#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 1.19 0.00 3.17 -1.05 -1.26 -5.13 118.70 115.62 2kd1 s GLU 2 Ca 0.00 -2.18 0.00 0.00 -0.15 0.00 0.00 54.97 52.64 2kd1 s GLU 2 Cb 0.00 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 2kd1 s GLU 2 CO 0.00 -1.30 0.00 -0.35 0.95 0.00 0.00 175.26 174.56 2kd1 n PRO 3 N 3.03 2.51 0.00 -4.83 -0.04 -1.26 -4.94 135.00 129.46 2kd1 n PRO 3 Ca 0.21 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2kd1 n PRO 3 Cb 0.41 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.46 2kd1 n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kd1 n SER 4 N 0.00 0.00 -4.56 3.54 2.88 -1.26 -4.66 113.62 109.56 2kd1 n SER 4 Ca 0.00 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.23 2kd1 n SER 4 Cb 0.00 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 2kd1 n SER 4 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kd1 s LYS 5 N -2.57 2.31 -0.30 -1.46 -0.14 -1.26 -4.74 119.74 111.57 2kd1 s LYS 5 Ca 0.22 0.10 -0.19 0.00 -1.36 0.00 0.00 55.97 54.74 2kd1 s LYS 5 Cb 0.16 -4.89 0.19 0.00 -1.68 0.00 0.00 37.83 31.61 2kd1 s LYS 5 CO 0.36 -3.56 1.28 -1.17 -0.76 0.00 0.00 175.35 171.50 2kd1 s LEU 6 N 11.22 -0.05 0.41 3.17 2.96 -1.26 -5.06 118.68 130.07 2kd1 s LEU 6 Ca 0.77 0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 54.49 2kd1 s LEU 6 Cb -0.09 1.05 -0.09 0.00 0.50 0.00 0.00 46.19 47.56 2kd1 s LEU 6 CO 0.05 -0.01 1.07 -0.44 -1.32 0.00 0.00 176.35 175.71 2kd1 s SER 7 N 2.38 6.64 0.44 3.68 0.01 -1.26 -2.10 113.70 123.49 2kd1 s SER 7 Ca -0.03 2.10 0.10 0.00 1.31 0.00 0.00 55.95 59.43 2kd1 s SER 7 Cb -0.03 -2.59 0.99 0.00 0.21 0.00 0.00 66.02 64.60 2kd1 s SER 7 CO -0.13 -0.58 2.08 0.22 0.41 0.00 0.00 173.24 175.24 2kd1 h TYR 8 N 2.42 0.32 -0.21 2.43 3.20 -1.39 -1.81 116.97 121.92 2kd1 h TYR 8 Ca -0.48 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.25 2kd1 h TYR 8 Cb 1.22 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2kd1 h TYR 8 CO 0.57 0.22 -0.45 0.78 -1.64 0.00 0.00 178.16 177.64 2kd1 h GLY 9 N 0.39 0.56 1.23 1.82 0.00 -1.06 0.14 103.07 106.14 2kd1 h GLY 9 Ca 0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 2kd1 h GLY 9 CO -0.02 0.53 -0.10 0.83 0.00 0.00 0.00 176.54 177.78 2kd1 h GLU 10 N 0.42 0.91 -0.06 4.80 4.39 -1.67 -2.71 114.58 120.65 2kd1 h GLU 10 Ca 0.03 -0.32 -0.11 0.00 0.34 0.00 0.00 59.36 59.31 2kd1 h GLU 10 Cb 0.95 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2kd1 h GLU 10 CO 0.08 0.96 -0.45 -0.92 -1.16 0.00 0.00 179.01 177.53 2kd1 h TYR 11 N 0.81 0.17 0.00 4.33 3.20 -1.02 -2.96 116.97 121.50 2kd1 h TYR 11 Ca 0.13 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2kd1 h TYR 11 Cb 0.63 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2kd1 h TYR 11 CO 0.04 0.57 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.92 2kd1 h LEU 12 N 0.12 0.00 0.12 2.82 3.38 -0.42 0.00 115.31 121.33 2kd1 h LEU 12 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kd1 h LEU 12 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2kd1 h LEU 12 CO 0.07 0.14 -0.06 -0.33 0.09 0.00 0.00 178.44 178.35 2kd1 h GLU 13 N 0.00 -0.15 -0.29 1.13 4.39 -1.39 -2.67 114.58 115.60 2kd1 h GLU 13 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2kd1 h GLU 13 Cb 0.39 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kd1 h GLU 13 CO 0.02 0.30 0.14 1.03 -1.16 0.00 0.00 179.01 179.33 2kd1 h SER 14 N -0.67 0.37 0.12 1.42 0.87 -1.42 -1.45 113.55 112.80 2kd1 h SER 14 Ca -0.02 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2kd1 h SER 14 Cb 0.52 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kd1 h SER 14 CO 0.03 0.39 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.41 2kd1 h TRP 15 N 0.33 -0.15 -0.16 2.24 7.01 -1.16 -2.97 115.95 121.09 2kd1 h TRP 15 Ca 0.10 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2kd1 h TRP 15 Cb 0.12 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 2kd1 h TRP 15 CO -0.02 -0.04 0.08 0.35 -2.79 0.00 0.00 178.44 176.02 2kd1 h PHE 16 N -0.23 0.24 -0.62 2.65 3.57 -1.30 0.12 116.94 121.37 2kd1 h PHE 16 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2kd1 h PHE 16 Cb 0.18 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2kd1 h PHE 16 CO -0.05 0.26 0.38 -0.91 -2.23 0.00 0.00 178.31 175.76 2kd1 h ASN 17 N 0.14 0.73 -0.31 0.41 2.35 -1.33 -0.44 115.58 117.14 2kd1 h ASN 17 Ca 0.06 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 2kd1 h ASN 17 Cb 0.11 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2kd1 h ASN 17 CO -0.01 0.56 -0.42 0.74 -1.65 0.00 0.00 177.43 176.66 2kd1 h THR 18 N 0.85 1.29 0.00 2.81 2.02 -1.33 -3.30 112.91 115.24 2kd1 h THR 18 Ca 0.22 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 2kd1 h THR 18 Cb -0.04 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2kd1 h THR 18 CO -0.04 0.52 -0.08 0.50 0.37 0.00 0.00 175.52 176.79 2kd1 h LYS 19 N 0.60 0.00 -0.33 6.66 1.63 0.59 -2.50 116.57 123.22 2kd1 h LYS 19 Ca 0.03 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2kd1 h LYS 19 Cb 1.01 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 2kd1 h LYS 19 CO 0.10 0.08 0.22 0.00 -3.45 0.00 0.00 179.45 176.40 2kd1 h ARG 20 N 0.00 0.22 0.00 1.90 3.08 -1.22 -0.26 114.38 118.10 2kd1 h ARG 20 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2kd1 h ARG 20 Cb 0.51 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2kd1 h ARG 20 CO 0.01 0.14 -0.14 0.45 -1.07 0.00 0.00 179.97 179.36 2kd1 h HIS 21 N 0.22 0.00 0.00 3.04 3.86 -1.66 -3.13 115.15 117.49 2kd1 h HIS 21 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2kd1 h HIS 21 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2kd1 h HIS 21 CO -0.00 0.14 -1.26 0.45 0.86 0.00 0.00 177.93 178.12 2kd1 n SER 22 N -3.35 0.62 -4.44 2.45 2.88 -0.23 -4.99 113.62 106.56 2kd1 n SER 22 Ca -0.00 -0.50 -0.21 0.00 -1.33 0.00 0.00 58.87 56.82 2kd1 n SER 22 Cb 0.35 1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 64.90 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2kd1 s VAL 23 N -3.19 1.52 0.94 2.46 -7.23 -0.48 -5.12 120.40 109.30 2kd1 s VAL 23 Ca 0.03 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.98 2kd1 s VAL 23 Cb 0.15 -2.56 0.16 0.00 0.56 0.00 0.00 36.38 34.69 2kd1 s VAL 23 CO 0.86 -0.21 1.18 -0.83 -0.31 0.00 0.00 175.10 175.78 2kd1 s GLY 24 N -3.46 1.62 0.04 2.32 0.00 -1.26 -4.80 107.32 101.78 2kd1 s GLY 24 Ca 0.31 -0.74 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 2kd1 s GLY 24 CO 0.13 -0.10 1.49 -2.22 0.00 0.00 0.00 173.10 172.40 2kd1 h ILE 25 N -1.60 0.96 -0.66 0.90 1.08 -1.99 -0.33 117.51 115.87 2kd1 h ILE 25 Ca -0.48 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 63.48 2kd1 h ILE 25 Cb 1.31 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 2kd1 h ILE 25 CO 0.54 0.10 0.09 0.06 -0.69 0.00 0.00 178.15 178.25 2kd1 h GLN 26 N -0.39 1.10 -0.65 2.37 3.07 -1.99 -2.03 115.11 116.58 2kd1 h GLN 26 Ca -0.02 -0.30 0.02 0.00 0.09 0.00 0.00 58.65 58.44 2kd1 h GLN 26 Cb 0.31 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 27.71 2kd1 h GLN 26 CO 0.03 1.01 0.41 1.15 0.09 0.00 0.00 178.83 181.52 2kd1 h THR 27 N 1.02 1.10 -0.47 1.86 2.02 -1.93 -0.58 112.91 115.93 2kd1 h THR 27 Ca 0.20 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2kd1 h THR 27 Cb 0.46 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2kd1 h THR 27 CO 0.02 0.15 0.07 0.00 0.37 0.00 0.00 175.52 176.12 2kd1 h ALA 28 N 1.27 0.63 -0.86 6.16 0.00 -0.88 -0.75 119.26 124.84 2kd1 h ALA 28 Ca 0.26 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kd1 h ALA 28 Cb -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2kd1 h ALA 28 CO -0.09 0.36 0.57 -0.22 0.00 0.00 0.00 179.25 179.87 2kd1 h LYS 29 N 0.65 1.12 -0.22 0.00 3.11 -0.92 -1.01 116.57 119.31 2kd1 h LYS 29 Ca 0.14 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.75 2kd1 h LYS 29 Cb 0.40 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2kd1 h LYS 29 CO 0.01 0.74 -0.52 0.28 -2.81 0.00 0.00 179.45 177.15 2kd1 h VAL 30 N 1.16 1.30 -0.68 2.00 2.07 -0.84 -0.67 116.25 120.58 2kd1 h VAL 30 Ca 0.32 -1.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 2kd1 h VAL 30 Cb -0.12 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2kd1 h VAL 30 CO -0.07 0.55 0.12 -0.07 0.02 0.00 0.00 177.57 178.12 2kd1 h LEU 31 N 0.46 1.08 -0.55 2.57 3.38 -0.92 -1.33 115.31 120.00 2kd1 h LEU 31 Ca -0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2kd1 h LEU 31 Cb 1.14 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2kd1 h LEU 31 CO 0.11 1.06 -0.66 0.50 0.09 0.00 0.00 178.44 179.54 2kd1 h LYS 32 N 1.06 0.00 -0.10 1.13 3.64 -1.19 -0.49 116.57 120.61 2kd1 h LYS 32 Ca 0.21 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2kd1 h LYS 32 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kd1 h LYS 32 CO 0.01 0.66 -0.16 0.78 -2.27 0.00 0.00 179.45 178.48 2kd1 h GLY 33 N 2.29 0.17 1.17 5.01 0.00 -0.67 -1.23 103.07 109.81 2kd1 h GLY 33 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 2kd1 h GLY 33 CO 0.09 0.10 -1.24 -0.97 0.00 0.00 0.00 176.54 174.51 2kd1 h TYR 34 N 0.15 0.96 0.56 5.60 0.05 -0.87 -3.21 116.97 120.21 2kd1 h TYR 34 Ca 0.03 -0.63 -0.03 0.00 0.05 0.00 0.00 58.73 58.15 2kd1 h TYR 34 Cb 0.37 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 38.05 2kd1 h TYR 34 CO 0.00 1.47 -0.27 -0.07 -1.05 0.00 0.00 178.16 178.25 2kd1 h LEU 35 N 0.18 -0.63 -1.27 3.88 3.38 -0.84 -0.18 115.31 119.82 2kd1 h LEU 35 Ca -0.20 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2kd1 h LEU 35 Cb 1.93 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.83 2kd1 h LEU 35 CO 0.24 -0.35 -0.04 0.78 0.09 0.00 0.00 178.44 179.16 2kd1 h ASN 36 N -0.91 0.42 0.00 -0.43 2.35 -1.41 0.39 115.58 115.99 2kd1 h ASN 36 Ca -0.08 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2kd1 h ASN 36 Cb 0.63 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2kd1 h ASN 36 CO 0.13 0.51 -0.19 -1.28 -1.65 0.00 0.00 177.43 174.95 2kd1 h SER 37 N 0.42 0.00 0.00 5.81 0.87 -1.56 -3.41 113.55 115.69 2kd1 h SER 37 Ca 0.09 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2kd1 h SER 37 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2kd1 h SER 37 CO 0.01 0.95 -0.32 0.54 -0.53 0.00 0.00 176.83 177.48 2kd1 n ARG 38 N -4.62 0.18 -0.12 2.24 5.12 -0.09 -4.61 116.66 114.76 2kd1 n ARG 38 Ca -0.11 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 2kd1 n ARG 38 Cb 0.40 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.80 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 -0.35 1.28 0.15 0.55 5.03 -1.29 -2.80 117.51 120.09 2kd1 h ILE 39 Ca 0.00 -1.24 -0.01 0.00 -0.12 0.00 0.00 64.86 63.50 2kd1 h ILE 39 Cb 0.32 1.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 2kd1 h ILE 39 CO 0.00 0.40 -0.07 0.40 -0.68 0.00 0.00 178.15 178.20 2kd1 h ILE 40 N 0.49 0.98 0.00 -0.67 2.04 -1.21 0.29 117.51 119.43 2kd1 h ILE 40 Ca 0.08 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2kd1 h ILE 40 Cb 0.66 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2kd1 h ILE 40 CO 0.04 0.15 -0.03 -0.65 0.00 0.00 0.00 178.15 177.67 2kd1 h PRO 41 N -0.53 0.00 0.00 2.37 0.11 -1.79 -0.04 132.00 132.12 2kd1 h PRO 41 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2kd1 h PRO 41 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2kd1 h PRO 41 CO 0.03 0.03 0.00 0.45 -0.21 0.00 0.00 178.00 178.30 2kd1 n SER 42 N -4.16 0.00 -0.00 -2.05 2.88 -1.06 -4.74 113.62 104.49 2kd1 n SER 42 Ca -0.03 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 57.82 2kd1 n SER 42 Cb 0.12 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.13 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kd1 n LEU 43 N -1.80 0.28 0.08 2.46 4.77 0.72 -4.57 117.00 118.95 2kd1 n LEU 43 Ca 0.00 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 2kd1 n LEU 43 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2kd1 n LEU 43 CO 0.00 0.07 0.09 1.23 -1.33 0.00 0.00 177.39 177.45 2kd1 h GLY 44 N 2.45 0.39 2.00 -0.72 0.00 -0.18 -2.88 103.07 104.14 2kd1 h GLY 44 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2kd1 h GLY 44 CO 0.00 0.69 0.00 3.43 0.00 0.00 0.00 176.54 180.66 2kd1 h ASN 45 N 0.16 0.00 -3.64 0.19 -0.26 -1.27 0.67 115.58 111.43 2kd1 h ASN 45 Ca -0.10 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.13 2kd1 h ASN 45 Cb 1.73 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.96 2kd1 h ASN 45 CO 0.18 0.00 0.07 -0.63 -1.06 0.00 0.00 177.43 175.99 2kd1 s ILE 46 N -3.57 4.69 0.61 2.81 1.01 -1.09 -4.94 121.20 120.73 2kd1 s ILE 46 Ca 0.02 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.45 2kd1 s ILE 46 Cb 0.09 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2kd1 s ILE 46 CO 0.47 -0.06 1.18 -0.54 0.00 0.00 0.00 174.94 175.99 2kd1 s LYS 47 N -2.68 2.93 0.14 2.79 -0.14 -1.26 -1.79 119.74 119.73 2kd1 s LYS 47 Ca 0.50 1.73 -0.21 0.00 -1.36 0.00 0.00 55.97 56.63 2kd1 s LYS 47 Cb -0.12 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 2kd1 s LYS 47 CO 0.19 -1.22 1.67 1.25 -0.76 0.00 0.00 175.35 176.48 2kd1 h LEU 48 N 0.71 -0.42 -0.77 3.17 5.85 -1.68 -2.19 115.31 120.00 2kd1 h LEU 48 Ca -0.50 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2kd1 h LEU 48 Cb 1.29 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2kd1 h LEU 48 CO 0.55 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 2kd1 h ALA 49 N 1.02 1.00 0.00 1.25 0.00 -1.86 -3.08 119.26 117.58 2kd1 h ALA 49 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kd1 h ALA 49 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kd1 h ALA 49 CO -0.27 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.61 2kd1 n LYS 50 N -3.04 0.14 -1.74 0.00 4.76 -0.83 -4.59 118.16 112.86 2kd1 n LYS 50 Ca 0.02 0.18 -0.33 0.00 -2.87 0.00 0.00 58.31 55.32 2kd1 n LYS 50 Cb 0.40 -1.68 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 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 -3.86 3.27 0.61 -0.35 1.02 -1.17 -4.96 118.68 113.25 2kd1 s LEU 51 Ca 0.10 0.56 0.03 0.00 0.02 0.00 0.00 54.13 54.84 2kd1 s LEU 51 Cb 0.14 -2.52 0.08 0.00 0.02 0.00 0.00 46.19 43.91 2kd1 s LEU 51 CO 0.50 -2.88 0.85 0.28 0.02 0.00 0.00 176.35 175.12 2kd1 s THR 52 N 11.51 2.36 0.45 5.49 -1.32 -1.26 -4.63 115.64 128.24 2kd1 s THR 52 Ca 0.86 -0.75 0.14 0.00 -1.21 0.00 0.00 61.69 60.72 2kd1 s THR 52 Cb -0.14 -2.60 0.21 0.00 -1.51 0.00 0.00 72.50 68.45 2kd1 s THR 52 CO 0.19 0.00 2.02 -1.28 -2.21 0.00 0.00 174.62 173.35 2kd1 h SER 53 N -0.09 0.07 -0.98 8.08 0.87 -1.93 -1.23 113.55 118.34 2kd1 h SER 53 Ca -0.36 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2kd1 h SER 53 Cb 1.28 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.17 2kd1 h SER 53 CO 0.44 0.18 0.64 0.25 -0.53 0.00 0.00 176.83 177.80 2kd1 h LEU 54 N 0.07 1.07 -1.35 2.23 5.85 -1.96 -2.72 115.31 118.50 2kd1 h LEU 54 Ca 0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2kd1 h LEU 54 Cb 0.22 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2kd1 h LEU 54 CO 0.01 0.73 -0.06 0.45 -0.34 0.00 0.00 178.44 179.24 2kd1 h HIS 55 N 1.24 0.37 -0.44 1.25 3.86 -1.59 0.14 115.15 119.98 2kd1 h HIS 55 Ca 0.39 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.51 2kd1 h HIS 55 Cb -0.01 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2kd1 h HIS 55 CO -0.00 0.43 0.07 0.52 0.86 0.00 0.00 177.93 179.81 2kd1 h MET 56 N 0.34 0.72 -0.25 2.45 2.86 -1.44 -2.05 114.93 117.56 2kd1 h MET 56 Ca 0.07 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 2kd1 h MET 56 Cb 0.33 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2kd1 h MET 56 CO 0.01 0.75 -0.20 0.37 1.06 0.00 0.00 176.91 178.91 2kd1 h GLN 57 N 0.59 0.58 -0.87 1.72 5.75 -1.20 -2.07 115.11 119.60 2kd1 h GLN 57 Ca 0.13 -0.29 0.09 0.00 -0.15 0.00 0.00 58.65 58.44 2kd1 h GLN 57 Cb 0.37 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.85 2kd1 h GLN 57 CO 0.01 0.87 0.52 -0.91 -2.65 0.00 0.00 178.83 176.66 2kd1 h ASN 58 N 0.30 0.76 0.24 -0.69 2.35 -0.98 -0.20 115.58 117.36 2kd1 h ASN 58 Ca 0.05 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2kd1 h ASN 58 Cb 0.74 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2kd1 h ASN 58 CO 0.05 0.44 -0.11 0.22 -1.65 0.00 0.00 177.43 176.38 2kd1 h TYR 59 N 0.87 -0.30 -0.82 1.19 3.20 -1.26 -2.31 116.97 117.55 2kd1 h TYR 59 Ca 0.41 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 2kd1 h TYR 59 Cb 0.34 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2kd1 h TYR 59 CO -0.04 -0.05 0.50 0.28 -1.64 0.00 0.00 178.16 177.21 2kd1 h VAL 60 N -0.50 1.22 -0.67 1.81 2.07 -0.93 -1.72 116.25 117.53 2kd1 h VAL 60 Ca -0.03 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2kd1 h VAL 60 Cb 0.37 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2kd1 h VAL 60 CO 0.05 0.23 0.17 0.78 0.02 0.00 0.00 177.57 178.82 2kd1 h ASN 61 N 1.12 1.00 -0.48 0.57 2.35 -1.03 -2.23 115.58 116.89 2kd1 h ASN 61 Ca 0.30 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2kd1 h ASN 61 Cb -0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 2kd1 h ASN 61 CO -0.06 0.96 -0.12 0.28 -1.65 0.00 0.00 177.43 176.85 2kd1 h SER 62 N 1.01 0.96 -0.59 5.81 0.02 -0.79 -1.73 113.55 118.25 2kd1 h SER 62 Ca 0.21 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2kd1 h SER 62 Cb 0.35 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2kd1 h SER 62 CO 0.00 1.08 0.14 -0.07 -1.14 0.00 0.00 176.83 176.84 2kd1 h LEU 63 N 0.85 0.90 -0.87 5.07 3.38 -1.01 0.12 115.31 123.76 2kd1 h LEU 63 Ca 0.13 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2kd1 h LEU 63 Cb 0.67 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2kd1 h LEU 63 CO 0.05 0.90 -0.32 -0.09 0.09 0.00 0.00 178.44 179.07 2kd1 h ARG 64 N 0.86 0.46 0.00 1.13 2.43 -1.38 -1.89 114.38 115.98 2kd1 h ARG 64 Ca 0.18 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2kd1 h ARG 64 Cb 0.36 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2kd1 h ARG 64 CO 0.00 0.73 -0.71 0.22 -1.51 0.00 0.00 179.97 178.70 2kd1 h ASP 65 N 0.40 0.00 0.82 -3.80 3.58 -0.80 -2.53 116.42 114.10 2kd1 h ASP 65 Ca 0.05 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2kd1 h ASP 65 Cb 0.75 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2kd1 h ASP 65 CO 0.06 0.71 -0.19 -0.33 -2.88 0.00 0.00 179.24 176.61 2kd1 h GLU 66 N 0.00 0.00 0.00 0.28 4.39 -0.57 -3.47 114.58 115.21 2kd1 h GLU 66 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kd1 h GLU 66 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2kd1 h GLU 66 CO 0.09 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2kd1 n GLY 67 N -0.01 0.38 3.77 -3.84 0.00 -0.94 -5.04 105.19 99.50 2kd1 n GLY 67 Ca -0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 4.15 0.64 0.99 1.43 -0.75 -5.03 118.68 120.12 2kd1 s LEU 68 Ca 0.00 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 2kd1 s LEU 68 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 2kd1 s LEU 68 CO 0.00 -0.88 1.04 -1.59 0.23 0.00 0.00 176.35 175.15 2kd1 s LYS 69 N -2.36 3.30 0.41 1.70 -2.85 -1.26 -4.78 119.74 113.90 2kd1 s LYS 69 Ca 0.59 0.90 0.17 0.00 -1.00 0.00 0.00 55.97 56.63 2kd1 s LYS 69 Cb -0.36 -2.04 1.06 0.00 -2.06 0.00 0.00 37.83 34.43 2kd1 s LYS 69 CO 0.45 -0.81 1.85 0.07 0.10 0.00 0.00 175.35 177.01 2kd1 h ARG 70 N -0.32 0.42 0.14 1.78 0.11 -1.99 -1.26 114.38 113.26 2kd1 h ARG 70 Ca -0.44 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2kd1 h ARG 70 Cb 1.20 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2kd1 h ARG 70 CO 0.59 0.28 -0.07 0.78 0.10 0.00 0.00 179.97 181.65 2kd1 h GLY 71 N 0.43 -0.19 0.81 0.08 0.00 -1.99 -1.32 103.07 100.89 2kd1 h GLY 71 Ca 0.48 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.91 2kd1 h GLY 71 CO -0.20 -0.07 0.04 -0.84 0.00 0.00 0.00 176.54 175.47 2kd1 h THR 72 N -0.44 0.93 -0.41 4.70 2.02 -1.68 -1.92 112.91 116.11 2kd1 h THR 72 Ca -0.02 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.14 2kd1 h THR 72 Cb 0.35 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2kd1 h THR 72 CO 0.03 0.02 0.23 0.40 0.37 0.00 0.00 175.52 176.58 2kd1 h ILE 73 N 0.11 1.03 -0.44 3.11 2.04 -1.32 -2.22 117.51 119.82 2kd1 h ILE 73 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kd1 h ILE 73 Cb 0.07 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2kd1 h ILE 73 CO -0.10 0.09 0.28 -0.08 0.00 0.00 0.00 178.15 178.33 2kd1 h GLU 74 N 0.47 0.58 -0.23 2.37 4.81 -0.98 -2.43 114.58 119.17 2kd1 h GLU 74 Ca 0.16 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2kd1 h GLU 74 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2kd1 h GLU 74 CO -0.08 0.40 -0.04 0.87 -0.73 0.00 0.00 179.01 179.43 2kd1 h LYS 75 N 0.59 0.44 0.00 1.92 1.57 -1.15 -2.68 116.57 117.25 2kd1 h LYS 75 Ca 0.16 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2kd1 h LYS 75 Cb -0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2kd1 h LYS 75 CO -0.03 0.65 -0.21 -0.84 -0.57 0.00 0.00 179.45 178.45 2kd1 h ILE 76 N 0.18 0.46 -0.35 1.86 3.07 -1.35 -0.90 117.51 120.48 2kd1 h ILE 76 Ca 0.06 -1.18 -0.08 0.00 1.55 0.00 0.00 64.86 65.21 2kd1 h ILE 76 Cb 0.48 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2kd1 h ILE 76 CO 0.02 0.20 -0.08 0.40 -1.05 0.00 0.00 178.15 177.64 2kd1 h ILE 77 N 0.00 1.28 -0.01 0.16 1.08 -1.40 -3.00 117.51 115.61 2kd1 h ILE 77 Ca -0.00 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.28 2kd1 h ILE 77 Cb 0.83 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 2kd1 h ILE 77 CO 0.03 0.38 -0.19 0.11 -0.69 0.00 0.00 178.15 177.78 2kd1 h LYS 78 N 0.46 0.02 -0.09 2.37 1.79 -0.85 -0.60 116.57 119.67 2kd1 h LYS 78 Ca 0.09 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2kd1 h LYS 78 Cb 0.59 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2kd1 h LYS 78 CO 0.03 0.22 0.02 0.28 -1.08 0.00 0.00 179.45 178.92 2kd1 h VAL 79 N 0.02 1.20 -0.54 0.50 2.07 -1.29 -1.05 116.25 117.16 2kd1 h VAL 79 Ca 0.00 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 2kd1 h VAL 79 Cb 0.36 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2kd1 h VAL 79 CO 0.03 0.18 0.01 0.40 0.02 0.00 0.00 177.57 178.21 2kd1 h ILE 80 N -0.07 1.26 -0.15 4.57 2.04 -1.30 -1.75 117.51 122.12 2kd1 h ILE 80 Ca 0.03 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2kd1 h ILE 80 Cb 0.26 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2kd1 h ILE 80 CO 0.00 0.39 0.08 0.03 0.00 0.00 0.00 178.15 178.65 2kd1 h ARG 81 N 0.83 0.17 -0.54 2.37 3.08 -1.11 -1.23 114.38 117.95 2kd1 h ARG 81 Ca 0.16 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2kd1 h ARG 81 Cb 0.52 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2kd1 h ARG 81 CO 0.03 0.11 0.02 -0.97 -1.07 0.00 0.00 179.97 178.09 2kd1 h ASN 82 N 0.18 0.87 0.25 7.04 -0.73 -1.06 0.12 115.58 122.24 2kd1 h ASN 82 Ca 0.06 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 2kd1 h ASN 82 Cb -0.00 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2kd1 h ASN 82 CO -0.03 0.92 -0.12 0.28 -0.37 0.00 0.00 177.43 178.11 2kd1 h SER 83 N 0.84 -0.29 0.87 1.15 0.02 -1.19 -2.14 113.55 112.82 2kd1 h SER 83 Ca 0.16 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2kd1 h SER 83 Cb 0.47 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2kd1 h SER 83 CO 0.02 -0.11 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.21 2kd1 h LEU 84 N -0.45 0.00 -0.37 5.07 3.38 -0.93 -0.21 115.31 121.80 2kd1 h LEU 84 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2kd1 h LEU 84 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2kd1 h LEU 84 CO 0.06 0.32 -0.05 -0.33 0.09 0.00 0.00 178.44 178.52 2kd1 h GLU 85 N 0.00 0.69 0.00 1.13 4.39 -0.76 -2.45 114.58 117.57 2kd1 h GLU 85 Ca -0.00 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 2kd1 h GLU 85 Cb 0.84 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2kd1 h GLU 85 CO 0.04 0.82 -0.48 1.25 -1.16 0.00 0.00 179.01 179.49 2kd1 h HIS 86 N 0.49 0.00 -0.20 4.33 2.76 -0.92 -2.34 115.15 119.27 2kd1 h HIS 86 Ca 0.10 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 2kd1 h HIS 86 Cb 0.55 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2kd1 h HIS 86 CO 0.05 0.48 -0.46 0.00 -1.30 0.00 0.00 177.93 176.70 2kd1 h ALA 87 N 1.52 0.83 -0.54 5.26 0.00 -0.96 -1.06 119.26 124.30 2kd1 h ALA 87 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2kd1 h ALA 87 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2kd1 h ALA 87 CO 0.06 0.66 0.14 0.82 0.00 0.00 0.00 179.25 180.93 2kd1 h ILE 88 N 0.42 1.24 -0.87 0.00 2.04 -1.20 0.42 117.51 119.56 2kd1 h ILE 88 Ca 0.03 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2kd1 h ILE 88 Cb 0.96 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2kd1 h ILE 88 CO 0.09 0.32 0.47 -0.78 0.00 0.00 0.00 178.15 178.25 2kd1 h ASP 89 N 0.77 1.08 -0.07 1.72 3.58 -1.17 -1.43 116.42 120.90 2kd1 h ASP 89 Ca 0.17 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kd1 h ASP 89 Cb 0.33 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2kd1 h ASP 89 CO 0.00 0.87 0.00 0.18 -2.88 0.00 0.00 179.24 177.41 2kd1 n LEU 90 N -4.33 0.72 -0.94 2.28 4.77 -0.42 -4.91 117.00 114.16 2kd1 n LEU 90 Ca 0.09 -0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 2kd1 n LEU 90 Cb 0.10 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2kd1 n LEU 90 CO 0.39 0.15 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.86 2kd1 n GLU 91 N -0.31 -1.27 0.24 3.23 1.02 -0.54 -4.86 120.64 118.15 2kd1 n GLU 91 Ca 0.15 0.91 0.13 0.00 -0.02 0.00 0.00 57.16 58.33 2kd1 n GLU 91 Cb 0.18 -5.11 0.37 0.00 -0.02 0.00 0.00 31.44 26.86 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 -7.68 -4.62 3.38 -1.17 -3.43 115.31 101.79 2kd1 h LEU 92 Ca -0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 2kd1 h LEU 92 Cb 1.01 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 2kd1 h LEU 92 CO 0.37 0.05 -0.46 0.27 0.09 0.00 0.00 178.44 178.76 2kd1 s ILE 93 N -3.39 0.07 0.02 1.22 -4.36 -1.15 -4.81 121.20 108.79 2kd1 s ILE 93 Ca 0.04 -0.55 -0.19 0.00 -0.26 0.00 0.00 60.65 59.70 2kd1 s ILE 93 Cb 0.07 -0.43 -0.22 0.00 1.25 0.00 0.00 42.46 43.13 2kd1 s ILE 93 CO 0.63 -0.30 1.14 0.71 0.24 0.00 0.00 174.94 177.36 2kd1 h THR 94 N 4.30 1.40 -4.00 8.37 1.35 -1.90 -3.35 112.91 119.08 2kd1 h THR 94 Ca -0.30 -2.02 -0.17 0.00 -0.55 0.00 0.00 66.41 63.38 2kd1 h THR 94 Cb 1.19 2.47 -0.21 0.00 -1.73 0.00 0.00 68.15 69.88 2kd1 h THR 94 CO 0.40 0.60 -0.70 -0.75 -0.25 0.00 0.00 175.52 174.82 2kd1 s LYS 95 N -3.35 0.33 0.12 4.72 2.20 -1.26 -4.94 119.74 117.57 2kd1 s LYS 95 Ca -0.13 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 2kd1 s LYS 95 Cb 0.04 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2kd1 s LYS 95 CO 0.83 -0.05 -0.00 0.54 -0.36 0.00 0.00 175.35 176.30 2kd1 s ASN 96 N -1.57 4.92 0.00 1.43 2.20 -1.26 -5.02 114.94 115.65 2kd1 s ASN 96 Ca -0.14 -0.26 0.21 0.00 -0.94 0.00 0.00 52.86 51.73 2kd1 s ASN 96 Cb -0.09 -1.13 0.77 0.00 -2.00 0.00 0.00 41.25 38.81 2kd1 s ASN 96 CO -0.02 0.14 1.56 1.33 -2.94 0.00 0.00 177.10 177.18 2kd1 n VAL 97 N 0.32 0.19 0.95 3.54 0.24 -1.26 -3.95 118.33 118.36 2kd1 n VAL 97 Ca -0.11 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2kd1 n VAL 97 Cb 0.53 0.38 0.09 0.00 -1.47 0.00 0.00 33.84 33.37 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 n ALA 98 N 0.31 3.95 -0.22 2.33 0.00 -1.26 -4.35 120.51 121.27 2kd1 n ALA 98 Ca 0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 2kd1 n ALA 98 Cb 0.33 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 2.94 0.81 -0.01 0.00 0.00 -1.94 -2.18 119.26 118.89 2kd1 h ALA 99 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kd1 h ALA 99 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kd1 h ALA 99 CO 0.00 0.32 -0.18 1.63 0.00 0.00 0.00 179.25 181.02 2kd1 n LYS 100 N -4.56 0.79 -2.31 0.00 4.76 -1.26 -4.81 118.16 110.78 2kd1 n LYS 100 Ca 0.05 -0.39 -0.38 0.00 -2.87 0.00 0.00 58.31 54.72 2kd1 n LYS 100 Cb 0.08 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 2kd1 n LYS 100 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kd1 s THR 101 N -2.47 3.60 0.36 -0.18 2.01 -0.82 -4.98 115.64 113.15 2kd1 s THR 101 Ca 0.27 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.31 2kd1 s THR 101 Cb 0.20 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2kd1 s THR 101 CO 0.49 -1.43 0.45 -0.54 -0.69 0.00 0.00 174.62 172.91 2kd1 s LYS 102 N 6.21 2.96 0.19 4.92 1.02 -1.26 -4.95 119.74 128.83 2kd1 s LYS 102 Ca 0.53 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 2kd1 s LYS 102 Cb -0.08 -2.72 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 2kd1 s LYS 102 CO 0.09 -0.01 1.55 -1.17 -0.92 0.00 0.00 175.35 174.89 2kd1 s LEU 103 N -4.17 4.37 1.42 3.17 2.96 -1.26 -5.04 118.68 120.13 2kd1 s LEU 103 Ca 0.46 2.65 -0.22 0.00 -0.22 0.00 0.00 54.13 56.80 2kd1 s LEU 103 Cb -0.09 -3.60 0.37 0.00 0.50 0.00 0.00 46.19 43.37 2kd1 s LEU 103 CO 0.30 -0.81 0.92 -2.16 -1.32 0.00 0.00 176.35 173.29 2kd1 s PRO 104 N 0.74 -2.92 -0.66 0.98 0.04 -1.26 -4.80 135.00 127.12 2kd1 s PRO 104 Ca 0.68 0.23 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2kd1 s PRO 104 Cb -0.44 -1.37 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 2kd1 s PRO 104 CO 0.35 -4.89 2.46 1.63 0.04 0.00 0.00 177.00 176.59 2kd1 n LYS 105 N -5.66 0.71 -3.77 4.56 4.76 -1.26 -4.92 118.16 112.58 2kd1 n LYS 105 Ca 0.11 -0.14 -0.28 0.00 -2.87 0.00 0.00 58.31 55.14 2kd1 n LYS 105 Cb 0.59 -2.99 -0.03 0.00 -1.84 0.00 0.00 35.03 30.76 2kd1 n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kd1 s ALA 106 N 11.43 3.87 0.51 7.82 0.00 -1.26 -5.09 121.76 139.05 2kd1 s ALA 106 Ca 1.06 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2kd1 s ALA 106 Cb -0.41 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 2kd1 s ALA 106 CO 0.29 0.51 1.26 -0.51 0.00 0.00 0.00 175.76 177.32 2kd1 s ASP 107 N -3.06 5.66 0.10 0.00 1.11 -1.26 -4.98 116.67 114.23 2kd1 s ASP 107 Ca 0.37 2.53 -0.30 0.00 0.18 0.00 0.00 52.55 55.33 2kd1 s ASP 107 Cb -0.11 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.20 2kd1 s ASP 107 CO 0.28 -1.28 1.19 -0.54 1.18 0.00 0.00 175.17 176.00 2kd1 s LYS 108 N -2.85 4.46 0.57 8.23 -0.14 -1.26 -4.92 119.74 123.84 2kd1 s LYS 108 Ca 0.69 1.78 0.35 0.00 -1.36 0.00 0.00 55.97 57.43 2kd1 s LYS 108 Cb -0.34 -3.32 1.67 0.00 -1.68 0.00 0.00 37.83 34.16 2kd1 s LYS 108 CO 0.41 -0.19 2.11 0.93 -0.76 0.00 0.00 175.35 177.84 2kd1 h GLU 109 N 6.33 0.00 -1.00 1.68 4.39 -1.95 -3.47 114.58 120.57 2kd1 h GLU 109 Ca -0.42 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.01 2kd1 h GLU 109 Cb 1.21 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 2kd1 h GLU 109 CO 0.79 0.03 -0.27 0.39 -1.16 0.00 0.00 179.01 178.79 2kd1 n GLU 110 N -3.20 -0.96 0.21 2.33 1.02 -1.26 -4.89 120.64 113.88 2kd1 n GLU 110 Ca -0.01 0.88 0.05 0.00 -0.02 0.00 0.00 57.16 58.05 2kd1 n GLU 110 Cb 0.23 -4.99 0.49 0.00 -0.02 0.00 0.00 31.44 27.15 2kd1 n GLU 110 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kd1 h LEU 111 N 0.00 0.03 0.00 -4.62 3.38 -2.02 -3.44 115.31 108.64 2kd1 h LEU 111 Ca -0.29 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2kd1 h LEU 111 Cb 0.97 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2kd1 h LEU 111 CO 0.39 0.21 -0.07 -1.84 0.09 0.00 0.00 178.44 177.23 2kd1 n GLU 112 N -4.32 1.67 -3.70 1.13 -0.00 -1.26 -5.19 120.64 108.98 2kd1 n GLU 112 Ca -0.02 -0.50 -0.15 0.00 -0.00 0.00 0.00 57.16 56.49 2kd1 n GLU 112 Cb 0.25 0.16 -0.08 0.00 -0.00 0.00 0.00 31.44 31.76 2kd1 n GLU 112 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2kd1 s HIS 113 N -1.33 -0.32 -0.55 -1.84 -3.43 -1.26 -5.02 115.29 101.54 2kd1 s HIS 113 Ca 0.00 0.53 -0.27 0.00 -0.80 0.00 0.00 55.06 54.53 2kd1 s HIS 113 Cb 0.00 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 2kd1 s HIS 113 CO 0.00 -0.44 1.99 -1.01 -2.00 0.00 0.00 174.74 173.28 2kd1 s HIS 114 N -1.23 1.53 -0.25 0.38 3.76 -1.26 -4.94 115.29 113.28 2kd1 s HIS 114 Ca -0.12 0.95 -0.29 0.00 -0.15 0.00 0.00 55.06 55.45 2kd1 s HIS 114 Cb -0.04 -3.97 -0.00 0.00 1.11 0.00 0.00 32.58 29.68 2kd1 s HIS 114 CO 0.06 -2.46 1.26 -3.38 -0.85 0.00 0.00 174.74 169.37 2kd1 s HIS 115 N 9.58 2.81 -0.80 1.40 -3.43 -1.26 -4.98 115.29 118.61 2kd1 s HIS 115 Ca 0.76 0.97 -0.26 0.00 -0.80 0.00 0.00 55.06 55.74 2kd1 s HIS 115 Cb -0.15 -3.71 0.01 0.00 -1.43 0.00 0.00 32.58 27.30 2kd1 s HIS 115 CO 0.23 -1.58 1.53 -1.58 -2.00 0.00 0.00 174.74 171.34 2kd1 s HIS 116 N 3.95 2.15 -0.14 0.38 2.46 -1.26 -4.96 115.29 117.87 2kd1 s HIS 116 Ca 0.54 0.02 -0.32 0.00 0.47 0.00 0.00 55.06 55.76 2kd1 s HIS 116 Cb -0.18 -4.46 -0.10 0.00 -0.13 0.00 0.00 32.58 27.71 2kd1 s HIS 116 CO 0.18 -2.05 2.02 1.58 -2.47 0.00 0.00 174.74 174.00 2kd1 n HIS 117 N 10.56 2.17 -1.04 3.88 -0.00 -1.26 -5.33 115.22 124.20 2kd1 n HIS 117 Ca 0.19 -0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2kd1 n HIS 117 Cb 0.50 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 2kd1 n HIS 117 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38