#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 2.43 1.33 3.17 2.12 -1.26 -5.15 118.70 121.34 2kd1 s GLU 2 Ca 0.00 -0.66 -0.18 0.00 0.36 0.00 0.00 54.97 54.49 2kd1 s GLU 2 Cb 0.00 -1.93 0.34 0.00 0.26 0.00 0.00 34.13 32.80 2kd1 s GLU 2 CO 0.00 0.06 0.96 -1.25 -0.54 0.00 0.00 175.26 174.48 2kd1 s PRO 3 N 0.63 -2.25 -0.15 4.30 0.04 -1.26 -4.88 135.00 131.43 2kd1 s PRO 3 Ca -0.14 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 2kd1 s PRO 3 Cb -0.16 -1.43 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2kd1 s PRO 3 CO 0.04 -4.51 2.50 0.43 0.04 0.00 0.00 177.00 175.50 2kd1 n SER 4 N -5.43 5.79 0.11 6.66 7.64 -1.26 -4.45 113.62 122.69 2kd1 n SER 4 Ca 0.08 -2.72 0.12 0.00 1.01 0.00 0.00 58.87 57.36 2kd1 n SER 4 Cb 0.57 -1.19 0.46 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.34 0.19 -2.29 1.43 4.76 -1.26 -4.70 118.16 117.63 2kd1 n LYS 5 Ca 0.25 0.35 -0.43 0.00 -2.87 0.00 0.00 58.31 55.61 2kd1 n LYS 5 Cb 0.63 -1.82 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 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 -4.36 3.82 0.68 -0.35 2.96 -1.26 -5.03 118.68 115.14 2kd1 s LEU 6 Ca 0.06 1.28 -0.11 0.00 -0.22 0.00 0.00 54.13 55.14 2kd1 s LEU 6 Cb 0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.26 2kd1 s LEU 6 CO 0.44 -1.23 1.06 -0.44 -1.32 0.00 0.00 176.35 174.86 2kd1 s SER 7 N 3.60 5.45 0.19 3.68 0.01 -1.26 -2.54 113.70 122.83 2kd1 s SER 7 Ca 0.63 1.63 -0.08 0.00 1.31 0.00 0.00 55.95 59.44 2kd1 s SER 7 Cb -0.19 -2.50 0.09 0.00 0.21 0.00 0.00 66.02 63.64 2kd1 s SER 7 CO 0.27 -1.39 1.63 0.22 0.41 0.00 0.00 173.24 174.38 2kd1 h TYR 8 N -0.58 1.11 -0.50 2.43 3.20 -1.39 -0.23 116.97 121.01 2kd1 h TYR 8 Ca -0.44 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.16 2kd1 h TYR 8 Cb 1.21 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2kd1 h TYR 8 CO 0.62 1.02 0.08 0.78 -1.64 0.00 0.00 178.16 179.01 2kd1 h GLY 9 N 0.96 0.84 1.47 1.82 0.00 -1.63 0.07 103.07 106.61 2kd1 h GLY 9 Ca 0.15 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 2kd1 h GLY 9 CO 0.04 0.47 -0.48 0.83 0.00 0.00 0.00 176.54 177.41 2kd1 h GLU 10 N 0.75 0.57 -0.52 4.80 4.39 -1.75 -2.94 114.58 119.88 2kd1 h GLU 10 Ca 0.16 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 2kd1 h GLU 10 Cb 0.34 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2kd1 h GLU 10 CO 0.01 0.92 -0.13 -0.92 -1.16 0.00 0.00 179.01 177.73 2kd1 h TYR 11 N 0.45 1.13 0.00 4.33 3.20 -0.56 -3.01 116.97 122.52 2kd1 h TYR 11 Ca 0.02 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 2kd1 h TYR 11 Cb 1.00 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 2kd1 h TYR 11 CO 0.04 1.06 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.45 2kd1 h LEU 12 N 0.88 0.00 0.58 2.82 3.38 -0.89 0.93 115.31 123.01 2kd1 h LEU 12 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2kd1 h LEU 12 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2kd1 h LEU 12 CO 0.05 0.11 -0.28 -0.33 0.09 0.00 0.00 178.44 178.08 2kd1 h GLU 13 N 0.00 -0.75 -0.47 1.13 4.39 -1.38 -1.50 114.58 116.00 2kd1 h GLU 13 Ca -0.00 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2kd1 h GLU 13 Cb 0.21 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2kd1 h GLU 13 CO 0.01 -0.44 0.01 1.03 -1.16 0.00 0.00 179.01 178.46 2kd1 h SER 14 N -0.95 0.81 -0.16 1.42 0.87 -1.49 -2.18 113.55 111.87 2kd1 h SER 14 Ca -0.08 -0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2kd1 h SER 14 Cb 0.65 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2kd1 h SER 14 CO 0.13 0.91 0.04 -0.25 -0.53 0.00 0.00 176.83 177.13 2kd1 h TRP 15 N 0.68 0.07 -0.57 2.24 7.01 -0.90 -1.84 115.95 122.64 2kd1 h TRP 15 Ca 0.13 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.08 2kd1 h TRP 15 Cb 0.49 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 2kd1 h TRP 15 CO 0.04 0.03 0.09 0.35 -2.79 0.00 0.00 178.44 176.16 2kd1 h PHE 16 N 0.11 1.00 -0.57 2.65 3.57 -1.16 0.15 116.94 122.69 2kd1 h PHE 16 Ca 0.07 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 2kd1 h PHE 16 Cb 0.06 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2kd1 h PHE 16 CO -0.12 0.88 0.12 -0.91 -2.23 0.00 0.00 178.31 176.04 2kd1 h ASN 17 N 0.84 0.85 -0.49 0.41 2.35 -1.28 0.70 115.58 118.97 2kd1 h ASN 17 Ca 0.17 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2kd1 h ASN 17 Cb 0.41 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2kd1 h ASN 17 CO 0.01 0.84 -0.05 0.74 -1.65 0.00 0.00 177.43 177.32 2kd1 h THR 18 N 0.86 1.27 0.00 2.81 2.02 -1.08 -3.27 112.91 115.52 2kd1 h THR 18 Ca 0.18 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2kd1 h THR 18 Cb 0.34 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2kd1 h THR 18 CO 0.00 0.40 0.00 0.50 0.37 0.00 0.00 175.52 176.79 2kd1 h LYS 19 N 0.75 0.00 0.00 6.66 1.63 0.15 -2.31 116.57 123.45 2kd1 h LYS 19 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2kd1 h LYS 19 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2kd1 h LYS 19 CO 0.03 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.03 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -0.94 -0.48 114.38 117.93 2kd1 h ARG 20 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kd1 h ARG 20 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2kd1 h ARG 20 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.35 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.59 -3.27 115.15 117.19 2kd1 h HIS 21 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kd1 h HIS 21 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2kd1 h HIS 21 CO 0.00 0.00 -1.42 0.45 0.86 0.00 0.00 177.93 177.82 2kd1 n SER 22 N -2.82 1.78 -4.36 2.45 2.88 -0.44 -5.02 113.62 108.09 2kd1 n SER 22 Ca 0.02 -0.14 -0.28 0.00 -1.33 0.00 0.00 58.87 57.14 2kd1 n SER 22 Cb 0.35 1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 65.17 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 -2.78 2.12 0.85 2.46 -7.23 -0.32 -5.14 120.40 110.36 2kd1 s VAL 23 Ca -0.03 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 2kd1 s VAL 23 Cb 0.09 -1.89 0.13 0.00 0.56 0.00 0.00 36.38 35.27 2kd1 s VAL 23 CO 0.54 0.06 1.20 -0.83 -0.31 0.00 0.00 175.10 175.75 2kd1 s GLY 24 N -2.00 1.70 0.22 2.32 0.00 -1.26 -4.62 107.32 103.68 2kd1 s GLY 24 Ca 0.12 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 43.72 2kd1 s GLY 24 CO 0.05 -0.43 1.86 -2.22 0.00 0.00 0.00 173.10 172.36 2kd1 h ILE 25 N -1.19 1.23 -0.59 0.90 1.08 -1.98 0.10 117.51 117.07 2kd1 h ILE 25 Ca -0.44 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.46 2kd1 h ILE 25 Cb 1.28 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2kd1 h ILE 25 CO 0.51 0.25 0.18 0.06 -0.69 0.00 0.00 178.15 178.45 2kd1 h GLN 26 N 1.12 0.89 0.11 2.37 3.07 -2.00 -1.05 115.11 119.61 2kd1 h GLN 26 Ca 0.29 -0.17 -0.29 0.00 0.09 0.00 0.00 58.65 58.57 2kd1 h GLN 26 Cb -0.03 -0.14 0.03 0.00 0.08 0.00 0.00 27.48 27.42 2kd1 h GLN 26 CO -0.05 0.77 -1.22 1.15 0.09 0.00 0.00 178.83 179.57 2kd1 h THR 27 N 0.86 1.30 -0.56 1.86 2.02 -1.86 -3.24 112.91 113.29 2kd1 h THR 27 Ca 0.19 -2.49 -0.08 0.00 0.77 0.00 0.00 66.41 64.80 2kd1 h THR 27 Cb 0.26 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2kd1 h THR 27 CO -0.01 0.75 0.03 0.00 0.37 0.00 0.00 175.52 176.66 2kd1 h ALA 28 N 0.35 0.75 -0.89 6.16 0.00 -0.60 -2.19 119.26 122.84 2kd1 h ALA 28 Ca -0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2kd1 h ALA 28 Cb 1.89 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 2kd1 h ALA 28 CO 0.23 0.56 0.52 -0.22 0.00 0.00 0.00 179.25 180.34 2kd1 h LYS 29 N 0.86 1.21 -0.11 0.00 3.11 -1.29 -0.24 116.57 120.11 2kd1 h LYS 29 Ca 0.16 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2kd1 h LYS 29 Cb 0.51 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2kd1 h LYS 29 CO 0.02 0.86 -0.03 0.28 -2.81 0.00 0.00 179.45 177.78 2kd1 h VAL 30 N 1.23 1.29 -0.53 2.00 2.07 -1.50 -1.10 116.25 119.71 2kd1 h VAL 30 Ca 0.32 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 2kd1 h VAL 30 Cb -0.03 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2kd1 h VAL 30 CO -0.06 0.27 -0.01 -0.07 0.02 0.00 0.00 177.57 177.73 2kd1 h LEU 31 N -0.10 0.93 -0.59 2.57 3.38 -1.17 -2.67 115.31 117.65 2kd1 h LEU 31 Ca 0.03 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2kd1 h LEU 31 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kd1 h LEU 31 CO 0.01 1.01 -0.44 0.50 0.09 0.00 0.00 178.44 179.62 2kd1 h LYS 32 N 0.81 0.63 0.00 1.13 3.64 -1.08 -1.30 116.57 120.41 2kd1 h LYS 32 Ca 0.15 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2kd1 h LYS 32 Cb 0.55 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2kd1 h LYS 32 CO 0.03 0.94 -0.05 0.78 -2.27 0.00 0.00 179.45 178.89 2kd1 h GLY 33 N 1.01 0.00 1.29 5.01 0.00 -1.02 -2.10 103.07 107.25 2kd1 h GLY 33 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 2kd1 h GLY 33 CO 0.09 0.00 -1.48 -0.97 0.00 0.00 0.00 176.54 174.18 2kd1 h TYR 34 N 0.00 0.83 0.87 5.60 0.05 -1.12 -3.32 116.97 119.89 2kd1 h TYR 34 Ca -0.00 -0.61 -0.04 0.00 0.05 0.00 0.00 58.73 58.13 2kd1 h TYR 34 Cb 0.09 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 37.80 2kd1 h TYR 34 CO 0.00 1.52 -0.42 -0.07 -1.05 0.00 0.00 178.16 178.14 2kd1 h LEU 35 N 0.13 -0.99 -1.61 3.88 3.38 -0.57 0.37 115.31 119.89 2kd1 h LEU 35 Ca -0.25 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2kd1 h LEU 35 Cb 2.12 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 43.12 2kd1 h LEU 35 CO 0.25 -0.69 -0.17 -0.55 0.09 0.00 0.00 178.44 177.36 2kd1 h ASN 36 N -1.20 0.03 0.03 -0.43 7.08 -1.69 0.15 115.58 119.55 2kd1 h ASN 36 Ca -0.12 -0.01 -0.14 0.00 -3.08 0.00 0.00 56.30 52.96 2kd1 h ASN 36 Cb 0.90 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.12 2kd1 h ASN 36 CO 0.20 0.21 -0.73 -1.28 -2.08 0.00 0.00 177.43 173.75 2kd1 h SER 37 N 0.03 0.12 0.00 6.14 0.87 -1.64 -3.40 113.55 115.66 2kd1 h SER 37 Ca 0.01 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2kd1 h SER 37 Cb 0.32 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2kd1 h SER 37 CO 0.02 1.30 -0.85 0.54 -0.53 0.00 0.00 176.83 177.31 2kd1 n ARG 38 N -4.38 0.48 -0.03 2.24 5.12 0.11 -4.69 116.66 115.51 2kd1 n ARG 38 Ca -0.20 0.25 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 2kd1 n ARG 38 Cb 0.65 -1.41 -0.13 0.00 -1.16 0.00 0.00 32.46 30.42 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 1.69 -0.44 0.55 5.03 -1.31 -3.31 117.51 118.79 2kd1 h ILE 39 Ca 0.00 -2.32 0.07 0.00 -0.12 0.00 0.00 64.86 62.49 2kd1 h ILE 39 Cb 0.85 3.25 -0.06 0.00 -3.03 0.00 0.00 36.82 37.83 2kd1 h ILE 39 CO 0.00 0.62 0.09 0.40 -0.68 0.00 0.00 178.15 178.59 2kd1 h ILE 40 N -0.77 0.77 0.00 -0.67 5.03 -1.24 0.36 117.51 121.00 2kd1 h ILE 40 Ca -0.04 -0.08 -0.05 0.00 -0.12 0.00 0.00 64.86 64.58 2kd1 h ILE 40 Cb 1.15 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 35.46 2kd1 h ILE 40 CO 0.05 0.04 -0.22 1.55 -0.68 0.00 0.00 178.15 178.89 2kd1 h PRO 41 N 0.23 0.00 0.00 2.37 0.13 -1.77 -1.78 132.00 131.18 2kd1 h PRO 41 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kd1 h PRO 41 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 2kd1 h PRO 41 CO -0.28 0.22 0.00 0.45 -0.23 0.00 0.00 178.00 178.16 2kd1 n SER 42 N -3.63 0.00 0.05 1.44 2.88 -0.72 -4.62 113.62 109.01 2kd1 n SER 42 Ca -0.01 0.05 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 2kd1 n SER 42 Cb 0.34 -0.33 0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -2.06 0.64 0.00 2.46 4.77 0.11 -4.11 117.00 118.81 2kd1 n LEU 43 Ca 0.00 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 55.92 2kd1 n LEU 43 Cb 0.00 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2kd1 n LEU 43 CO 0.00 -0.04 0.21 1.23 -1.33 0.00 0.00 177.39 177.46 2kd1 h GLY 44 N 4.36 0.81 2.00 -0.72 0.00 -0.82 -2.83 103.07 105.87 2kd1 h GLY 44 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.07 2kd1 h GLY 44 CO 0.00 1.11 -0.06 3.43 0.00 0.00 0.00 176.54 181.02 2kd1 h ASN 45 N 0.43 0.00 -4.00 0.19 4.21 -1.49 -2.32 115.58 112.61 2kd1 h ASN 45 Ca -0.08 0.00 -0.45 0.00 1.21 0.00 0.00 56.30 56.98 2kd1 h ASN 45 Cb 1.49 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.67 2kd1 h ASN 45 CO 0.17 0.06 0.35 -0.63 -1.29 0.00 0.00 177.43 176.08 2kd1 s ILE 46 N -4.35 4.29 0.35 2.81 1.01 -1.07 -4.94 121.20 119.30 2kd1 s ILE 46 Ca -0.04 1.59 -0.26 0.00 0.00 0.00 0.00 60.65 61.94 2kd1 s ILE 46 Cb 0.14 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 2kd1 s ILE 46 CO 0.55 -0.15 1.09 -0.54 0.00 0.00 0.00 174.94 175.89 2kd1 s LYS 47 N -2.77 4.34 0.17 2.79 -0.14 -1.26 -1.69 119.74 121.17 2kd1 s LYS 47 Ca 0.58 1.68 -0.18 0.00 -1.36 0.00 0.00 55.97 56.69 2kd1 s LYS 47 Cb -0.13 -2.82 0.09 0.00 -1.68 0.00 0.00 37.83 33.29 2kd1 s LYS 47 CO 0.17 -0.02 1.65 1.25 -0.76 0.00 0.00 175.35 177.64 2kd1 h LEU 48 N 3.05 -0.49 -0.42 3.17 5.85 -1.71 -1.11 115.31 123.65 2kd1 h LEU 48 Ca -0.48 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2kd1 h LEU 48 Cb 1.22 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2kd1 h LEU 48 CO 0.64 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2kd1 h ALA 49 N 1.28 1.00 -0.01 1.25 0.00 -1.81 -2.92 119.26 118.05 2kd1 h ALA 49 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kd1 h ALA 49 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kd1 h ALA 49 CO -0.43 0.00 -0.11 1.63 0.00 0.00 0.00 179.25 180.34 2kd1 n LYS 50 N -2.36 0.90 -1.82 0.00 4.76 -0.43 -4.82 118.16 114.38 2kd1 n LYS 50 Ca 0.04 -0.37 -0.39 0.00 -2.87 0.00 0.00 58.31 54.71 2kd1 n LYS 50 Cb 0.34 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.36 3.39 0.37 -0.35 1.02 -1.11 -4.93 118.68 114.71 2kd1 s LEU 51 Ca 0.31 0.95 0.07 0.00 0.02 0.00 0.00 54.13 55.48 2kd1 s LEU 51 Cb 0.20 -2.82 -0.00 0.00 0.02 0.00 0.00 46.19 43.59 2kd1 s LEU 51 CO 0.45 -2.38 0.51 0.28 0.02 0.00 0.00 176.35 175.23 2kd1 s THR 52 N 9.66 3.71 0.14 5.49 -1.32 -1.26 -4.77 115.64 127.29 2kd1 s THR 52 Ca 0.84 -0.99 0.34 0.00 -1.21 0.00 0.00 61.69 60.66 2kd1 s THR 52 Cb -0.18 -3.27 0.38 0.00 -1.51 0.00 0.00 72.50 67.92 2kd1 s THR 52 CO 0.27 -0.11 2.00 -1.28 -2.21 0.00 0.00 174.62 173.29 2kd1 h SER 53 N 0.80 0.00 -0.85 8.08 0.87 -1.94 -1.91 113.55 118.60 2kd1 h SER 53 Ca -0.44 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.14 2kd1 h SER 53 Cb 1.26 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 2kd1 h SER 53 CO 0.50 0.02 0.56 0.25 -0.53 0.00 0.00 176.83 177.63 2kd1 h LEU 54 N 0.00 0.96 -1.24 2.23 5.85 -1.95 -1.66 115.31 119.48 2kd1 h LEU 54 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2kd1 h LEU 54 Cb 0.50 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2kd1 h LEU 54 CO 0.00 0.68 0.13 0.45 -0.34 0.00 0.00 178.44 179.37 2kd1 h HIS 55 N 1.13 0.66 -0.05 1.25 3.86 -1.74 -1.10 115.15 119.15 2kd1 h HIS 55 Ca 0.32 -0.04 -0.20 0.00 -1.16 0.00 0.00 60.37 59.29 2kd1 h HIS 55 Cb -0.10 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 2kd1 h HIS 55 CO -0.01 0.55 -0.81 0.52 0.86 0.00 0.00 177.93 179.03 2kd1 h MET 56 N 0.64 0.40 -0.19 2.45 2.86 -1.49 -1.77 114.93 117.83 2kd1 h MET 56 Ca 0.15 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2kd1 h MET 56 Cb 0.21 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2kd1 h MET 56 CO -0.01 1.02 0.01 0.37 1.06 0.00 0.00 176.91 179.36 2kd1 h GLN 57 N 0.25 0.33 -0.92 1.72 5.75 -0.94 -1.94 115.11 119.36 2kd1 h GLN 57 Ca -0.05 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.42 2kd1 h GLN 57 Cb 1.41 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.86 2kd1 h GLN 57 CO 0.14 0.52 0.58 -0.91 -2.65 0.00 0.00 178.83 176.51 2kd1 h ASN 58 N 0.09 0.91 0.21 -0.69 2.35 -1.18 -1.56 115.58 115.70 2kd1 h ASN 58 Ca 0.05 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2kd1 h ASN 58 Cb 0.37 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2kd1 h ASN 58 CO 0.01 0.56 -0.10 0.22 -1.65 0.00 0.00 177.43 176.47 2kd1 h TYR 59 N 1.03 -0.26 -0.44 1.19 3.20 -1.20 -1.73 116.97 118.76 2kd1 h TYR 59 Ca 0.41 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.23 2kd1 h TYR 59 Cb 0.22 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2kd1 h TYR 59 CO -0.02 -0.06 0.10 0.28 -1.64 0.00 0.00 178.16 176.83 2kd1 h VAL 60 N -0.42 1.20 -0.33 1.81 2.07 -1.09 -1.53 116.25 117.95 2kd1 h VAL 60 Ca -0.03 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2kd1 h VAL 60 Cb 0.32 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2kd1 h VAL 60 CO 0.05 0.26 -0.22 0.78 0.02 0.00 0.00 177.57 178.46 2kd1 h ASN 61 N 0.64 0.64 0.52 0.57 2.35 -1.22 -2.47 115.58 116.61 2kd1 h ASN 61 Ca 0.15 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 2kd1 h ASN 61 Cb 0.25 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2kd1 h ASN 61 CO -0.00 0.85 -0.43 0.28 -1.65 0.00 0.00 177.43 176.49 2kd1 h SER 62 N 0.57 0.00 0.16 5.81 0.02 -0.45 -1.89 113.55 117.76 2kd1 h SER 62 Ca 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2kd1 h SER 62 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2kd1 h SER 62 CO 0.05 0.43 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.67 2kd1 h LEU 63 N 0.00 0.35 -0.62 5.07 3.38 -0.91 -0.85 115.31 121.73 2kd1 h LEU 63 Ca -0.00 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2kd1 h LEU 63 Cb 0.80 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kd1 h LEU 63 CO 0.06 0.74 -0.52 -0.09 0.09 0.00 0.00 178.44 178.71 2kd1 h ARG 64 N 0.28 0.45 -0.13 1.13 2.43 -1.15 -0.03 114.38 117.35 2kd1 h ARG 64 Ca 0.02 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 2kd1 h ARG 64 Cb 0.87 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2kd1 h ARG 64 CO 0.07 0.87 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.67 2kd1 h ASP 65 N 0.35 0.23 1.29 -3.80 3.32 -0.98 -2.39 116.42 114.44 2kd1 h ASP 65 Ca 0.01 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 2kd1 h ASP 65 Cb 1.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2kd1 h ASP 65 CO 0.09 0.52 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.37 2kd1 h GLU 66 N 0.21 0.00 -2.63 3.56 4.39 -0.94 -3.48 114.58 115.69 2kd1 h GLU 66 Ca 0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 2kd1 h GLU 66 Cb 0.61 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2kd1 h GLU 66 CO 0.04 0.43 -0.27 0.41 -1.16 0.00 0.00 179.01 178.47 2kd1 n GLY 67 N 0.87 0.25 3.78 -3.84 0.00 -0.11 -5.03 105.19 101.11 2kd1 n GLY 67 Ca 0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2kd1 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kd1 s LEU 68 N -3.40 3.34 0.53 0.99 1.43 -0.69 -5.03 118.68 115.85 2kd1 s LEU 68 Ca 0.19 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 2kd1 s LEU 68 Cb -0.08 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.60 2kd1 s LEU 68 CO 0.24 -1.63 0.80 -1.59 0.23 0.00 0.00 176.35 174.39 2kd1 s LYS 69 N -4.26 2.94 0.35 1.70 -2.85 -1.26 -4.89 119.74 111.47 2kd1 s LYS 69 Ca 0.65 -0.27 0.12 0.00 -1.00 0.00 0.00 55.97 55.47 2kd1 s LYS 69 Cb -0.19 -2.41 0.93 0.00 -2.06 0.00 0.00 37.83 34.10 2kd1 s LYS 69 CO 0.44 -0.53 1.78 0.07 0.10 0.00 0.00 175.35 177.20 2kd1 h ARG 70 N 0.07 0.55 0.87 1.78 0.11 -1.97 -1.78 114.38 114.02 2kd1 h ARG 70 Ca -0.45 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.55 2kd1 h ARG 70 Cb 1.26 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 32.22 2kd1 h ARG 70 CO 0.59 0.36 -0.42 0.78 0.10 0.00 0.00 179.97 181.38 2kd1 h GLY 71 N 0.57 -1.22 0.99 0.08 0.00 -1.99 -1.65 103.07 99.85 2kd1 h GLY 71 Ca 0.58 0.45 0.00 0.00 0.00 0.00 0.00 47.33 48.36 2kd1 h GLY 71 CO -0.34 -0.44 0.30 -0.84 0.00 0.00 0.00 176.54 175.22 2kd1 h THR 72 N -1.28 1.14 -0.43 4.70 2.02 -1.84 -0.50 112.91 116.73 2kd1 h THR 72 Ca -0.12 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.78 2kd1 h THR 72 Cb 0.90 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2kd1 h THR 72 CO 0.20 0.14 0.27 0.40 0.37 0.00 0.00 175.52 176.90 2kd1 h ILE 73 N 0.64 1.09 -0.21 3.11 2.04 -1.43 -2.14 117.51 120.61 2kd1 h ILE 73 Ca 0.17 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kd1 h ILE 73 Cb -0.03 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2kd1 h ILE 73 CO -0.03 0.10 0.13 -0.08 0.00 0.00 0.00 178.15 178.27 2kd1 h GLU 74 N 0.55 0.29 0.07 2.37 4.81 -0.85 -2.27 114.58 119.55 2kd1 h GLU 74 Ca 0.16 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2kd1 h GLU 74 Cb -0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2kd1 h GLU 74 CO -0.05 0.24 -0.10 0.87 -0.73 0.00 0.00 179.01 179.24 2kd1 h LYS 75 N 0.26 -0.19 -0.18 1.92 1.57 -0.86 -0.01 116.57 119.08 2kd1 h LYS 75 Ca 0.08 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2kd1 h LYS 75 Cb 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2kd1 h LYS 75 CO -0.01 -0.13 -0.42 -0.84 -0.57 0.00 0.00 179.45 177.48 2kd1 h ILE 76 N -0.20 1.31 -0.60 1.86 3.07 -1.40 -0.56 117.51 120.99 2kd1 h ILE 76 Ca 0.02 -1.57 -0.08 0.00 1.55 0.00 0.00 64.86 64.77 2kd1 h ILE 76 Cb 0.21 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.37 2kd1 h ILE 76 CO -0.05 0.48 0.04 0.40 -1.05 0.00 0.00 178.15 177.98 2kd1 h ILE 77 N 0.34 1.26 -0.17 0.16 1.08 -1.13 -1.93 117.51 117.12 2kd1 h ILE 77 Ca 0.03 -1.07 -0.10 0.00 -0.39 0.00 0.00 64.86 63.33 2kd1 h ILE 77 Cb 0.88 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2kd1 h ILE 77 CO 0.07 0.39 -0.33 0.11 -0.69 0.00 0.00 178.15 177.70 2kd1 h LYS 78 N 0.94 0.35 -0.18 2.37 1.79 -0.22 -0.46 116.57 121.16 2kd1 h LYS 78 Ca 0.18 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2kd1 h LYS 78 Cb 0.48 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2kd1 h LYS 78 CO 0.02 0.64 -0.07 0.28 -1.08 0.00 0.00 179.45 179.24 2kd1 h VAL 79 N 0.30 1.30 -0.41 0.50 2.07 -0.97 -0.74 116.25 118.30 2kd1 h VAL 79 Ca 0.04 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2kd1 h VAL 79 Cb 0.73 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2kd1 h VAL 79 CO 0.06 0.33 0.15 0.40 0.02 0.00 0.00 177.57 178.52 2kd1 h ILE 80 N 0.05 1.21 -0.28 4.57 2.04 -1.22 -1.28 117.51 122.60 2kd1 h ILE 80 Ca 0.04 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2kd1 h ILE 80 Cb 0.54 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2kd1 h ILE 80 CO 0.02 0.24 0.18 0.03 0.00 0.00 0.00 178.15 178.62 2kd1 h ARG 81 N 0.52 0.37 -0.63 2.37 3.08 -1.10 -0.98 114.38 118.01 2kd1 h ARG 81 Ca 0.13 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2kd1 h ARG 81 Cb 0.23 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2kd1 h ARG 81 CO -0.01 0.27 0.19 -0.97 -1.07 0.00 0.00 179.97 178.38 2kd1 h ASN 82 N 0.36 0.88 -0.19 7.04 -0.00 -1.00 0.51 115.58 123.19 2kd1 h ASN 82 Ca 0.10 -0.15 -0.03 0.00 -0.00 0.00 0.00 56.30 56.22 2kd1 h ASN 82 Cb -0.02 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.07 2kd1 h ASN 82 CO -0.02 0.83 -0.00 -1.28 -0.00 0.00 0.00 177.43 176.96 2kd1 h SER 83 N 0.92 0.34 0.32 1.15 0.87 -1.02 -2.09 113.55 114.04 2kd1 h SER 83 Ca 0.21 -0.31 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 2kd1 h SER 83 Cb 0.26 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2kd1 h SER 83 CO -0.01 0.56 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.27 2kd1 h LEU 84 N 0.10 0.24 -0.64 2.23 3.38 -0.88 -0.09 115.31 119.64 2kd1 h LEU 84 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kd1 h LEU 84 Cb 0.39 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2kd1 h LEU 84 CO 0.01 0.71 0.34 -0.33 0.09 0.00 0.00 178.44 179.26 2kd1 h GLU 85 N 0.17 0.91 0.00 1.13 4.39 -0.86 -0.98 114.58 119.34 2kd1 h GLU 85 Ca 0.00 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2kd1 h GLU 85 Cb 0.97 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2kd1 h GLU 85 CO 0.08 0.69 -0.23 1.25 -1.16 0.00 0.00 179.01 179.64 2kd1 h HIS 86 N 0.88 0.00 0.01 4.33 2.76 -1.04 -2.05 115.15 120.05 2kd1 h HIS 86 Ca 0.23 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.18 2kd1 h HIS 86 Cb 0.06 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2kd1 h HIS 86 CO -0.01 0.23 -0.94 0.00 -1.30 0.00 0.00 177.93 175.92 2kd1 h ALA 87 N 1.77 0.40 -0.36 5.26 0.00 -0.54 -1.14 119.26 124.65 2kd1 h ALA 87 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 2kd1 h ALA 87 Cb 0.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kd1 h ALA 87 CO 0.03 0.88 -0.30 0.82 0.00 0.00 0.00 179.25 180.67 2kd1 h ILE 88 N 0.16 1.28 -0.66 0.00 2.04 -1.05 0.23 117.51 119.51 2kd1 h ILE 88 Ca -0.07 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.35 2kd1 h ILE 88 Cb 1.59 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 2kd1 h ILE 88 CO 0.15 0.48 0.44 -0.78 0.00 0.00 0.00 178.15 178.44 2kd1 h ASP 89 N 0.66 0.75 -0.19 1.72 3.58 -1.34 -2.04 116.42 119.56 2kd1 h ASP 89 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kd1 h ASP 89 Cb 0.84 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2kd1 h ASP 89 CO 0.07 0.54 0.00 0.18 -2.88 0.00 0.00 179.24 177.15 2kd1 n LEU 90 N -4.63 1.26 -0.91 2.28 4.77 -0.44 -4.92 117.00 114.41 2kd1 n LEU 90 Ca 0.06 -0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 55.33 2kd1 n LEU 90 Cb 0.03 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2kd1 n LEU 90 CO 0.35 0.29 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.97 2kd1 n GLU 91 N 0.12 -1.55 0.16 3.23 1.02 -0.54 -4.85 120.64 118.23 2kd1 n GLU 91 Ca 0.12 0.90 0.02 0.00 -0.02 0.00 0.00 57.16 58.17 2kd1 n GLU 91 Cb 0.23 -5.25 0.22 0.00 -0.02 0.00 0.00 31.44 26.62 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 -8.42 -4.62 3.38 -0.85 -3.45 115.31 101.35 2kd1 h LEU 92 Ca -0.24 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 2kd1 h LEU 92 Cb 1.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 2kd1 h LEU 92 CO 0.36 0.53 -0.67 0.27 0.09 0.00 0.00 178.44 179.01 2kd1 s ILE 93 N -3.53 0.39 -0.14 1.22 -4.36 -1.11 -4.60 121.20 109.06 2kd1 s ILE 93 Ca -0.00 -1.90 0.17 0.00 -0.26 0.00 0.00 60.65 58.65 2kd1 s ILE 93 Cb 0.12 -1.82 -0.24 0.00 1.25 0.00 0.00 42.46 41.76 2kd1 s ILE 93 CO 0.73 -0.72 0.32 0.35 0.24 0.00 0.00 174.94 175.87 2kd1 n THR 94 N -0.05 1.35 -3.82 8.37 -2.24 -1.26 -4.06 114.28 112.57 2kd1 n THR 94 Ca -0.10 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2kd1 n THR 94 Cb 0.62 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kd1 s LYS 95 N -2.62 0.06 -0.53 -0.78 2.20 -1.26 -4.99 119.74 111.82 2kd1 s LYS 95 Ca -0.08 0.14 -0.27 0.00 -0.36 0.00 0.00 55.97 55.41 2kd1 s LYS 95 Cb 0.07 -0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2kd1 s LYS 95 CO 0.83 -0.05 1.06 1.21 -0.36 0.00 0.00 175.35 178.04 2kd1 s ASN 96 N 0.33 6.46 0.09 1.43 3.84 -1.26 -4.90 114.94 120.93 2kd1 s ASN 96 Ca -0.02 0.04 0.27 0.00 0.21 0.00 0.00 52.86 53.36 2kd1 s ASN 96 Cb -0.04 -2.50 0.97 0.00 -0.55 0.00 0.00 41.25 39.13 2kd1 s ASN 96 CO -0.01 -1.29 1.80 1.33 -2.79 0.00 0.00 177.10 176.14 2kd1 n VAL 97 N 6.52 0.27 0.95 -5.21 0.24 -1.26 -2.86 118.33 116.98 2kd1 n VAL 97 Ca 0.07 -0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 2kd1 n VAL 97 Cb 0.48 -0.47 0.26 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.64 3.42 0.22 2.33 0.00 -1.26 -3.38 120.51 120.20 2kd1 n ALA 98 Ca 0.06 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.26 2kd1 n ALA 98 Cb 0.38 -1.14 0.44 0.00 0.00 0.00 0.00 19.45 19.13 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 1.03 0.00 0.00 0.00 -1.91 -2.25 119.26 119.07 2kd1 h ALA 99 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kd1 h ALA 99 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kd1 h ALA 99 CO 0.00 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2kd1 n LYS 100 N -3.44 0.17 -3.61 0.00 4.76 -1.22 -4.75 118.16 110.08 2kd1 n LYS 100 Ca -0.00 0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 55.27 2kd1 n LYS 100 Cb 0.44 -1.73 -0.11 0.00 -1.84 0.00 0.00 35.03 31.78 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 -3.12 4.95 0.37 -0.18 2.01 -0.85 -5.09 115.64 113.73 2kd1 s THR 101 Ca 0.10 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 61.94 2kd1 s THR 101 Cb 0.13 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 2kd1 s THR 101 CO 0.52 0.09 0.33 -0.54 -0.69 0.00 0.00 174.62 174.32 2kd1 s LYS 102 N 1.68 2.64 -0.06 4.92 1.02 -1.26 -4.95 119.74 123.73 2kd1 s LYS 102 Ca 0.06 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2kd1 s LYS 102 Cb -0.17 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 2kd1 s LYS 102 CO 0.08 -0.03 1.53 -1.17 -0.92 0.00 0.00 175.35 174.84 2kd1 s LEU 103 N -4.05 4.29 0.04 3.17 2.96 -1.26 -4.99 118.68 118.84 2kd1 s LEU 103 Ca 0.44 2.11 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 2kd1 s LEU 103 Cb -0.05 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 2kd1 s LEU 103 CO 0.27 -0.86 1.97 -0.81 -1.32 0.00 0.00 176.35 175.60 2kd1 n PRO 104 N 6.66 2.87 -1.85 0.98 -0.04 -1.26 -4.93 135.00 137.43 2kd1 n PRO 104 Ca 0.16 1.05 -0.42 0.00 -0.04 0.00 0.00 63.50 64.25 2kd1 n PRO 104 Cb 0.43 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.86 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kd1 s LYS 105 N 4.35 4.17 -0.10 0.54 1.02 -1.26 -4.89 119.74 123.57 2kd1 s LYS 105 Ca 0.89 2.41 0.14 0.00 0.02 0.00 0.00 55.97 59.43 2kd1 s LYS 105 Cb -0.44 -3.77 0.22 0.00 -0.52 0.00 0.00 37.83 33.32 2kd1 s LYS 105 CO 0.42 -0.82 1.12 0.00 -0.92 0.00 0.00 175.35 175.15 2kd1 n ALA 106 N 6.24 2.22 -2.18 5.17 0.00 -1.26 -5.09 120.51 125.61 2kd1 n ALA 106 Ca 0.17 -2.25 -0.25 0.00 0.00 0.00 0.00 53.44 51.11 2kd1 n ALA 106 Cb 0.41 -0.41 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.43 5.68 -1.34 0.00 1.11 -1.26 -4.99 116.67 113.44 2kd1 s ASP 107 Ca 0.24 0.50 -0.17 0.00 0.18 0.00 0.00 52.55 53.30 2kd1 s ASP 107 Cb 0.22 -1.59 0.06 0.00 1.07 0.00 0.00 42.92 42.67 2kd1 s ASP 107 CO 0.02 -0.91 1.86 0.29 1.18 0.00 0.00 175.17 177.61 2kd1 n LYS 108 N -2.36 3.09 -1.27 8.23 4.76 -1.26 -4.99 118.16 124.36 2kd1 n LYS 108 Ca 0.03 -3.10 -0.29 0.00 -2.87 0.00 0.00 58.31 52.09 2kd1 n LYS 108 Cb 0.58 -3.45 0.16 0.00 -1.84 0.00 0.00 35.03 30.48 2kd1 n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kd1 s GLU 109 N 4.01 0.65 -0.30 1.97 2.02 -1.26 -4.94 118.70 120.85 2kd1 s GLU 109 Ca 0.52 0.46 -0.04 0.00 0.02 0.00 0.00 54.97 55.94 2kd1 s GLU 109 Cb 0.06 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 2kd1 s GLU 109 CO 0.04 -2.57 2.91 -0.85 0.02 0.00 0.00 175.26 174.81 2kd1 n GLU 110 N -4.06 2.19 0.00 1.61 0.28 -1.26 -4.50 120.64 114.91 2kd1 n GLU 110 Ca 0.06 -1.84 0.11 0.00 -0.16 0.00 0.00 57.16 55.33 2kd1 n GLU 110 Cb 0.58 -2.02 0.56 0.00 1.43 0.00 0.00 31.44 31.99 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kd1 n LEU 111 N 1.28 0.00 0.00 -1.84 4.77 -1.26 -4.80 117.00 115.15 2kd1 n LEU 111 Ca 0.44 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2kd1 n LEU 111 Cb 0.65 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2kd1 n LEU 111 CO 0.27 -0.08 0.00 -1.84 -1.33 0.00 0.00 177.39 174.41 2kd1 n GLU 112 N -1.33 -0.24 -1.43 3.23 0.28 -1.26 -4.88 120.64 115.01 2kd1 n GLU 112 Ca 0.10 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.59 2kd1 n GLU 112 Cb 0.20 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.99 2kd1 n GLU 112 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2kd1 n HIS 113 N -1.77 1.50 -1.57 -1.84 1.44 -1.26 -4.83 115.22 106.88 2kd1 n HIS 113 Ca 0.00 0.33 -0.07 0.00 -2.01 0.00 0.00 57.72 55.97 2kd1 n HIS 113 Cb 0.00 -2.50 0.17 0.00 0.12 0.00 0.00 29.99 27.78 2kd1 n HIS 113 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kd1 n HIS 114 N 9.81 1.26 -1.60 -1.40 8.25 -1.26 -5.07 115.22 125.21 2kd1 n HIS 114 Ca 0.44 -1.77 -0.43 0.00 -0.26 0.00 0.00 57.72 55.69 2kd1 n HIS 114 Cb 0.20 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 2kd1 n HIS 114 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kd1 n HIS 115 N -1.05 2.02 -2.33 4.41 -0.00 -1.26 -4.97 115.22 112.03 2kd1 n HIS 115 Ca 0.34 -0.15 -0.32 0.00 -0.00 0.00 0.00 57.72 57.60 2kd1 n HIS 115 Cb 0.94 -2.73 -0.03 0.00 -0.00 0.00 0.00 29.99 28.17 2kd1 n HIS 115 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd1 s HIS 116 N 7.84 3.48 -0.45 1.57 3.76 -1.26 -4.98 115.29 125.25 2kd1 s HIS 116 Ca 1.00 1.41 -0.03 0.00 -0.15 0.00 0.00 55.06 57.29 2kd1 s HIS 116 Cb -0.36 -2.76 0.15 0.00 1.11 0.00 0.00 32.58 30.72 2kd1 s HIS 116 CO 0.36 -0.41 2.47 0.72 -0.85 0.00 0.00 174.74 177.04 2kd1 n HIS 117 N -1.76 1.77 1.38 1.40 8.25 -1.26 -5.31 115.22 119.69 2kd1 n HIS 117 Ca 0.06 -2.04 0.14 0.00 -0.26 0.00 0.00 57.72 55.61 2kd1 n HIS 117 Cb 0.54 -1.26 0.42 0.00 1.12 0.00 0.00 29.99 30.81 2kd1 n HIS 117 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56