#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 -1.26 -2.52 2.12 1.02 -1.26 -4.93 120.64 113.81 2kd1 n GLU 2 Ca 0.00 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 2kd1 n GLU 2 Cb 0.00 -4.01 -0.03 0.00 -0.02 0.00 0.00 31.44 27.38 2kd1 n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2kd1 s PRO 3 N -5.36 4.41 -1.41 3.49 0.04 -1.26 -4.95 135.00 129.96 2kd1 s PRO 3 Ca 0.32 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 2kd1 s PRO 3 Cb -0.12 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 30.99 2kd1 s PRO 3 CO 0.85 -0.32 2.10 -1.13 0.04 0.00 0.00 177.00 178.54 2kd1 n SER 4 N 4.66 4.18 -0.07 6.66 3.41 -1.26 -4.65 113.62 126.56 2kd1 n SER 4 Ca 0.09 -2.88 -0.07 0.00 -0.26 0.00 0.00 58.87 55.75 2kd1 n SER 4 Cb 0.47 -1.66 -0.04 0.00 -0.26 0.00 0.00 64.21 62.73 2kd1 n SER 4 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2kd1 h LYS 5 N 6.26 0.00 -6.17 4.33 1.57 -1.99 -3.47 116.57 117.11 2kd1 h LYS 5 Ca 0.53 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.74 2kd1 h LYS 5 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2kd1 h LYS 5 CO 1.78 0.27 0.92 -1.17 -0.57 0.00 0.00 179.45 180.68 2kd1 s LEU 6 N -8.24 4.16 0.28 2.94 2.96 -1.26 -4.99 118.68 114.52 2kd1 s LEU 6 Ca -0.14 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.15 2kd1 s LEU 6 Cb 0.02 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.07 2kd1 s LEU 6 CO 0.27 -0.80 1.37 -0.55 -1.32 0.00 0.00 176.35 175.32 2kd1 s SER 7 N 2.13 6.73 0.28 3.68 0.15 -1.26 -1.46 113.70 123.96 2kd1 s SER 7 Ca 0.56 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.85 2kd1 s SER 7 Cb -0.22 -2.63 0.41 0.00 -1.71 0.00 0.00 66.02 61.87 2kd1 s SER 7 CO 0.16 -0.61 1.79 0.22 1.20 0.00 0.00 173.24 175.99 2kd1 h TYR 8 N 4.40 0.74 -0.69 3.44 3.20 -1.47 -0.58 116.97 126.01 2kd1 h TYR 8 Ca -0.47 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.25 2kd1 h TYR 8 Cb 1.22 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2kd1 h TYR 8 CO 0.59 0.71 0.25 0.78 -1.64 0.00 0.00 178.16 178.84 2kd1 h GLY 9 N 0.94 1.11 1.51 1.82 0.00 -1.25 -0.16 103.07 107.04 2kd1 h GLY 9 Ca 0.13 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 2kd1 h GLY 9 CO 0.02 0.57 -0.62 0.83 0.00 0.00 0.00 176.54 177.35 2kd1 h GLU 10 N 1.01 0.50 -0.52 4.80 4.39 -1.72 -3.18 114.58 119.86 2kd1 h GLU 10 Ca 0.23 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kd1 h GLU 10 Cb 0.23 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2kd1 h GLU 10 CO -0.01 0.96 0.08 -0.92 -1.16 0.00 0.00 179.01 177.96 2kd1 h TYR 11 N 0.37 0.86 -0.11 4.33 3.20 -0.59 -2.76 116.97 122.27 2kd1 h TYR 11 Ca -0.01 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 2kd1 h TYR 11 Cb 1.17 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2kd1 h TYR 11 CO 0.05 0.75 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.07 2kd1 h LEU 12 N 0.78 0.17 -0.24 2.82 3.38 -1.02 0.33 115.31 121.54 2kd1 h LEU 12 Ca 0.16 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2kd1 h LEU 12 Cb 0.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kd1 h LEU 12 CO 0.01 0.37 -0.36 -0.33 0.09 0.00 0.00 178.44 178.22 2kd1 h GLU 13 N 0.17 0.67 -0.29 1.13 4.39 -1.51 -1.21 114.58 117.93 2kd1 h GLU 13 Ca 0.03 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 2kd1 h GLU 13 Cb 0.42 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2kd1 h GLU 13 CO 0.03 1.01 -0.06 0.77 -1.16 0.00 0.00 179.01 179.60 2kd1 h SER 14 N 0.38 0.56 -0.18 1.42 0.02 -1.19 -1.47 113.55 113.09 2kd1 h SER 14 Ca 0.02 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2kd1 h SER 14 Cb 0.94 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2kd1 h SER 14 CO 0.08 0.79 0.11 -0.25 -1.14 0.00 0.00 176.83 176.42 2kd1 h TRP 15 N 0.32 0.23 -0.28 3.45 7.01 -1.02 -2.20 115.95 123.47 2kd1 h TRP 15 Ca 0.07 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2kd1 h TRP 15 Cb 0.54 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 2kd1 h TRP 15 CO 0.05 0.18 -0.02 0.35 -2.79 0.00 0.00 178.44 176.21 2kd1 h PHE 16 N 0.22 -0.05 -0.49 2.65 3.57 -1.13 0.36 116.94 122.08 2kd1 h PHE 16 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2kd1 h PHE 16 Cb 0.01 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2kd1 h PHE 16 CO -0.06 -0.07 0.10 -0.91 -2.23 0.00 0.00 178.31 175.14 2kd1 h ASN 17 N 0.06 0.70 0.24 0.41 2.35 -1.20 0.23 115.58 118.38 2kd1 h ASN 17 Ca 0.14 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 2kd1 h ASN 17 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2kd1 h ASN 17 CO -0.24 0.71 -0.53 0.74 -1.65 0.00 0.00 177.43 176.46 2kd1 h THR 18 N 0.73 1.35 0.00 2.81 2.02 -1.00 -3.27 112.91 115.54 2kd1 h THR 18 Ca 0.16 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.54 2kd1 h THR 18 Cb 0.30 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2kd1 h THR 18 CO 0.00 0.54 0.00 0.50 0.37 0.00 0.00 175.52 176.93 2kd1 h LYS 19 N 0.25 0.00 0.00 6.66 1.63 0.85 -2.70 116.57 123.26 2kd1 h LYS 19 Ca 0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2kd1 h LYS 19 Cb 1.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2kd1 h LYS 19 CO 0.09 0.00 -0.08 0.00 -3.45 0.00 0.00 179.45 176.01 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.05 0.50 114.38 118.81 2kd1 h ARG 20 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2kd1 h ARG 20 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2kd1 h ARG 20 CO 0.00 0.08 -0.37 0.45 -1.07 0.00 0.00 179.97 179.06 2kd1 h HIS 21 N 0.00 0.00 0.11 3.04 3.86 -1.65 -3.33 115.15 117.18 2kd1 h HIS 21 Ca -0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 2kd1 h HIS 21 Cb 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2kd1 h HIS 21 CO 0.00 0.37 -1.29 1.03 0.86 0.00 0.00 177.93 178.91 2kd1 h SER 22 N 0.00 0.35 -2.18 2.45 0.87 -1.30 -3.48 113.55 110.26 2kd1 h SER 22 Ca -0.00 -0.85 -0.59 0.00 -1.23 0.00 0.00 61.79 59.11 2kd1 h SER 22 Cb 1.00 -0.12 -0.12 0.00 -0.44 0.00 0.00 62.40 62.72 2kd1 h SER 22 CO 0.05 1.56 -0.71 0.68 -0.53 0.00 0.00 176.83 177.88 2kd1 s VAL 23 N -2.46 2.80 0.77 2.23 -7.23 0.03 -5.13 120.40 111.41 2kd1 s VAL 23 Ca -0.20 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 57.64 2kd1 s VAL 23 Cb 0.04 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.52 2kd1 s VAL 23 CO 0.76 -0.37 1.13 -0.83 -0.31 0.00 0.00 175.10 175.48 2kd1 s GLY 24 N -3.58 1.91 0.36 2.32 0.00 -1.26 -4.57 107.32 102.51 2kd1 s GLY 24 Ca 0.31 0.51 0.04 0.00 0.00 0.00 0.00 44.72 45.58 2kd1 s GLY 24 CO 0.17 0.89 1.98 -2.22 0.00 0.00 0.00 173.10 173.92 2kd1 h ILE 25 N -0.86 1.15 -0.19 0.90 1.08 -1.98 1.00 117.51 118.61 2kd1 h ILE 25 Ca -0.45 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 63.56 2kd1 h ILE 25 Cb 1.25 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 2kd1 h ILE 25 CO 0.50 0.17 -0.08 0.06 -0.69 0.00 0.00 178.15 178.11 2kd1 h GLN 26 N 0.65 0.30 0.09 2.37 3.07 -2.01 -2.03 115.11 117.55 2kd1 h GLN 26 Ca 0.17 -0.06 -0.29 0.00 0.09 0.00 0.00 58.65 58.55 2kd1 h GLN 26 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2kd1 h GLN 26 CO -0.02 0.40 -1.46 1.15 0.09 0.00 0.00 178.83 178.99 2kd1 h THR 27 N 0.29 1.23 -0.52 1.86 2.02 -1.67 -3.34 112.91 112.78 2kd1 h THR 27 Ca 0.06 -2.89 -0.08 0.00 0.77 0.00 0.00 66.41 64.28 2kd1 h THR 27 Cb 0.33 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 2kd1 h THR 27 CO 0.02 0.82 0.03 0.00 0.37 0.00 0.00 175.52 176.75 2kd1 h ALA 28 N 0.60 0.69 -0.64 6.16 0.00 -0.62 -2.03 119.26 123.43 2kd1 h ALA 28 Ca -0.21 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.48 2kd1 h ALA 28 Cb 1.98 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 2kd1 h ALA 28 CO 0.15 0.48 0.42 -0.22 0.00 0.00 0.00 179.25 180.09 2kd1 h LYS 29 N 0.76 0.64 -0.20 0.00 3.11 -1.52 -1.50 116.57 117.87 2kd1 h LYS 29 Ca 0.15 -0.04 -0.13 0.00 -2.81 0.00 0.00 60.65 57.82 2kd1 h LYS 29 Cb 0.49 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2kd1 h LYS 29 CO 0.02 0.42 -0.40 0.28 -2.81 0.00 0.00 179.45 176.96 2kd1 h VAL 30 N 0.66 1.33 0.10 2.00 2.07 -1.53 -0.45 116.25 120.42 2kd1 h VAL 30 Ca 0.27 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2kd1 h VAL 30 Cb 0.23 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2kd1 h VAL 30 CO -0.08 0.51 -0.05 -0.07 0.02 0.00 0.00 177.57 177.90 2kd1 h LEU 31 N 0.30 -0.12 -0.45 2.57 3.38 -0.73 -2.05 115.31 118.22 2kd1 h LEU 31 Ca 0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2kd1 h LEU 31 Cb 1.01 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2kd1 h LEU 31 CO 0.09 0.01 -0.51 0.50 0.09 0.00 0.00 178.44 178.62 2kd1 h LYS 32 N -0.23 0.00 -0.63 1.13 3.64 -1.40 -2.04 116.57 117.04 2kd1 h LYS 32 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2kd1 h LYS 32 Cb 0.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2kd1 h LYS 32 CO 0.02 0.51 0.42 0.78 -2.27 0.00 0.00 179.45 178.91 2kd1 h GLY 33 N 2.74 0.84 1.28 5.01 0.00 -0.89 -0.96 103.07 111.09 2kd1 h GLY 33 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 47.33 46.78 2kd1 h GLY 33 CO 0.07 0.25 -1.01 -0.97 0.00 0.00 0.00 176.54 174.87 2kd1 h TYR 34 N 0.73 0.96 0.50 5.60 0.05 -1.06 -3.24 116.97 120.51 2kd1 h TYR 34 Ca 0.26 -0.52 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 2kd1 h TYR 34 Cb 0.11 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2kd1 h TYR 34 CO -0.00 1.35 -0.24 -0.07 -1.05 0.00 0.00 178.16 178.15 2kd1 h LEU 35 N 0.37 -0.57 -1.42 3.88 3.38 -0.68 -1.06 115.31 119.22 2kd1 h LEU 35 Ca -0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2kd1 h LEU 35 Cb 1.66 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2kd1 h LEU 35 CO 0.19 -0.39 -0.29 0.78 0.09 0.00 0.00 178.44 178.83 2kd1 h ASN 36 N -0.71 0.00 0.14 -0.43 -0.26 -1.38 0.81 115.58 113.74 2kd1 h ASN 36 Ca -0.07 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.39 2kd1 h ASN 36 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2kd1 h ASN 36 CO 0.11 0.29 -1.42 -1.28 -1.06 0.00 0.00 177.43 174.08 2kd1 h SER 37 N 0.00 0.46 0.00 5.81 0.87 -1.63 -3.40 113.55 115.67 2kd1 h SER 37 Ca -0.00 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 2kd1 h SER 37 Cb 0.54 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kd1 h SER 37 CO 0.04 1.63 -0.86 0.54 -0.53 0.00 0.00 176.83 177.65 2kd1 n ARG 38 N -3.87 0.48 -0.02 2.24 5.12 -0.41 -4.66 116.66 115.56 2kd1 n ARG 38 Ca -0.23 0.25 -0.16 0.00 -1.93 0.00 0.00 57.85 55.77 2kd1 n ARG 38 Cb 0.94 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.93 1.40 -0.51 0.55 5.03 -0.88 -3.34 117.51 118.82 2kd1 h ILE 39 Ca 0.00 -1.90 0.01 0.00 -0.12 0.00 0.00 64.86 62.85 2kd1 h ILE 39 Cb 0.86 2.37 -0.03 0.00 -3.03 0.00 0.00 36.82 36.99 2kd1 h ILE 39 CO 0.00 0.56 0.34 0.40 -0.68 0.00 0.00 178.15 178.77 2kd1 h ILE 40 N -0.02 1.12 -0.68 -0.67 5.03 -1.28 0.29 117.51 121.31 2kd1 h ILE 40 Ca -0.05 -0.24 0.20 0.00 -0.12 0.00 0.00 64.86 64.66 2kd1 h ILE 40 Cb 1.17 0.38 -0.03 0.00 -3.03 0.00 0.00 36.82 35.31 2kd1 h ILE 40 CO 0.10 0.13 0.60 -0.65 -0.68 0.00 0.00 178.15 177.65 2kd1 h PRO 41 N 0.69 0.00 0.00 2.37 0.11 -1.77 -2.13 132.00 131.26 2kd1 h PRO 41 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2kd1 h PRO 41 Cb -0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2kd1 h PRO 41 CO -0.05 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.19 2kd1 n SER 42 N -3.92 0.00 -0.33 -2.05 2.88 -0.52 -4.82 113.62 104.85 2kd1 n SER 42 Ca 0.14 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.80 2kd1 n SER 42 Cb 0.85 -0.33 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 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 -2.22 1.40 0.08 2.46 4.77 0.91 -4.49 117.00 119.91 2kd1 n LEU 43 Ca 0.00 -0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 2kd1 n LEU 43 Cb 0.00 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2kd1 n LEU 43 CO 0.00 0.26 0.82 1.23 -1.33 0.00 0.00 177.39 178.38 2kd1 h GLY 44 N 4.90 -0.15 1.01 -0.72 0.00 -1.20 -2.67 103.07 104.24 2kd1 h GLY 44 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2kd1 h GLY 44 CO 0.00 -0.07 -0.22 -2.01 0.00 0.00 0.00 176.54 174.24 2kd1 n ASN 45 N -5.18 0.49 -4.77 0.19 4.05 -1.26 -1.06 115.26 107.72 2kd1 n ASN 45 Ca -0.07 -0.35 -0.38 0.00 0.45 0.00 0.00 54.58 54.22 2kd1 n ASN 45 Cb 0.11 -0.03 -0.06 0.00 1.23 0.00 0.00 39.78 41.03 2kd1 n ASN 45 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2kd1 s ILE 46 N -2.71 4.19 0.38 -1.44 1.01 -1.01 -4.91 121.20 116.71 2kd1 s ILE 46 Ca 0.21 1.89 -0.23 0.00 0.00 0.00 0.00 60.65 62.52 2kd1 s ILE 46 Cb 0.19 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 2kd1 s ILE 46 CO 0.55 0.31 0.94 -0.54 0.00 0.00 0.00 174.94 176.20 2kd1 s LYS 47 N -1.66 4.36 0.19 2.79 -0.14 -1.26 -1.80 119.74 122.22 2kd1 s LYS 47 Ca 0.45 1.18 -0.12 0.00 -1.36 0.00 0.00 55.97 56.13 2kd1 s LYS 47 Cb -0.22 -2.44 0.19 0.00 -1.68 0.00 0.00 37.83 33.68 2kd1 s LYS 47 CO 0.27 0.10 1.75 1.25 -0.76 0.00 0.00 175.35 177.96 2kd1 h LEU 48 N 2.44 0.21 -1.48 3.17 5.85 -1.53 -1.14 115.31 122.84 2kd1 h LEU 48 Ca -0.48 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2kd1 h LEU 48 Cb 1.18 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2kd1 h LEU 48 CO 0.63 0.15 -0.10 0.00 -0.34 0.00 0.00 178.44 178.77 2kd1 h ALA 49 N 1.34 1.05 -0.00 1.25 0.00 -1.84 -2.85 119.26 118.20 2kd1 h ALA 49 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kd1 h ALA 49 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kd1 h ALA 49 CO -0.25 0.13 -0.21 1.63 0.00 0.00 0.00 179.25 180.55 2kd1 n LYS 50 N -3.28 0.66 -1.89 0.00 4.76 -0.46 -4.74 118.16 113.21 2kd1 n LYS 50 Ca -0.00 -0.32 -0.22 0.00 -2.87 0.00 0.00 58.31 54.90 2kd1 n LYS 50 Cb 0.33 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.56 3.01 0.60 -0.35 1.02 -1.07 -4.93 118.68 114.41 2kd1 s LEU 51 Ca 0.24 -0.65 -0.02 0.00 0.02 0.00 0.00 54.13 53.73 2kd1 s LEU 51 Cb 0.19 -2.56 0.04 0.00 0.02 0.00 0.00 46.19 43.88 2kd1 s LEU 51 CO 0.52 -3.24 0.86 0.28 0.02 0.00 0.00 176.35 174.79 2kd1 s THR 52 N 11.97 2.71 0.29 5.49 -1.32 -1.26 -4.76 115.64 128.76 2kd1 s THR 52 Ca 0.77 -0.46 0.18 0.00 -1.21 0.00 0.00 61.69 60.97 2kd1 s THR 52 Cb -0.07 -3.07 0.15 0.00 -1.51 0.00 0.00 72.50 67.99 2kd1 s THR 52 CO 0.05 -0.06 1.83 -1.28 -2.21 0.00 0.00 174.62 172.94 2kd1 h SER 53 N -0.16 0.00 -0.80 8.08 0.87 -1.92 -2.70 113.55 116.91 2kd1 h SER 53 Ca -0.43 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 2kd1 h SER 53 Cb 1.30 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 2kd1 h SER 53 CO 0.56 0.33 0.53 0.25 -0.53 0.00 0.00 176.83 177.97 2kd1 h LEU 54 N 0.00 0.82 -0.40 2.23 5.85 -1.96 -2.18 115.31 119.68 2kd1 h LEU 54 Ca -0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kd1 h LEU 54 Cb 0.71 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2kd1 h LEU 54 CO 0.04 0.56 0.18 0.45 -0.34 0.00 0.00 178.44 179.33 2kd1 h HIS 55 N 0.95 0.33 -0.35 1.25 3.86 -1.88 -2.29 115.15 117.02 2kd1 h HIS 55 Ca 0.33 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.42 2kd1 h HIS 55 Cb 0.10 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kd1 h HIS 55 CO -0.00 0.16 -0.33 0.52 0.86 0.00 0.00 177.93 179.14 2kd1 h MET 56 N 0.37 0.79 0.22 2.45 2.86 -1.52 0.35 114.93 120.45 2kd1 h MET 56 Ca 0.17 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2kd1 h MET 56 Cb 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2kd1 h MET 56 CO -0.14 1.00 -0.10 0.37 1.06 0.00 0.00 176.91 179.10 2kd1 h GLN 57 N 0.66 -0.28 0.00 1.72 5.75 -1.42 -2.20 115.11 119.34 2kd1 h GLN 57 Ca 0.07 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2kd1 h GLN 57 Cb 0.87 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 2kd1 h GLN 57 CO 0.08 -0.02 -0.20 -0.91 -2.65 0.00 0.00 178.83 175.13 2kd1 h ASN 58 N -0.52 0.00 -0.09 -0.69 2.35 -1.31 -1.43 115.58 113.88 2kd1 h ASN 58 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2kd1 h ASN 58 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2kd1 h ASN 58 CO 0.05 0.20 -0.01 0.22 -1.65 0.00 0.00 177.43 176.23 2kd1 h TYR 59 N 0.00 0.20 -0.24 1.19 3.20 -0.87 -2.12 116.97 118.32 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 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kd1 h TYR 59 CO 0.00 0.47 -0.10 0.28 -1.64 0.00 0.00 178.16 177.17 2kd1 h VAL 60 N -0.13 1.20 -0.71 1.81 2.07 -0.85 -1.72 116.25 117.92 2kd1 h VAL 60 Ca 0.03 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 2kd1 h VAL 60 Cb 0.40 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2kd1 h VAL 60 CO 0.01 0.29 0.29 0.78 0.02 0.00 0.00 177.57 178.95 2kd1 h ASN 61 N 0.37 0.97 -0.52 0.57 2.35 -1.21 -2.67 115.58 115.45 2kd1 h ASN 61 Ca 0.07 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2kd1 h ASN 61 Cb 0.42 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2kd1 h ASN 61 CO 0.02 0.87 0.21 0.28 -1.65 0.00 0.00 177.43 177.17 2kd1 h SER 62 N 1.01 0.71 -0.75 5.81 0.02 -0.74 -2.94 113.55 116.67 2kd1 h SER 62 Ca 0.24 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2kd1 h SER 62 Cb 0.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2kd1 h SER 62 CO -0.02 0.67 0.49 -0.07 -1.14 0.00 0.00 176.83 176.77 2kd1 h LEU 63 N 0.69 0.79 -0.23 5.07 3.38 -1.01 0.27 115.31 124.27 2kd1 h LEU 63 Ca 0.17 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2kd1 h LEU 63 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kd1 h LEU 63 CO -0.02 0.55 -0.49 -0.09 0.09 0.00 0.00 178.44 178.48 2kd1 h ARG 64 N 0.92 0.74 0.00 1.13 2.43 -1.45 -2.70 114.38 115.45 2kd1 h ARG 64 Ca 0.30 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2kd1 h ARG 64 Cb 0.04 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2kd1 h ARG 64 CO -0.08 1.11 0.00 -0.44 -1.51 0.00 0.00 179.97 179.05 2kd1 h ASP 65 N 0.47 0.00 1.34 -3.80 5.19 -1.18 -1.94 116.42 116.49 2kd1 h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kd1 h ASP 65 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2kd1 h ASP 65 CO 0.11 0.00 0.00 -0.33 -3.12 0.00 0.00 179.24 175.90 2kd1 h GLU 66 N 0.00 0.00 -0.04 3.56 4.39 -0.36 -3.47 114.58 118.66 2kd1 h GLU 66 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kd1 h GLU 66 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2kd1 h GLU 66 CO 0.00 0.00 -0.02 0.41 -1.16 0.00 0.00 179.01 178.24 2kd1 n GLY 67 N 0.69 0.48 3.77 -3.84 0.00 -0.73 -5.02 105.19 100.53 2kd1 n GLY 67 Ca 0.03 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.20 4.40 0.74 0.99 1.43 -1.03 -5.02 118.68 119.99 2kd1 s LEU 68 Ca 0.00 2.67 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 2kd1 s LEU 68 Cb 0.00 -3.68 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2kd1 s LEU 68 CO 0.00 -0.56 1.07 -1.59 0.23 0.00 0.00 176.35 175.51 2kd1 s LYS 69 N -1.84 2.56 0.42 1.70 -2.85 -1.26 -4.81 119.74 113.66 2kd1 s LYS 69 Ca 0.50 0.88 0.13 0.00 -1.00 0.00 0.00 55.97 56.47 2kd1 s LYS 69 Cb -0.39 -1.95 0.99 0.00 -2.06 0.00 0.00 37.83 34.41 2kd1 s LYS 69 CO 0.52 -1.35 1.98 0.07 0.10 0.00 0.00 175.35 176.67 2kd1 h ARG 70 N -0.90 0.44 0.03 1.78 0.11 -1.96 -1.55 114.38 112.34 2kd1 h ARG 70 Ca -0.45 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kd1 h ARG 70 Cb 1.23 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2kd1 h ARG 70 CO 0.57 0.29 -0.02 0.78 0.10 0.00 0.00 179.97 181.70 2kd1 h GLY 71 N 0.46 -0.05 0.97 0.08 0.00 -1.99 -0.80 103.07 101.75 2kd1 h GLY 71 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2kd1 h GLY 71 CO -0.08 -0.02 0.00 -0.84 0.00 0.00 0.00 176.54 175.61 2kd1 h THR 72 N -0.17 0.99 -0.52 4.70 2.02 -1.74 -1.31 112.91 116.88 2kd1 h THR 72 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2kd1 h THR 72 Cb 0.16 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2kd1 h THR 72 CO 0.01 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.59 2kd1 h ILE 73 N 0.01 1.17 -0.36 3.11 2.04 -1.33 -1.59 117.51 120.58 2kd1 h ILE 73 Ca 0.01 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2kd1 h ILE 73 Cb 0.01 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2kd1 h ILE 73 CO -0.01 0.18 0.09 -0.08 0.00 0.00 0.00 178.15 178.33 2kd1 h GLU 74 N 0.69 0.57 -0.50 2.37 4.81 -1.03 -1.76 114.58 119.72 2kd1 h GLU 74 Ca 0.18 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2kd1 h GLU 74 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2kd1 h GLU 74 CO -0.03 0.61 -0.10 0.87 -0.73 0.00 0.00 179.01 179.63 2kd1 h LYS 75 N 0.42 0.92 -0.08 1.92 1.57 -1.05 -1.00 116.57 119.28 2kd1 h LYS 75 Ca 0.11 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 2kd1 h LYS 75 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2kd1 h LYS 75 CO 0.00 0.97 -0.61 -0.84 -0.57 0.00 0.00 179.45 178.40 2kd1 h ILE 76 N 0.83 1.38 -0.82 1.86 3.07 -1.26 -2.57 117.51 120.00 2kd1 h ILE 76 Ca 0.14 -1.98 -0.02 0.00 1.55 0.00 0.00 64.86 64.54 2kd1 h ILE 76 Cb 0.62 1.99 -0.04 0.00 -0.27 0.00 0.00 36.82 39.13 2kd1 h ILE 76 CO 0.04 0.59 0.43 0.40 -1.05 0.00 0.00 178.15 178.56 2kd1 h ILE 77 N 0.21 1.24 -0.75 0.16 1.08 -0.92 -0.90 117.51 117.63 2kd1 h ILE 77 Ca -0.01 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 2kd1 h ILE 77 Cb 1.13 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 2kd1 h ILE 77 CO 0.10 0.28 0.48 0.11 -0.69 0.00 0.00 178.15 178.42 2kd1 h LYS 78 N 1.14 0.92 -0.11 2.37 1.79 -0.87 -0.69 116.57 121.12 2kd1 h LYS 78 Ca 0.29 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 2kd1 h LYS 78 Cb 0.05 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.49 2kd1 h LYS 78 CO -0.04 0.61 -0.07 0.28 -1.08 0.00 0.00 179.45 179.14 2kd1 h VAL 79 N 0.94 1.33 -0.24 0.50 2.07 -1.06 -1.99 116.25 117.80 2kd1 h VAL 79 Ca 0.29 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2kd1 h VAL 79 Cb -0.02 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2kd1 h VAL 79 CO -0.10 0.32 0.11 0.40 0.02 0.00 0.00 177.57 178.32 2kd1 h ILE 80 N -0.12 1.15 0.18 4.57 2.04 -1.07 -1.87 117.51 122.40 2kd1 h ILE 80 Ca 0.02 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2kd1 h ILE 80 Cb 0.54 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2kd1 h ILE 80 CO 0.02 0.15 -0.30 0.03 0.00 0.00 0.00 178.15 178.05 2kd1 h ARG 81 N 0.24 -0.53 -0.14 2.37 3.08 -1.19 -2.74 114.38 115.47 2kd1 h ARG 81 Ca 0.08 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2kd1 h ARG 81 Cb 0.15 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kd1 h ARG 81 CO -0.01 -0.36 -0.04 -0.97 -1.07 0.00 0.00 179.97 177.53 2kd1 h ASN 82 N -0.56 0.19 -0.27 7.04 -0.73 -1.19 0.22 115.58 120.28 2kd1 h ASN 82 Ca 0.02 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 2kd1 h ASN 82 Cb 0.56 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 2kd1 h ASN 82 CO -0.14 0.26 0.13 0.28 -0.37 0.00 0.00 177.43 177.59 2kd1 h SER 83 N 0.20 0.35 1.40 1.15 0.02 -1.25 -2.45 113.55 112.97 2kd1 h SER 83 Ca 0.05 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2kd1 h SER 83 Cb 0.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2kd1 h SER 83 CO 0.01 0.38 -0.62 -0.07 -1.14 0.00 0.00 176.83 175.39 2kd1 h LEU 84 N 0.30 0.00 -0.62 5.07 3.38 -0.78 -2.54 115.31 120.12 2kd1 h LEU 84 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2kd1 h LEU 84 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2kd1 h LEU 84 CO -0.01 0.41 -0.14 -0.33 0.09 0.00 0.00 178.44 178.46 2kd1 h GLU 85 N 0.00 0.94 -0.47 1.13 4.39 -0.69 -1.59 114.58 118.29 2kd1 h GLU 85 Ca -0.03 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 2kd1 h GLU 85 Cb 1.34 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2kd1 h GLU 85 CO 0.05 1.01 0.17 1.25 -1.16 0.00 0.00 179.01 180.34 2kd1 h HIS 86 N 0.83 0.68 0.00 4.33 2.76 -1.39 -2.80 115.15 119.56 2kd1 h HIS 86 Ca 0.13 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 2kd1 h HIS 86 Cb 0.69 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 2kd1 h HIS 86 CO 0.04 0.54 -0.67 0.00 -1.30 0.00 0.00 177.93 176.54 2kd1 h ALA 87 N 1.52 0.86 -0.43 5.26 0.00 -1.00 -2.57 119.26 122.91 2kd1 h ALA 87 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2kd1 h ALA 87 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kd1 h ALA 87 CO -0.01 0.84 0.09 0.82 0.00 0.00 0.00 179.25 180.98 2kd1 h ILE 88 N 0.00 1.24 -0.77 0.00 2.04 -1.05 0.23 117.51 119.19 2kd1 h ILE 88 Ca -0.01 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2kd1 h ILE 88 Cb 1.21 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2kd1 h ILE 88 CO 0.09 0.30 0.39 -0.78 0.00 0.00 0.00 178.15 178.14 2kd1 h ASP 89 N 0.57 1.00 -0.08 1.72 3.58 -1.40 -1.92 116.42 119.89 2kd1 h ASP 89 Ca 0.13 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kd1 h ASP 89 Cb 0.35 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kd1 h ASP 89 CO 0.01 0.84 0.00 0.18 -2.88 0.00 0.00 179.24 177.38 2kd1 n LEU 90 N -4.40 1.02 -1.37 2.28 4.77 -0.98 -4.92 117.00 113.41 2kd1 n LEU 90 Ca 0.07 -0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 55.47 2kd1 n LEU 90 Cb 0.12 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2kd1 n LEU 90 CO 0.39 0.20 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.86 2kd1 n GLU 91 N -0.13 -1.20 0.17 3.23 1.02 -0.58 -4.88 120.64 118.27 2kd1 n GLU 91 Ca 0.17 1.08 0.02 0.00 -0.02 0.00 0.00 57.16 58.40 2kd1 n GLU 91 Cb 0.24 -5.32 0.27 0.00 -0.02 0.00 0.00 31.44 26.61 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 -8.21 -4.62 3.38 -0.84 -3.44 115.31 101.58 2kd1 h LEU 92 Ca -0.35 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 2kd1 h LEU 92 Cb 1.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.68 2kd1 h LEU 92 CO 0.51 0.48 -0.72 0.27 0.09 0.00 0.00 178.44 179.06 2kd1 s ILE 93 N -3.71 0.55 -0.02 1.22 -4.36 -1.16 -4.72 121.20 109.00 2kd1 s ILE 93 Ca -0.01 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2kd1 s ILE 93 Cb 0.12 -0.82 -0.26 0.00 1.25 0.00 0.00 42.46 42.76 2kd1 s ILE 93 CO 0.72 -0.49 0.75 0.71 0.24 0.00 0.00 174.94 176.88 2kd1 h THR 94 N 4.19 1.03 -3.35 8.37 1.35 -1.91 -3.38 112.91 119.20 2kd1 h THR 94 Ca -0.36 -2.73 -0.31 0.00 -0.55 0.00 0.00 66.41 62.46 2kd1 h THR 94 Cb 1.19 2.64 -0.35 0.00 -1.73 0.00 0.00 68.15 69.90 2kd1 h THR 94 CO 0.46 0.76 -0.69 -0.75 -0.25 0.00 0.00 175.52 175.04 2kd1 s LYS 95 N -2.61 -0.02 -0.45 4.72 2.20 -1.26 -5.04 119.74 117.28 2kd1 s LYS 95 Ca -0.10 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2kd1 s LYS 95 Cb 0.07 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.11 2kd1 s LYS 95 CO 0.83 -0.23 1.19 1.21 -0.36 0.00 0.00 175.35 177.99 2kd1 s ASN 96 N 1.55 6.60 0.31 1.43 2.47 -1.26 -4.90 114.94 121.14 2kd1 s ASN 96 Ca -0.04 0.59 0.26 0.00 0.42 0.00 0.00 52.86 54.09 2kd1 s ASN 96 Cb -0.12 -2.55 0.99 0.00 -1.45 0.00 0.00 41.25 38.12 2kd1 s ASN 96 CO -0.04 -1.25 1.77 -0.37 -3.72 0.00 0.00 177.10 173.48 2kd1 h VAL 97 N 6.23 0.00 0.00 -5.21 -1.51 -1.94 -2.85 116.25 110.97 2kd1 h VAL 97 Ca -0.24 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2kd1 h VAL 97 Cb 1.07 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2kd1 h VAL 97 CO 1.11 0.00 -0.84 0.00 -1.23 0.00 0.00 177.57 176.62 2kd1 n ALA 98 N -1.84 3.08 -0.26 5.19 0.00 -1.26 -3.94 120.51 121.48 2kd1 n ALA 98 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 2kd1 n ALA 98 Cb 0.29 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 2.48 0.93 0.00 0.00 0.00 -1.86 -1.62 119.26 119.18 2kd1 h ALA 99 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kd1 h ALA 99 Cb 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kd1 h ALA 99 CO 0.00 0.47 -0.07 0.87 0.00 0.00 0.00 179.25 180.52 2kd1 h LYS 100 N 1.00 0.00 -6.39 0.00 1.79 -1.74 -3.43 116.57 107.80 2kd1 h LYS 100 Ca 0.25 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.18 2kd1 h LYS 100 Cb 0.09 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.67 2kd1 h LYS 100 CO -0.03 0.00 1.07 0.99 -1.08 0.00 0.00 179.45 180.40 2kd1 s THR 101 N -3.12 3.77 0.42 -0.16 2.01 -0.61 -4.99 115.64 112.96 2kd1 s THR 101 Ca 0.10 0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.73 2kd1 s THR 101 Cb 0.12 -4.72 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 2kd1 s THR 101 CO 0.62 -1.55 0.37 -0.54 -0.69 0.00 0.00 174.62 172.83 2kd1 s LYS 102 N 5.61 2.51 0.03 4.92 -0.14 -1.26 -4.94 119.74 126.47 2kd1 s LYS 102 Ca 0.42 -1.56 -0.30 0.00 -1.36 0.00 0.00 55.97 53.17 2kd1 s LYS 102 Cb -0.09 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.63 2kd1 s LYS 102 CO 0.20 -0.21 1.80 -1.17 -0.76 0.00 0.00 175.35 175.21 2kd1 s LEU 103 N -4.13 4.38 0.21 3.17 2.96 -1.26 -4.98 118.68 119.04 2kd1 s LEU 103 Ca 0.48 2.53 -0.32 0.00 -0.22 0.00 0.00 54.13 56.60 2kd1 s LEU 103 Cb -0.03 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 2kd1 s LEU 103 CO 0.28 -0.98 1.71 -2.16 -1.32 0.00 0.00 176.35 173.88 2kd1 s PRO 104 N 3.72 4.12 -0.22 0.98 0.04 -1.26 -4.92 135.00 137.47 2kd1 s PRO 104 Ca 0.80 2.61 -0.28 0.00 0.04 0.00 0.00 61.00 64.16 2kd1 s PRO 104 Cb -0.40 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2kd1 s PRO 104 CO 0.36 -0.75 2.00 0.15 0.04 0.00 0.00 177.00 178.80 2kd1 s LYS 105 N 1.06 3.40 0.00 4.56 1.02 -1.26 -5.00 119.74 123.52 2kd1 s LYS 105 Ca 0.74 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.63 2kd1 s LYS 105 Cb -0.50 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 32.56 2kd1 s LYS 105 CO 0.33 -1.79 0.00 0.00 -0.92 0.00 0.00 175.35 172.97 2kd1 n ALA 106 N 10.38 0.00 -2.11 5.17 0.00 -1.26 -4.89 120.51 127.79 2kd1 n ALA 106 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2kd1 n ALA 106 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2kd1 n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kd1 s ASP 107 N -1.19 5.28 -1.45 0.00 1.01 -1.26 -4.84 116.67 114.21 2kd1 s ASP 107 Ca 0.00 -1.05 -0.08 0.00 0.71 0.00 0.00 52.55 52.14 2kd1 s ASP 107 Cb 0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.39 2kd1 s ASP 107 CO 0.00 -2.68 2.61 0.29 0.21 0.00 0.00 175.17 175.60 2kd1 n LYS 108 N 8.70 4.16 -2.94 8.23 4.76 -1.26 -4.82 118.16 134.98 2kd1 n LYS 108 Ca 0.41 -2.91 -0.44 0.00 -2.87 0.00 0.00 58.31 52.50 2kd1 n LYS 108 Cb 0.47 -2.73 -0.02 0.00 -1.84 0.00 0.00 35.03 30.92 2kd1 n LYS 108 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2kd1 s GLU 109 N 0.39 3.76 -0.22 1.97 -1.05 -1.26 -4.85 118.70 117.44 2kd1 s GLU 109 Ca 0.60 -2.04 0.03 0.00 -0.15 0.00 0.00 54.97 53.42 2kd1 s GLU 109 Cb 0.18 -4.96 0.38 0.00 -0.44 0.00 0.00 34.13 29.30 2kd1 s GLU 109 CO -0.08 -1.76 1.43 -0.85 0.95 0.00 0.00 175.26 174.94 2kd1 n GLU 110 N 6.22 2.03 0.00 -4.83 -0.00 -1.26 -4.49 120.64 118.30 2kd1 n GLU 110 Ca 0.28 -1.66 0.00 0.00 -0.00 0.00 0.00 57.16 55.78 2kd1 n GLU 110 Cb 0.47 -1.71 0.00 0.00 -0.00 0.00 0.00 31.44 30.20 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2kd1 n LEU 111 N -0.22 0.37 -4.17 -1.84 4.77 -1.26 -4.39 117.00 110.26 2kd1 n LEU 111 Ca 0.28 -0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 2kd1 n LEU 111 Cb 1.05 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.85 2kd1 n LEU 111 CO 0.30 0.09 -0.13 -0.70 -1.33 0.00 0.00 177.39 175.61 2kd1 s GLU 112 N -1.60 2.25 -0.31 3.23 -6.30 -1.26 -5.02 118.70 109.68 2kd1 s GLU 112 Ca 0.00 -1.71 -0.02 0.00 -2.50 0.00 0.00 54.97 50.74 2kd1 s GLU 112 Cb 0.00 -3.67 0.11 0.00 0.00 0.00 0.00 34.13 30.56 2kd1 s GLU 112 CO 0.00 -1.05 0.14 -3.38 0.02 0.00 0.00 175.26 170.99 2kd1 s HIS 113 N 1.25 0.75 -1.17 5.30 -3.43 -1.26 -5.04 115.29 111.69 2kd1 s HIS 113 Ca 0.06 -1.25 -0.09 0.00 -0.80 0.00 0.00 55.06 52.98 2kd1 s HIS 113 Cb -0.23 -1.12 -0.14 0.00 -1.43 0.00 0.00 32.58 29.66 2kd1 s HIS 113 CO -0.02 -0.84 3.12 -2.39 -2.00 0.00 0.00 174.74 172.61 2kd1 n HIS 114 N 4.90 1.73 -3.40 0.38 1.44 -1.26 -4.72 115.22 114.29 2kd1 n HIS 114 Ca -0.02 -2.63 -0.14 0.00 -2.01 0.00 0.00 57.72 52.92 2kd1 n HIS 114 Cb 0.41 -2.23 -0.10 0.00 0.12 0.00 0.00 29.99 28.19 2kd1 n HIS 114 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kd1 s HIS 115 N 1.89 -0.59 -0.05 -1.40 3.76 -1.26 -4.98 115.29 112.66 2kd1 s HIS 115 Ca 0.68 0.30 0.31 0.00 -0.15 0.00 0.00 55.06 56.20 2kd1 s HIS 115 Cb 0.22 -0.25 1.09 0.00 1.11 0.00 0.00 32.58 34.74 2kd1 s HIS 115 CO -0.04 -0.78 1.88 0.45 -0.85 0.00 0.00 174.74 175.39 2kd1 h HIS 116 N 8.24 0.00 -3.38 1.40 3.86 -2.07 -3.41 115.15 119.78 2kd1 h HIS 116 Ca -0.16 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.56 2kd1 h HIS 116 Cb 1.13 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.25 2kd1 h HIS 116 CO 0.19 0.00 -0.80 -1.58 0.86 0.00 0.00 177.93 176.60 2kd1 s HIS 117 N -3.54 1.31 -2.00 2.45 5.65 -1.26 -5.30 115.29 112.59 2kd1 s HIS 117 Ca 0.03 -0.50 0.10 0.00 0.25 0.00 0.00 55.06 54.94 2kd1 s HIS 117 Cb 0.08 -1.01 0.62 0.00 -1.18 0.00 0.00 32.58 31.08 2kd1 s HIS 117 CO 0.58 -0.30 1.06 1.58 -0.65 0.00 0.00 174.74 177.00