#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 0.95 0.04 0.03 2.02 -1.26 -5.13 118.70 115.35 2kd1 s GLU 2 Ca 0.00 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 2kd1 s GLU 2 Cb 0.00 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 2kd1 s GLU 2 CO 0.00 -0.76 1.52 -1.25 0.02 0.00 0.00 175.26 174.78 2kd1 s PRO 3 N 1.62 4.24 0.00 0.39 0.04 -1.26 -4.91 135.00 135.13 2kd1 s PRO 3 Ca 0.02 2.15 0.19 0.00 0.04 0.00 0.00 61.00 63.39 2kd1 s PRO 3 Cb -0.18 -3.55 0.88 0.00 0.04 0.00 0.00 34.50 31.69 2kd1 s PRO 3 CO -0.14 -0.64 1.59 0.43 0.04 0.00 0.00 177.00 178.28 2kd1 n SER 4 N 5.35 0.00 -3.29 6.66 7.64 -1.26 -4.89 113.62 123.82 2kd1 n SER 4 Ca 0.14 0.23 -0.16 0.00 1.01 0.00 0.00 58.87 60.10 2kd1 n SER 4 Cb 0.42 -0.38 0.08 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.38 -3.63 -2.20 1.43 4.76 -1.26 -4.88 118.16 111.00 2kd1 n LYS 5 Ca 0.07 0.86 -0.43 0.00 -2.87 0.00 0.00 58.31 55.94 2kd1 n LYS 5 Cb 0.18 -5.82 -0.02 0.00 -1.84 0.00 0.00 35.03 27.52 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 -5.68 4.25 0.40 -0.35 2.96 -1.26 -4.98 118.68 114.02 2kd1 s LEU 6 Ca 0.31 1.98 -0.23 0.00 -0.22 0.00 0.00 54.13 55.97 2kd1 s LEU 6 Cb -0.04 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 2kd1 s LEU 6 CO 0.73 -0.86 0.96 -0.94 -1.32 0.00 0.00 176.35 174.93 2kd1 s SER 7 N 2.74 7.01 0.47 3.68 1.04 -1.26 -1.87 113.70 125.51 2kd1 s SER 7 Ca 0.65 1.77 0.18 0.00 0.48 0.00 0.00 55.95 59.03 2kd1 s SER 7 Cb -0.28 -2.56 1.15 0.00 0.10 0.00 0.00 66.02 64.43 2kd1 s SER 7 CO 0.23 -0.31 2.03 0.22 0.98 0.00 0.00 173.24 176.39 2kd1 h TYR 8 N 2.31 0.00 -0.39 5.02 3.20 -1.24 -1.47 116.97 124.40 2kd1 h TYR 8 Ca -0.48 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.33 2kd1 h TYR 8 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2kd1 h TYR 8 CO 0.61 0.15 0.04 0.78 -1.64 0.00 0.00 178.16 178.10 2kd1 h GLY 9 N 0.53 0.73 1.68 1.82 0.00 -1.22 -0.56 103.07 106.05 2kd1 h GLY 9 Ca -0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 2kd1 h GLY 9 CO 0.02 0.47 -0.67 0.83 0.00 0.00 0.00 176.54 177.19 2kd1 h GLU 10 N 0.51 0.32 -0.59 4.80 4.39 -1.73 -3.15 114.58 119.13 2kd1 h GLU 10 Ca 0.12 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2kd1 h GLU 10 Cb 0.42 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2kd1 h GLU 10 CO 0.01 0.87 0.34 -0.92 -1.16 0.00 0.00 179.01 178.15 2kd1 h TYR 11 N 0.22 0.81 -0.30 4.33 3.20 -1.06 -2.73 116.97 121.44 2kd1 h TYR 11 Ca -0.02 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2kd1 h TYR 11 Cb 1.21 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2kd1 h TYR 11 CO 0.03 0.57 0.08 -0.07 -1.64 0.00 0.00 178.16 177.13 2kd1 h LEU 12 N 0.80 0.40 -0.15 2.82 3.38 -1.08 -0.26 115.31 121.22 2kd1 h LEU 12 Ca 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2kd1 h LEU 12 Cb 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2kd1 h LEU 12 CO -0.04 0.40 -0.10 -0.33 0.09 0.00 0.00 178.44 178.47 2kd1 h GLU 13 N 0.43 0.33 -0.21 1.13 4.39 -1.47 -0.27 114.58 118.92 2kd1 h GLU 13 Ca 0.10 -0.16 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2kd1 h GLU 13 Cb 0.17 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kd1 h GLU 13 CO -0.00 0.68 -0.48 0.66 -1.16 0.00 0.00 179.01 178.71 2kd1 h SER 14 N -0.01 0.78 -0.94 1.42 4.64 -1.33 -2.02 113.55 116.09 2kd1 h SER 14 Ca 0.03 -0.56 0.01 0.00 -0.47 0.00 0.00 61.79 60.80 2kd1 h SER 14 Cb 0.60 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 2kd1 h SER 14 CO 0.03 1.20 0.62 -0.25 -0.87 0.00 0.00 176.83 177.56 2kd1 h TRP 15 N 0.39 1.18 -0.42 4.77 7.01 -1.12 -2.61 115.95 125.16 2kd1 h TRP 15 Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2kd1 h TRP 15 Cb 1.09 -0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 2kd1 h TRP 15 CO 0.09 0.73 0.16 0.35 -2.79 0.00 0.00 178.44 176.98 2kd1 h PHE 16 N 1.26 0.64 -0.97 2.65 3.57 -0.87 -0.71 116.94 122.51 2kd1 h PHE 16 Ca 0.35 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.81 2kd1 h PHE 16 Cb -0.12 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 2kd1 h PHE 16 CO -0.00 0.57 0.64 -0.91 -2.23 0.00 0.00 178.31 176.38 2kd1 h ASN 17 N 0.53 1.11 1.29 0.41 2.35 -1.01 -1.01 115.58 119.24 2kd1 h ASN 17 Ca 0.14 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 2kd1 h ASN 17 Cb 0.21 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2kd1 h ASN 17 CO -0.01 0.79 -0.67 0.00 -1.65 0.00 0.00 177.43 175.89 2kd1 h THR 18 N 1.30 1.17 0.00 2.81 1.03 -1.48 -3.32 112.91 114.43 2kd1 h THR 18 Ca 0.36 -2.61 -0.10 0.00 -0.01 0.00 0.00 66.41 64.05 2kd1 h THR 18 Cb -0.13 2.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.49 2kd1 h THR 18 CO -0.09 0.66 -0.49 0.50 -0.01 0.00 0.00 175.52 176.09 2kd1 h LYS 19 N 0.00 0.00 -0.09 0.00 1.63 0.09 -2.78 116.57 115.43 2kd1 h LYS 19 Ca -0.01 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2kd1 h LYS 19 Cb 1.49 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.12 2kd1 h LYS 19 CO 0.09 0.49 0.15 0.00 -3.45 0.00 0.00 179.45 176.73 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.35 0.05 114.38 118.07 2kd1 h ARG 20 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2kd1 h ARG 20 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2kd1 h ARG 20 CO 0.06 0.00 -0.17 0.45 -1.07 0.00 0.00 179.97 179.24 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.71 -3.32 115.15 117.02 2kd1 h HIS 21 Ca 0.04 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.12 2kd1 h HIS 21 Cb 0.34 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2kd1 h HIS 21 CO 0.00 0.17 -1.29 0.43 0.86 0.00 0.00 177.93 178.10 2kd1 n SER 22 N -3.92 1.91 -4.77 2.45 7.64 -0.13 -4.99 113.62 111.81 2kd1 n SER 22 Ca -0.02 0.41 -0.39 0.00 1.01 0.00 0.00 58.87 59.87 2kd1 n SER 22 Cb 0.26 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kd1 s VAL 23 N -2.62 4.43 0.56 0.44 -7.23 -0.43 -5.05 120.40 110.50 2kd1 s VAL 23 Ca -0.28 1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 61.36 2kd1 s VAL 23 Cb 0.06 -4.13 -0.05 0.00 0.56 0.00 0.00 36.38 32.83 2kd1 s VAL 23 CO 0.42 0.50 1.24 -0.83 -0.31 0.00 0.00 175.10 176.12 2kd1 s GLY 24 N -0.98 2.80 0.35 2.32 0.00 -1.26 -4.46 107.32 106.09 2kd1 s GLY 24 Ca 0.36 1.09 0.05 0.00 0.00 0.00 0.00 44.72 46.23 2kd1 s GLY 24 CO 0.26 1.53 1.94 -2.22 0.00 0.00 0.00 173.10 174.61 2kd1 h ILE 25 N 1.22 1.00 -0.15 0.90 1.08 -1.97 0.19 117.51 119.78 2kd1 h ILE 25 Ca -0.50 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2kd1 h ILE 25 Cb 1.29 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2kd1 h ILE 25 CO 0.57 0.14 0.08 0.06 -0.69 0.00 0.00 178.15 178.31 2kd1 h GLN 26 N 0.79 0.22 -0.12 2.37 3.07 -2.01 -1.87 115.11 117.57 2kd1 h GLN 26 Ca 0.35 -0.03 -0.13 0.00 0.09 0.00 0.00 58.65 58.92 2kd1 h GLN 26 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2kd1 h GLN 26 CO -0.13 0.26 -0.51 1.15 0.09 0.00 0.00 178.83 179.70 2kd1 h THR 27 N 0.12 1.34 -0.00 1.86 2.02 -1.66 -3.22 112.91 113.37 2kd1 h THR 27 Ca 0.05 -1.75 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 2kd1 h THR 27 Cb 0.11 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2kd1 h THR 27 CO -0.01 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.41 2kd1 h ALA 28 N 1.21 0.00 -0.26 6.16 0.00 -0.54 -2.08 119.26 123.77 2kd1 h ALA 28 Ca 0.01 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2kd1 h ALA 28 Cb 0.98 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kd1 h ALA 28 CO 0.08 -0.35 0.17 -0.22 0.00 0.00 0.00 179.25 178.93 2kd1 h LYS 29 N -0.28 0.19 -0.15 0.00 3.11 -1.39 -0.31 116.57 117.74 2kd1 h LYS 29 Ca 0.00 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.68 2kd1 h LYS 29 Cb 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2kd1 h LYS 29 CO 0.00 0.12 -0.50 0.28 -2.81 0.00 0.00 179.45 176.54 2kd1 h VAL 30 N 0.19 1.34 -0.73 2.00 2.07 -1.51 -0.41 116.25 119.20 2kd1 h VAL 30 Ca 0.11 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 2kd1 h VAL 30 Cb 0.20 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2kd1 h VAL 30 CO -0.02 0.54 0.22 -0.07 0.02 0.00 0.00 177.57 178.26 2kd1 h LEU 31 N 0.26 1.07 -0.69 2.57 3.38 -0.62 -1.97 115.31 119.31 2kd1 h LEU 31 Ca -0.02 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2kd1 h LEU 31 Cb 1.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2kd1 h LEU 31 CO 0.11 1.00 -0.29 0.50 0.09 0.00 0.00 178.44 179.85 2kd1 h LYS 32 N 1.09 0.70 0.00 1.13 3.64 -1.10 -1.84 116.57 120.19 2kd1 h LYS 32 Ca 0.24 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2kd1 h LYS 32 Cb 0.32 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kd1 h LYS 32 CO -0.01 0.91 -0.04 0.78 -2.27 0.00 0.00 179.45 178.82 2kd1 h GLY 33 N 0.98 0.00 1.38 5.01 0.00 -0.56 -1.02 103.07 108.87 2kd1 h GLY 33 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.09 2kd1 h GLY 33 CO 0.07 0.00 -1.41 -0.97 0.00 0.00 0.00 176.54 174.22 2kd1 h TYR 34 N 0.00 0.80 0.81 5.60 0.05 -0.94 -3.31 116.97 119.98 2kd1 h TYR 34 Ca -0.00 -0.59 -0.04 0.00 0.05 0.00 0.00 58.73 58.16 2kd1 h TYR 34 Cb 0.10 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.81 2kd1 h TYR 34 CO 0.00 1.47 -0.44 -0.07 -1.05 0.00 0.00 178.16 178.07 2kd1 h LEU 35 N 0.12 -1.07 -0.96 3.88 3.38 -0.36 -0.06 115.31 120.24 2kd1 h LEU 35 Ca -0.22 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2kd1 h LEU 35 Cb 2.10 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 43.13 2kd1 h LEU 35 CO 0.25 -0.71 -0.47 -0.55 0.09 0.00 0.00 178.44 177.05 2kd1 h ASN 36 N -1.15 0.13 0.12 -0.43 7.08 -1.67 0.25 115.58 119.90 2kd1 h ASN 36 Ca -0.11 -0.06 -0.16 0.00 -3.08 0.00 0.00 56.30 52.90 2kd1 h ASN 36 Cb 0.90 -0.04 0.02 0.00 -2.08 0.00 0.00 38.32 37.12 2kd1 h ASN 36 CO 0.15 0.58 -0.68 -1.28 -2.08 0.00 0.00 177.43 174.12 2kd1 h SER 37 N 0.10 0.40 0.00 6.14 0.87 -1.63 -3.37 113.55 116.06 2kd1 h SER 37 Ca 0.00 -0.95 -0.09 0.00 -1.23 0.00 0.00 61.79 59.52 2kd1 h SER 37 Cb 0.86 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2kd1 h SER 37 CO 0.07 1.33 -1.17 0.54 -0.53 0.00 0.00 176.83 177.06 2kd1 n ARG 38 N -4.20 0.53 0.11 2.24 5.12 -0.04 -4.69 116.66 115.72 2kd1 n ARG 38 Ca -0.13 0.31 -0.23 0.00 -1.93 0.00 0.00 57.85 55.86 2kd1 n ARG 38 Cb 0.77 -1.51 -0.15 0.00 -1.16 0.00 0.00 32.46 30.40 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 1.33 -0.47 0.55 5.03 -1.14 -3.35 117.51 118.46 2kd1 h ILE 39 Ca -0.14 -2.63 0.03 0.00 -0.12 0.00 0.00 64.86 62.00 2kd1 h ILE 39 Cb 1.02 3.08 -0.04 0.00 -3.03 0.00 0.00 36.82 37.85 2kd1 h ILE 39 CO -0.08 0.78 0.25 0.40 -0.68 0.00 0.00 178.15 178.82 2kd1 h ILE 40 N -0.03 1.00 0.00 -0.67 5.03 -1.17 0.26 117.51 121.93 2kd1 h ILE 40 Ca -0.23 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 2kd1 h ILE 40 Cb 2.00 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.23 2kd1 h ILE 40 CO 0.23 0.09 0.00 1.55 -0.68 0.00 0.00 178.15 179.34 2kd1 h PRO 41 N 0.51 0.00 0.00 2.37 0.13 -1.75 -2.62 132.00 130.64 2kd1 h PRO 41 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kd1 h PRO 41 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2kd1 h PRO 41 CO -0.12 0.00 -0.15 0.43 -0.23 0.00 0.00 178.00 177.93 2kd1 n SER 42 N -2.40 0.32 -0.00 1.44 7.64 -0.54 -4.84 113.62 115.24 2kd1 n SER 42 Ca 0.00 0.05 0.09 0.00 1.01 0.00 0.00 58.87 60.03 2kd1 n SER 42 Cb 0.16 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.82 0.43 0.14 -3.43 4.77 0.81 -4.65 117.00 112.25 2kd1 n LEU 43 Ca -0.02 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 2kd1 n LEU 43 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2kd1 n LEU 43 CO 0.03 0.11 0.71 1.23 -1.33 0.00 0.00 177.39 178.14 2kd1 h GLY 44 N 3.94 -0.33 2.00 -0.72 0.00 -0.96 -2.79 103.07 104.20 2kd1 h GLY 44 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2kd1 h GLY 44 CO 0.00 -0.12 0.00 3.43 0.00 0.00 0.00 176.54 179.85 2kd1 h ASN 45 N -0.45 0.00 -3.58 0.19 2.35 -1.83 -0.09 115.58 112.16 2kd1 h ASN 45 Ca -0.03 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.20 2kd1 h ASN 45 Cb 0.34 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.74 2kd1 h ASN 45 CO 0.05 0.00 0.57 -0.63 -1.65 0.00 0.00 177.43 175.78 2kd1 s ILE 46 N -3.51 3.35 0.43 2.81 1.01 -1.05 -4.88 121.20 119.35 2kd1 s ILE 46 Ca 0.03 1.20 -0.24 0.00 0.00 0.00 0.00 60.65 61.63 2kd1 s ILE 46 Cb 0.08 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 2kd1 s ILE 46 CO 0.57 0.22 1.20 -0.54 0.00 0.00 0.00 174.94 176.39 2kd1 s LYS 47 N -0.67 3.86 0.25 2.79 -0.14 -1.26 -1.83 119.74 122.75 2kd1 s LYS 47 Ca 0.51 1.89 -0.04 0.00 -1.36 0.00 0.00 55.97 56.97 2kd1 s LYS 47 Cb -0.34 -2.56 0.37 0.00 -1.68 0.00 0.00 37.83 33.62 2kd1 s LYS 47 CO 0.40 -0.50 1.85 1.25 -0.76 0.00 0.00 175.35 177.59 2kd1 h LEU 48 N 2.33 0.85 -1.83 3.17 5.85 -1.66 -0.60 115.31 123.43 2kd1 h LEU 48 Ca -0.49 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 2kd1 h LEU 48 Cb 1.25 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2kd1 h LEU 48 CO 0.61 0.53 -0.14 0.00 -0.34 0.00 0.00 178.44 179.10 2kd1 h ALA 49 N 1.43 1.50 0.00 1.25 0.00 -1.82 -2.95 119.26 118.67 2kd1 h ALA 49 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kd1 h ALA 49 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kd1 h ALA 49 CO -0.19 0.18 -0.20 1.63 0.00 0.00 0.00 179.25 180.67 2kd1 n LYS 50 N -3.98 0.11 -1.55 0.00 4.76 -0.24 -4.80 118.16 112.46 2kd1 n LYS 50 Ca -0.02 0.07 -0.37 0.00 -2.87 0.00 0.00 58.31 55.12 2kd1 n LYS 50 Cb 0.23 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 2kd1 n LYS 50 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kd1 n LEU 51 N -1.79 2.38 -4.99 -0.35 4.32 -1.12 -4.97 117.00 110.50 2kd1 n LEU 51 Ca 0.06 -0.47 -0.18 0.00 -0.02 0.00 0.00 56.01 55.40 2kd1 n LEU 51 Cb 0.38 -1.59 0.01 0.00 -1.62 0.00 0.00 43.42 40.60 2kd1 n LEU 51 CO 0.31 -1.52 0.14 0.28 -1.22 0.00 0.00 177.39 175.37 2kd1 s THR 52 N 12.00 2.88 0.13 -5.08 -1.32 -1.26 -4.78 115.64 118.21 2kd1 s THR 52 Ca 0.98 -1.06 0.26 0.00 -1.21 0.00 0.00 61.69 60.66 2kd1 s THR 52 Cb -0.19 -2.94 0.27 0.00 -1.51 0.00 0.00 72.50 68.14 2kd1 s THR 52 CO 0.27 0.00 1.87 -1.28 -2.21 0.00 0.00 174.62 173.27 2kd1 h SER 53 N 0.68 0.00 -0.62 8.08 0.87 -1.93 -2.41 113.55 118.22 2kd1 h SER 53 Ca -0.40 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 2kd1 h SER 53 Cb 1.28 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 2kd1 h SER 53 CO 0.47 0.16 0.10 0.25 -0.53 0.00 0.00 176.83 177.28 2kd1 h LEU 54 N 0.00 1.01 -0.70 2.23 5.85 -1.96 -0.73 115.31 121.01 2kd1 h LEU 54 Ca -0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2kd1 h LEU 54 Cb 0.68 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2kd1 h LEU 54 CO 0.02 1.01 0.37 0.45 -0.34 0.00 0.00 178.44 179.94 2kd1 h HIS 55 N 0.99 0.98 -0.33 1.25 3.86 -1.82 -0.97 115.15 119.10 2kd1 h HIS 55 Ca 0.20 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 2kd1 h HIS 55 Cb 0.43 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2kd1 h HIS 55 CO 0.03 0.71 -0.31 0.52 0.86 0.00 0.00 177.93 179.74 2kd1 h MET 56 N 0.97 0.71 -0.04 2.45 2.86 -1.34 -0.84 114.93 119.70 2kd1 h MET 56 Ca 0.24 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kd1 h MET 56 Cb 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2kd1 h MET 56 CO -0.04 0.93 -0.01 0.37 1.06 0.00 0.00 176.91 179.22 2kd1 h GLN 57 N 0.60 0.08 0.00 1.72 5.75 -0.92 -2.21 115.11 120.13 2kd1 h GLN 57 Ca 0.07 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2kd1 h GLN 57 Cb 0.82 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2kd1 h GLN 57 CO 0.07 0.43 -0.23 -0.91 -2.65 0.00 0.00 178.83 175.54 2kd1 h ASN 58 N -0.27 0.00 0.24 -0.69 2.35 -1.17 -0.34 115.58 115.70 2kd1 h ASN 58 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 58 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2kd1 h ASN 58 CO 0.00 0.23 -0.12 0.22 -1.65 0.00 0.00 177.43 176.12 2kd1 h TYR 59 N 0.00 -0.30 -0.10 1.19 3.20 -1.04 -2.10 116.97 117.82 2kd1 h TYR 59 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2kd1 h TYR 59 Cb 0.59 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2kd1 h TYR 59 CO 0.00 -0.05 -0.33 0.28 -1.64 0.00 0.00 178.16 176.42 2kd1 h VAL 60 N -0.52 1.27 -0.62 1.81 2.07 -0.99 -1.64 116.25 117.62 2kd1 h VAL 60 Ca -0.03 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2kd1 h VAL 60 Cb 0.39 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2kd1 h VAL 60 CO 0.05 0.38 0.35 0.78 0.02 0.00 0.00 177.57 179.16 2kd1 h ASN 61 N 0.17 0.77 -0.51 0.57 2.35 -1.07 -1.95 115.58 115.91 2kd1 h ASN 61 Ca 0.02 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2kd1 h ASN 61 Cb 0.67 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2kd1 h ASN 61 CO 0.05 0.63 0.09 0.28 -1.65 0.00 0.00 177.43 176.83 2kd1 h SER 62 N 0.85 0.81 -0.85 5.81 0.02 -0.76 -2.56 113.55 116.86 2kd1 h SER 62 Ca 0.22 -0.26 0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2kd1 h SER 62 Cb 0.02 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 2kd1 h SER 62 CO -0.04 0.86 0.56 -0.07 -1.14 0.00 0.00 176.83 177.00 2kd1 h LEU 63 N 0.72 0.89 -0.30 5.07 3.38 -1.02 0.36 115.31 124.41 2kd1 h LEU 63 Ca 0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2kd1 h LEU 63 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kd1 h LEU 63 CO 0.01 0.60 0.09 -0.09 0.09 0.00 0.00 178.44 179.13 2kd1 h ARG 64 N 1.02 0.48 0.00 1.13 2.43 -1.18 -1.98 114.38 116.28 2kd1 h ARG 64 Ca 0.35 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2kd1 h ARG 64 Cb 0.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2kd1 h ARG 64 CO -0.11 0.54 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.28 2kd1 h ASP 65 N 0.33 0.00 0.94 -3.80 3.32 -0.90 -1.84 116.42 114.47 2kd1 h ASP 65 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2kd1 h ASP 65 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2kd1 h ASP 65 CO -0.00 0.17 0.00 -0.62 -1.72 0.00 0.00 179.24 177.07 2kd1 n GLU 66 N -3.44 0.09 -1.47 3.56 -0.58 0.03 -4.91 120.64 113.92 2kd1 n GLU 66 Ca -0.01 0.18 -0.04 0.00 -0.42 0.00 0.00 57.16 56.88 2kd1 n GLU 66 Cb 0.35 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 2kd1 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kd1 n GLY 67 N 0.84 0.49 3.73 0.62 0.00 -0.69 -5.02 105.19 105.16 2kd1 n GLY 67 Ca 0.05 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.90 4.44 0.68 0.99 1.43 -0.76 -5.04 118.68 119.51 2kd1 s LEU 68 Ca 0.00 2.04 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 2kd1 s LEU 68 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.64 2kd1 s LEU 68 CO 0.00 -0.32 1.09 -1.59 0.23 0.00 0.00 176.35 175.77 2kd1 s LYS 69 N 0.22 2.75 0.60 1.70 -2.85 -1.26 -4.68 119.74 116.21 2kd1 s LYS 69 Ca 0.53 1.25 0.32 0.00 -1.00 0.00 0.00 55.97 57.07 2kd1 s LYS 69 Cb -0.29 -1.95 1.88 0.00 -2.06 0.00 0.00 37.83 35.41 2kd1 s LYS 69 CO 0.33 -1.27 2.25 0.07 0.10 0.00 0.00 175.35 176.83 2kd1 h ARG 70 N -0.30 0.00 0.15 1.78 0.11 -1.96 -1.00 114.38 113.17 2kd1 h ARG 70 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 2kd1 h ARG 70 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2kd1 h ARG 70 CO 0.54 0.01 -0.07 0.78 0.10 0.00 0.00 179.97 181.33 2kd1 h GLY 71 N 0.12 -0.21 0.99 0.08 0.00 -1.96 0.10 103.07 102.20 2kd1 h GLY 71 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2kd1 h GLY 71 CO 0.00 -0.08 0.31 -0.84 0.00 0.00 0.00 176.54 175.94 2kd1 h THR 72 N -0.22 1.15 -0.71 4.70 2.02 -1.59 -2.92 112.91 115.34 2kd1 h THR 72 Ca -0.02 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2kd1 h THR 72 Cb 0.17 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2kd1 h THR 72 CO 0.03 0.15 0.30 0.40 0.37 0.00 0.00 175.52 176.77 2kd1 h ILE 73 N 0.69 1.24 0.33 3.11 2.04 -1.25 -3.10 117.51 120.56 2kd1 h ILE 73 Ca 0.18 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2kd1 h ILE 73 Cb -0.02 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2kd1 h ILE 73 CO -0.04 0.30 -0.16 -0.08 0.00 0.00 0.00 178.15 178.18 2kd1 h GLU 74 N 1.01 -0.42 -0.19 2.37 4.81 -0.61 -2.00 114.58 119.56 2kd1 h GLU 74 Ca 0.24 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2kd1 h GLU 74 Cb 0.19 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2kd1 h GLU 74 CO -0.02 -0.24 0.11 0.87 -0.73 0.00 0.00 179.01 179.00 2kd1 h LYS 75 N -0.50 0.23 -0.04 1.92 1.57 -1.55 -0.44 116.57 117.75 2kd1 h LYS 75 Ca -0.04 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2kd1 h LYS 75 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2kd1 h LYS 75 CO 0.07 0.15 -0.46 -0.84 -0.57 0.00 0.00 179.45 177.80 2kd1 h ILE 76 N 0.24 1.34 -0.30 1.86 3.07 -1.52 -1.15 117.51 121.04 2kd1 h ILE 76 Ca 0.07 -1.62 -0.12 0.00 1.55 0.00 0.00 64.86 64.74 2kd1 h ILE 76 Cb -0.02 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 2kd1 h ILE 76 CO -0.02 0.47 -0.26 0.40 -1.05 0.00 0.00 178.15 177.68 2kd1 h ILE 77 N 0.08 1.30 -0.26 0.16 1.08 -0.99 -2.86 117.51 116.02 2kd1 h ILE 77 Ca 0.00 -1.42 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 2kd1 h ILE 77 Cb 0.85 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 2kd1 h ILE 77 CO 0.07 0.46 -0.06 0.11 -0.69 0.00 0.00 178.15 178.03 2kd1 h LYS 78 N 0.45 0.41 -0.52 2.37 1.79 -0.42 0.04 116.57 120.70 2kd1 h LYS 78 Ca 0.05 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 2kd1 h LYS 78 Cb 0.83 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 2kd1 h LYS 78 CO 0.07 0.48 0.09 0.28 -1.08 0.00 0.00 179.45 179.29 2kd1 h VAL 79 N 0.39 1.25 -0.50 0.50 2.07 -1.25 -1.28 116.25 117.43 2kd1 h VAL 79 Ca 0.08 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 2kd1 h VAL 79 Cb 0.35 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2kd1 h VAL 79 CO 0.02 0.34 -0.14 0.40 0.02 0.00 0.00 177.57 178.20 2kd1 h ILE 80 N 0.73 1.27 -0.64 4.57 2.04 -1.12 -1.38 117.51 122.98 2kd1 h ILE 80 Ca 0.16 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 2kd1 h ILE 80 Cb 0.40 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2kd1 h ILE 80 CO 0.01 0.45 0.23 0.03 0.00 0.00 0.00 178.15 178.87 2kd1 h ARG 81 N 0.84 0.96 -0.24 2.37 3.08 -0.91 -1.61 114.38 118.88 2kd1 h ARG 81 Ca 0.13 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 2kd1 h ARG 81 Cb 0.69 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2kd1 h ARG 81 CO 0.05 0.83 -0.59 -0.97 -1.07 0.00 0.00 179.97 178.22 2kd1 h ASN 82 N 0.90 0.88 -0.36 7.04 -0.00 -1.11 -2.46 115.58 120.47 2kd1 h ASN 82 Ca 0.21 -0.49 -0.08 0.00 -0.00 0.00 0.00 56.30 55.93 2kd1 h ASN 82 Cb 0.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 2kd1 h ASN 82 CO -0.01 1.27 -0.11 0.77 -0.00 0.00 0.00 177.43 179.36 2kd1 h SER 83 N 0.59 0.72 0.53 1.15 4.64 -1.17 -2.96 113.55 117.04 2kd1 h SER 83 Ca 0.00 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 2kd1 h SER 83 Cb 1.19 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2kd1 h SER 83 CO 0.12 0.93 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.54 2kd1 h LEU 84 N 0.50 0.00 -1.12 5.97 3.38 -1.31 -1.10 115.31 121.63 2kd1 h LEU 84 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kd1 h LEU 84 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2kd1 h LEU 84 CO 0.04 0.41 0.42 -0.33 0.09 0.00 0.00 178.44 179.06 2kd1 h GLU 85 N 0.00 1.03 -0.02 1.13 4.39 -1.35 -1.32 114.58 118.44 2kd1 h GLU 85 Ca -0.00 -0.11 -0.19 0.00 0.34 0.00 0.00 59.36 59.40 2kd1 h GLU 85 Cb 0.78 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kd1 h GLU 85 CO 0.05 0.74 -0.81 1.25 -1.16 0.00 0.00 179.01 179.09 2kd1 h HIS 86 N 1.04 0.34 -0.23 4.33 2.76 -1.24 -2.79 115.15 119.36 2kd1 h HIS 86 Ca 0.27 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 2kd1 h HIS 86 Cb 0.01 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 2kd1 h HIS 86 CO 0.01 0.95 -0.26 0.00 -1.30 0.00 0.00 177.93 177.32 2kd1 h ALA 87 N 1.00 1.12 -0.62 5.26 0.00 -0.91 0.03 119.26 125.14 2kd1 h ALA 87 Ca -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2kd1 h ALA 87 Cb 1.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2kd1 h ALA 87 CO 0.13 0.55 0.32 0.82 0.00 0.00 0.00 179.25 181.06 2kd1 h ILE 88 N 0.40 1.21 0.00 0.00 2.04 -1.20 0.09 117.51 120.05 2kd1 h ILE 88 Ca 0.06 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 2kd1 h ILE 88 Cb 0.66 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2kd1 h ILE 88 CO 0.05 0.24 -0.01 -0.78 0.00 0.00 0.00 178.15 177.64 2kd1 h ASP 89 N 0.85 0.00 -0.21 1.72 3.58 -1.13 -1.85 116.42 119.37 2kd1 h ASP 89 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2kd1 h ASP 89 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kd1 h ASP 89 CO -0.03 0.01 0.00 0.18 -2.88 0.00 0.00 179.24 176.52 2kd1 n LEU 90 N -3.11 2.05 -0.98 2.28 4.77 -0.06 -4.95 117.00 117.01 2kd1 n LEU 90 Ca 0.02 -0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 55.01 2kd1 n LEU 90 Cb 0.40 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2kd1 n LEU 90 CO 0.30 0.43 -0.12 -0.62 -1.33 0.00 0.00 177.39 176.05 2kd1 n GLU 91 N 0.58 -1.32 0.09 3.23 1.02 -0.70 -4.87 120.64 118.68 2kd1 n GLU 91 Ca 0.17 0.93 -0.14 0.00 -0.02 0.00 0.00 57.16 58.10 2kd1 n GLU 91 Cb 0.39 -5.16 -0.11 0.00 -0.02 0.00 0.00 31.44 26.54 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 0.38 -8.24 -4.62 3.38 -1.21 -3.46 115.31 101.54 2kd1 h LEU 92 Ca -0.26 -0.38 -0.30 0.00 0.09 0.00 0.00 57.88 57.03 2kd1 h LEU 92 Cb 1.05 -0.12 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 2kd1 h LEU 92 CO 0.38 1.26 -0.74 0.27 0.09 0.00 0.00 178.44 179.70 2kd1 s ILE 93 N -2.81 0.67 0.04 1.22 -4.36 -1.10 -4.59 121.20 110.28 2kd1 s ILE 93 Ca -0.04 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.05 2kd1 s ILE 93 Cb 0.08 -0.77 -0.33 0.00 1.25 0.00 0.00 42.46 42.69 2kd1 s ILE 93 CO 0.87 -0.37 1.05 0.71 0.24 0.00 0.00 174.94 177.43 2kd1 h THR 94 N 4.37 1.33 -4.00 8.37 1.35 -1.90 -3.34 112.91 119.08 2kd1 h THR 94 Ca -0.37 -2.74 -0.18 0.00 -0.55 0.00 0.00 66.41 62.58 2kd1 h THR 94 Cb 1.20 2.97 -0.20 0.00 -1.73 0.00 0.00 68.15 70.39 2kd1 h THR 94 CO 0.42 0.82 -0.70 -0.75 -0.25 0.00 0.00 175.52 175.05 2kd1 s LYS 95 N -2.67 0.37 -0.42 4.72 2.20 -1.26 -4.96 119.74 117.72 2kd1 s LYS 95 Ca -0.08 -0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 54.61 2kd1 s LYS 95 Cb 0.05 0.07 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2kd1 s LYS 95 CO 0.93 -0.04 0.69 1.21 -0.36 0.00 0.00 175.35 177.77 2kd1 s ASN 96 N -1.65 6.39 0.27 1.43 2.47 -1.26 -4.93 114.94 117.66 2kd1 s ASN 96 Ca -0.12 -0.11 0.26 0.00 0.42 0.00 0.00 52.86 53.30 2kd1 s ASN 96 Cb -0.08 -2.34 0.76 0.00 -1.45 0.00 0.00 41.25 38.14 2kd1 s ASN 96 CO -0.02 -0.76 1.74 -0.37 -3.72 0.00 0.00 177.10 173.97 2kd1 h VAL 97 N 5.84 0.00 0.00 -5.21 -1.51 -1.94 -3.03 116.25 110.41 2kd1 h VAL 97 Ca -0.25 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2kd1 h VAL 97 Cb 1.10 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2kd1 h VAL 97 CO 0.90 0.00 -0.40 0.00 -1.23 0.00 0.00 177.57 176.83 2kd1 n ALA 98 N -1.86 2.69 0.13 5.19 0.00 -1.26 -3.28 120.51 122.13 2kd1 n ALA 98 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2kd1 n ALA 98 Cb 0.42 -1.28 0.46 0.00 0.00 0.00 0.00 19.45 19.06 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 2.51 1.67 0.00 0.00 0.00 -1.88 -2.20 119.26 119.36 2kd1 h ALA 99 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kd1 h ALA 99 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kd1 h ALA 99 CO 0.00 0.25 -0.12 0.87 0.00 0.00 0.00 179.25 180.24 2kd1 h LYS 100 N 0.23 0.00 -6.28 0.00 1.79 -1.71 -3.43 116.57 107.17 2kd1 h LYS 100 Ca 0.05 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.99 2kd1 h LYS 100 Cb 0.20 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.77 2kd1 h LYS 100 CO 0.01 0.12 1.14 0.99 -1.08 0.00 0.00 179.45 180.63 2kd1 s THR 101 N -3.30 3.70 0.62 -0.16 2.01 -0.83 -5.01 115.64 112.68 2kd1 s THR 101 Ca 0.05 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 2kd1 s THR 101 Cb 0.07 -4.81 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 2kd1 s THR 101 CO 0.66 -1.74 1.02 -1.59 -0.69 0.00 0.00 174.62 172.27 2kd1 s LYS 102 N 5.83 3.41 -0.01 4.92 0.00 -1.26 -5.01 119.74 127.62 2kd1 s LYS 102 Ca 0.41 0.61 -0.28 0.00 0.00 0.00 0.00 55.97 56.71 2kd1 s LYS 102 Cb -0.08 -2.10 -0.03 0.00 0.00 0.00 0.00 37.83 35.62 2kd1 s LYS 102 CO 0.12 -0.64 0.89 -1.17 0.00 0.00 0.00 175.35 174.55 2kd1 s LEU 103 N -5.17 4.37 -0.31 2.77 2.96 -1.26 -5.02 118.68 117.02 2kd1 s LEU 103 Ca 0.55 1.52 -0.37 0.00 -0.22 0.00 0.00 54.13 55.60 2kd1 s LEU 103 Cb -0.11 -3.41 -0.13 0.00 0.50 0.00 0.00 46.19 43.04 2kd1 s LEU 103 CO 0.52 -0.19 2.02 -2.65 -1.32 0.00 0.00 176.35 174.73 2kd1 n PRO 104 N 3.75 1.15 -2.18 0.98 -0.02 -1.26 -4.89 135.00 132.52 2kd1 n PRO 104 Ca 0.03 0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 2kd1 n PRO 104 Cb 0.51 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kd1 s LYS 105 N 5.15 2.79 -0.11 -0.52 1.02 -1.26 -4.76 119.74 122.06 2kd1 s LYS 105 Ca 1.05 0.20 0.07 0.00 0.02 0.00 0.00 55.97 57.31 2kd1 s LYS 105 Cb -0.95 -4.49 -0.12 0.00 -0.52 0.00 0.00 37.83 31.75 2kd1 s LYS 105 CO 0.56 -2.67 0.00 0.00 -0.92 0.00 0.00 175.35 172.32 2kd1 n ALA 106 N 11.97 1.74 -3.16 5.17 0.00 -1.26 -4.99 120.51 129.97 2kd1 n ALA 106 Ca 0.20 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 53.03 2kd1 n ALA 106 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 2kd1 n ALA 106 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kd1 s ASP 107 N -4.49 -0.85 -0.30 0.00 -4.77 -1.26 -5.15 116.67 99.85 2kd1 s ASP 107 Ca -0.08 0.56 -0.11 0.00 -3.30 0.00 0.00 52.55 49.62 2kd1 s ASP 107 Cb 0.03 1.72 0.18 0.00 -1.09 0.00 0.00 42.92 43.76 2kd1 s ASP 107 CO 0.39 -0.16 0.93 -0.75 0.70 0.00 0.00 175.17 176.28 2kd1 s LYS 108 N 2.90 0.30 0.43 2.11 2.47 -1.26 -5.04 119.74 121.65 2kd1 s LYS 108 Ca 0.08 0.59 0.23 0.00 -1.56 0.00 0.00 55.97 55.32 2kd1 s LYS 108 Cb -0.12 0.34 0.56 0.00 -1.46 0.00 0.00 37.83 37.15 2kd1 s LYS 108 CO -0.15 -0.27 1.68 1.05 0.16 0.00 0.00 175.35 177.81 2kd1 h GLU 109 N 7.88 0.00 -4.71 4.03 4.11 -2.03 -3.48 114.58 120.38 2kd1 h GLU 109 Ca -0.16 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.94 2kd1 h GLU 109 Cb 1.16 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.51 2kd1 h GLU 109 CO 0.03 0.14 -0.54 0.39 0.07 0.00 0.00 179.01 179.10 2kd1 n GLU 110 N -3.17 -6.05 -0.02 1.06 1.02 -1.26 -4.90 120.64 107.32 2kd1 n GLU 110 Ca 0.02 0.68 0.07 0.00 -0.02 0.00 0.00 57.16 57.92 2kd1 n GLU 110 Cb 0.52 -5.23 0.07 0.00 -0.02 0.00 0.00 31.44 26.77 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kd1 n LEU 111 N -4.01 2.28 -0.18 -4.62 4.77 -1.26 -4.24 117.00 109.75 2kd1 n LEU 111 Ca -0.01 -1.08 0.08 0.00 -0.03 0.00 0.00 56.01 54.98 2kd1 n LEU 111 Cb 0.56 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 2kd1 n LEU 111 CO 0.50 0.43 0.51 -1.84 -1.33 0.00 0.00 177.39 175.66 2kd1 n GLU 112 N 0.81 1.12 -2.27 3.23 0.00 -1.26 -5.01 120.64 117.26 2kd1 n GLU 112 Ca 0.09 -2.41 -0.35 0.00 0.00 0.00 0.00 57.16 54.48 2kd1 n GLU 112 Cb 0.37 -1.36 -0.04 0.00 0.00 0.00 0.00 31.44 30.41 2kd1 n GLU 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2kd1 s HIS 113 N -2.49 2.06 -0.06 -1.84 2.46 -1.26 -4.89 115.29 109.26 2kd1 s HIS 113 Ca 0.28 0.13 -0.29 0.00 0.47 0.00 0.00 55.06 55.66 2kd1 s HIS 113 Cb 0.25 -4.33 0.07 0.00 -0.13 0.00 0.00 32.58 28.43 2kd1 s HIS 113 CO 0.02 -1.96 0.65 -3.38 -2.47 0.00 0.00 174.74 167.59 2kd1 s HIS 114 N 7.75 -0.63 0.00 3.88 -3.43 -1.26 -5.12 115.29 116.48 2kd1 s HIS 114 Ca 0.57 1.12 0.00 0.00 -0.80 0.00 0.00 55.06 55.95 2kd1 s HIS 114 Cb -0.06 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 2kd1 s HIS 114 CO 0.03 -0.57 0.00 0.72 -2.00 0.00 0.00 174.74 172.92 2kd1 n HIS 115 N 1.09 0.00 -2.95 0.38 8.25 -1.26 -4.99 115.22 115.74 2kd1 n HIS 115 Ca -0.19 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.06 2kd1 n HIS 115 Cb 0.57 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.58 2kd1 n HIS 115 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kd1 n HIS 116 N -2.32 -1.73 -4.91 4.41 -0.00 -1.26 -5.00 115.22 104.42 2kd1 n HIS 116 Ca 0.00 0.37 -0.33 0.00 -0.00 0.00 0.00 57.72 57.77 2kd1 n HIS 116 Cb 0.00 -3.81 -0.13 0.00 -0.00 0.00 0.00 29.99 26.05 2kd1 n HIS 116 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd1 s HIS 117 N -3.03 2.69 -2.02 1.57 5.04 -1.26 -5.37 115.29 112.91 2kd1 s HIS 117 Ca 0.25 -0.22 0.32 0.00 -1.54 0.00 0.00 55.06 53.87 2kd1 s HIS 117 Cb -0.12 -1.64 1.88 0.00 0.04 0.00 0.00 32.58 32.74 2kd1 s HIS 117 CO 0.31 0.13 2.21 1.58 -2.34 0.00 0.00 174.74 176.64