15 178.71 2kd1 h ARG 81 N 0.90 0.49 -0.79 2.37 3.08 -1.03 -2.29 114.38 117.12 2kd1 h ARG 81 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kd1 h ARG 81 Cb 0.22 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2kd1 h ARG 81 CO -0.02 0.41 0.51 -0.91 -1.07 0.00 0.00 179.97 178.89 2kd1 h ASN 82 N 0.45 0.92 -0.06 7.04 2.35 -0.68 0.62 115.58 126.22 2kd1 h ASN 82 Ca 0.12 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 2kd1 h ASN 82 Cb 0.06 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.21 2kd1 h ASN 82 CO -0.02 0.67 -0.50 0.77 -1.65 0.00 0.00 177.43 176.71 2kd1 h SER 83 N 1.07 0.53 0.73 5.81 4.64 -1.47 -2.98 113.55 121.90 2kd1 h SER 83 Ca 0.29 -0.69 -0.13 0.00 -0.47 0.00 0.00 61.79 60.79 2kd1 h SER 83 Cb -0.10 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2kd1 h SER 83 CO -0.06 1.14 -0.60 -0.07 -0.87 0.00 0.00 176.83 176.37 2kd1 h LEU 84 N -0.03 0.00 -0.63 5.97 3.38 -1.00 0.97 115.31 123.96 2kd1 h LEU 84 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2kd1 h LEU 84 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2kd1 h LEU 84 CO 0.10 0.60 -0.03 -0.33 0.09 0.00 0.00 178.44 178.87 2kd1 h GLU 85 N 0.00 1.04 0.00 1.13 4.39 -1.00 -2.54 114.58 117.61 2kd1 h GLU 85 Ca -0.01 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.25 2kd1 h GLU 85 Cb 1.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2kd1 h GLU 85 CO 0.08 1.04 -0.48 1.25 -1.16 0.00 0.00 179.01 179.73 2kd1 h HIS 86 N 0.95 0.00 -0.03 4.33 2.76 -1.29 -2.58 115.15 119.29 2kd1 h HIS 86 Ca 0.16 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.17 2kd1 h HIS 86 Cb 0.58 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2kd1 h HIS 86 CO 0.04 0.48 -0.74 0.00 -1.30 0.00 0.00 177.93 176.42 2kd1 h ALA 87 N 1.52 0.71 -0.58 5.26 0.00 -0.62 -0.24 119.26 125.30 2kd1 h ALA 87 Ca -0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 2kd1 h ALA 87 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kd1 h ALA 87 CO 0.06 0.84 -0.02 0.82 0.00 0.00 0.00 179.25 180.95 2kd1 h ILE 88 N 0.11 1.27 -0.22 0.00 2.04 -1.37 -0.19 117.51 119.16 2kd1 h ILE 88 Ca -0.02 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 2kd1 h ILE 88 Cb 1.30 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2kd1 h ILE 88 CO 0.11 0.42 -0.05 -0.78 0.00 0.00 0.00 178.15 177.85 2kd1 h ASP 89 N 0.93 0.31 -0.02 1.72 3.58 -1.21 -1.29 116.42 120.42 2kd1 h ASP 89 Ca 0.16 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kd1 h ASP 89 Cb 0.58 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kd1 h ASP 89 CO 0.03 0.41 0.00 0.18 -2.88 0.00 0.00 179.24 176.98 2kd1 n LEU 90 N -4.31 1.52 -0.85 2.28 4.77 -0.12 -4.93 117.00 115.36 2kd1 n LEU 90 Ca 0.00 -0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 55.36 2kd1 n LEU 90 Cb 0.23 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2kd1 n LEU 90 CO 0.38 0.26 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.97 2kd1 n GLU 91 N 0.19 -1.51 0.20 3.23 1.02 -0.49 -1.13 120.64 122.16 2kd1 n GLU 91 Ca 0.19 0.87 0.08 0.00 -0.02 0.00 0.00 57.16 58.27 2kd1 n GLU 91 Cb 0.36 -5.19 0.39 0.00 -0.02 0.00 0.00 31.44 26.98 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 -8.02 -4.62 3.38 -1.34 -3.41 115.31 101.30 2kd1 h LEU 92 Ca -0.23 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.41 2kd1 h LEU 92 Cb 1.09 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.58 2kd1 h LEU 92 CO 0.33 0.30 -0.76 0.27 0.09 0.00 0.00 178.44 178.68 2kd1 s ILE 93 N -3.64 0.55 -0.32 1.22 -4.36 -1.10 -4.36 121.20 109.19 2kd1 s ILE 93 Ca 0.00 -0.51 0.23 0.00 -0.26 0.00 0.00 60.65 60.10 2kd1 s ILE 93 Cb 0.11 -0.51 0.14 0.00 1.25 0.00 0.00 42.46 43.45 2kd1 s ILE 93 CO 0.66 0.01 1.28 0.71 0.24 0.00 0.00 174.94 177.84 2kd1 h THR 94 N 4.84 0.00 -2.58 8.37 1.35 -1.89 -3.34 112.91 119.67 2kd1 h THR 94 Ca -0.31 -1.01 -0.09 0.00 -0.55 0.00 0.00 66.41 64.45 2kd1 h THR 94 Cb 1.19 1.71 -0.21 0.00 -1.73 0.00 0.00 68.15 69.12 2kd1 h THR 94 CO 0.47 0.00 -0.09 -0.75 -0.25 0.00 0.00 175.52 174.90 2kd1 s LYS 95 N -3.30 0.76 0.19 4.72 2.20 -1.26 -5.02 119.74 118.03 2kd1 s LYS 95 Ca 0.03 0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.90 2kd1 s LYS 95 Cb 0.08 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 2kd1 s LYS 95 CO 0.74 -0.20 0.03 0.54 -0.36 0.00 0.00 175.35 176.11 2kd1 s ASN 96 N -0.85 4.91 -0.00 1.43 2.20 -1.26 -5.00 114.94 116.37 2kd1 s ASN 96 Ca -0.09 -0.37 0.19 0.00 -0.94 0.00 0.00 52.86 51.65 2kd1 s ASN 96 Cb -0.03 -1.09 0.55 0.00 -2.00 0.00 0.00 41.25 38.68 2kd1 s ASN 96 CO 0.05 0.07 1.46 1.33 -2.94 0.00 0.00 177.10 177.07 2kd1 n VAL 97 N -0.29 0.83 0.06 3.54 0.24 -1.26 -4.34 118.33 117.12 2kd1 n VAL 97 Ca -0.09 -0.83 -0.06 0.00 -2.04 0.00 0.00 64.34 61.32 2kd1 n VAL 97 Cb 0.56 0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 h ALA 98 N 4.14 0.40 -0.19 2.33 0.00 -1.93 -3.09 119.26 120.92 2kd1 h ALA 98 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 2kd1 h ALA 98 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kd1 h ALA 98 CO 0.00 1.20 0.10 0.00 0.00 0.00 0.00 179.25 180.55 2kd1 h ALA 99 N 1.05 1.83 0.00 0.00 0.00 -1.95 -1.67 119.26 118.52 2kd1 h ALA 99 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2kd1 h ALA 99 Cb 1.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kd1 h ALA 99 CO 0.12 0.15 -0.33 0.87 0.00 0.00 0.00 179.25 180.06 2kd1 h LYS 100 N 0.25 0.00 -6.14 0.00 1.79 -1.84 -3.44 116.57 107.20 2kd1 h LYS 100 Ca 0.07 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.03 2kd1 h LYS 100 Cb 0.01 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 2kd1 h LYS 100 CO -0.01 0.33 1.18 0.99 -1.08 0.00 0.00 179.45 180.86 2kd1 s THR 101 N -3.08 3.61 0.36 -0.16 2.01 -0.63 -4.97 115.64 112.78 2kd1 s THR 101 Ca 0.05 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.20 2kd1 s THR 101 Cb 0.07 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2kd1 s THR 101 CO 0.71 -1.50 0.21 -1.59 -0.69 0.00 0.00 174.62 171.77 2kd1 s LYS 102 N 6.14 2.43 -0.34 4.92 -2.85 -1.26 -4.93 119.74 123.85 2kd1 s LYS 102 Ca 0.50 -1.55 -0.26 0.00 -1.00 0.00 0.00 55.97 53.66 2kd1 s LYS 102 Cb -0.08 -2.23 0.01 0.00 -2.06 0.00 0.00 37.83 33.48 2kd1 s LYS 102 CO 0.11 0.02 0.91 -1.17 0.10 0.00 0.00 175.35 175.32 2kd1 s LEU 103 N -3.93 4.02 1.09 2.77 2.96 -1.26 -5.07 118.68 119.26 2kd1 s LEU 103 Ca 0.40 0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 54.84 2kd1 s LEU 103 Cb -0.02 -3.26 0.24 0.00 0.50 0.00 0.00 46.19 43.65 2kd1 s LEU 103 CO 0.24 -0.78 1.19 -2.16 -1.32 0.00 0.00 176.35 173.52 2kd1 s PRO 104 N 3.34 -0.35 -1.16 0.98 0.04 -1.26 -4.91 135.00 131.67 2kd1 s PRO 104 Ca 0.38 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.04 2kd1 s PRO 104 Cb -0.13 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 2kd1 s PRO 104 CO 0.16 -3.12 1.92 0.15 0.04 0.00 0.00 177.00 176.15 2kd1 s LYS 105 N -5.56 2.59 0.55 4.56 1.02 -1.26 -4.95 119.74 116.69 2kd1 s LYS 105 Ca 0.71 -1.13 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 2kd1 s LYS 105 Cb -0.08 -5.24 -0.06 0.00 -0.52 0.00 0.00 37.83 31.93 2kd1 s LYS 105 CO 0.55 -3.82 1.04 0.00 -0.92 0.00 0.00 175.35 172.19 2kd1 s ALA 106 N 10.53 2.84 -0.20 5.17 0.00 -1.26 -4.94 121.76 133.90 2kd1 s ALA 106 Ca 0.68 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.73 2kd1 s ALA 106 Cb -0.01 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2kd1 s ALA 106 CO 0.11 -0.56 2.11 -3.47 0.00 0.00 0.00 175.76 173.96 2kd1 n ASP 107 N -1.64 3.11 -3.64 0.00 2.03 -1.26 -4.94 116.55 110.21 2kd1 n ASP 107 Ca 0.08 0.50 -0.10 0.00 0.52 0.00 0.00 54.79 55.79 2kd1 n ASP 107 Cb 0.53 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.42 2kd1 n ASP 107 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kd1 s LYS 108 N 5.63 0.63 0.96 -0.67 2.47 -1.26 -4.95 119.74 122.54 2kd1 s LYS 108 Ca 1.00 0.80 -0.11 0.00 -1.56 0.00 0.00 55.97 56.11 2kd1 s LYS 108 Cb -0.56 0.27 0.17 0.00 -1.46 0.00 0.00 37.83 36.25 2kd1 s LYS 108 CO 0.43 -0.08 1.11 -1.83 0.16 0.00 0.00 175.35 175.13 2kd1 s GLU 109 N 0.53 0.71 -0.30 4.03 -1.05 -1.26 -4.97 118.70 116.39 2kd1 s GLU 109 Ca -0.00 1.26 0.11 0.00 -0.15 0.00 0.00 54.97 56.18 2kd1 s GLU 109 Cb -0.05 -1.71 0.70 0.00 -0.44 0.00 0.00 34.13 32.62 2kd1 s GLU 109 CO -0.06 -2.75 1.72 -0.85 0.95 0.00 0.00 175.26 174.27 2kd1 n GLU 110 N -4.28 3.46 0.06 -4.83 0.28 -1.26 -4.53 120.64 109.53 2kd1 n GLU 110 Ca 0.09 -3.07 0.01 0.00 -0.16 0.00 0.00 57.16 54.03 2kd1 n GLU 110 Cb 0.53 -2.13 0.33 0.00 1.43 0.00 0.00 31.44 31.61 2kd1 n GLU 110 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2kd1 h LEU 111 N 2.42 0.36 -2.15 -1.84 3.38 -1.96 -1.64 115.31 113.89 2kd1 h LEU 111 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kd1 h LEU 111 Cb 2.13 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 2kd1 h LEU 111 CO 0.62 0.49 -0.02 -0.33 0.09 0.00 0.00 178.44 179.29 2kd1 h GLU 112 N 0.37 0.00 0.00 1.13 5.08 -2.01 -2.45 114.58 116.70 2kd1 h GLU 112 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kd1 h GLU 112 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2kd1 h GLU 112 CO 0.02 0.02 -0.77 0.45 -1.00 0.00 0.00 179.01 177.72 2kd1 h HIS 113 N 0.00 0.00 -3.25 4.33 3.86 -1.64 -3.46 115.15 114.98 2kd1 h HIS 113 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2kd1 h HIS 113 Cb 0.28 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.67 2kd1 h HIS 113 CO 0.00 0.00 0.51 -1.01 0.86 0.00 0.00 177.93 178.29 2kd1 s HIS 114 N -3.24 3.34 -0.37 2.45 3.76 -0.93 -4.97 115.29 115.34 2kd1 s HIS 114 Ca 0.04 1.22 0.01 0.00 -0.15 0.00 0.00 55.06 56.18 2kd1 s HIS 114 Cb 0.12 -3.08 0.18 0.00 1.11 0.00 0.00 32.58 30.91 2kd1 s HIS 114 CO 0.75 -0.38 0.79 -3.38 -0.85 0.00 0.00 174.74 171.67 2kd1 s HIS 115 N 2.75 -1.22 -0.01 1.40 -3.43 -1.26 -5.04 115.29 108.49 2kd1 s HIS 115 Ca 0.37 0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 54.87 2kd1 s HIS 115 Cb -0.16 0.22 -0.00 0.00 -1.43 0.00 0.00 32.58 31.22 2kd1 s HIS 115 CO 0.08 -0.81 -0.00 0.45 -2.00 0.00 0.00 174.74 172.46 2kd1 h HIS 116 N 6.53 0.00 -0.61 0.38 3.86 -2.02 -3.37 115.15 119.91 2kd1 h HIS 116 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kd1 h HIS 116 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2kd1 h HIS 116 CO 0.05 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.42 2kd1 n HIS 117 N -2.27 0.82 0.80 2.45 -0.00 -1.26 -5.35 115.22 110.40 2kd1 n HIS 117 Ca -0.00 -0.41 0.10 0.00 -0.00 0.00 0.00 57.72 57.41 2kd1 n HIS 117 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.07 2kd1 n HIS 117 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92