#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 s GLU 2 N 0.00 0.56 -0.65 3.17 2.12 -1.26 -5.10 118.70 117.55 2kd1 s GLU 2 Ca 0.00 0.76 -0.26 0.00 0.36 0.00 0.00 54.97 55.83 2kd1 s GLU 2 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2kd1 s GLU 2 CO 0.00 -0.09 1.97 -2.14 -0.54 0.00 0.00 175.26 174.46 2kd1 s PRO 3 N 0.58 2.51 -0.76 4.30 0.02 -1.26 -4.90 135.00 135.48 2kd1 s PRO 3 Ca -0.03 0.58 -0.26 0.00 0.02 0.00 0.00 61.00 61.32 2kd1 s PRO 3 Cb -0.05 -4.53 -0.09 0.00 0.02 0.00 0.00 34.50 29.86 2kd1 s PRO 3 CO -0.03 -2.97 2.20 -1.54 -0.33 0.00 0.00 177.00 174.34 2kd1 s SER 4 N 8.75 4.51 0.26 2.53 1.04 -1.26 -4.77 113.70 124.76 2kd1 s SER 4 Ca 0.73 0.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 2kd1 s SER 4 Cb -0.12 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.77 2kd1 s SER 4 CO 0.18 -3.22 1.94 0.11 0.98 0.00 0.00 173.24 173.23 2kd1 h LYS 5 N 13.51 1.26 -5.88 4.02 1.79 -2.03 -3.39 116.57 125.85 2kd1 h LYS 5 Ca -0.03 -0.08 -0.50 0.00 -2.18 0.00 0.00 60.65 57.86 2kd1 h LYS 5 Cb 1.06 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 2kd1 h LYS 5 CO 1.12 0.83 1.45 -1.17 -1.08 0.00 0.00 179.45 180.60 2kd1 s LEU 6 N -10.06 3.35 0.69 2.94 2.96 -1.26 -4.99 118.68 112.32 2kd1 s LEU 6 Ca -0.13 0.74 -0.13 0.00 -0.22 0.00 0.00 54.13 54.39 2kd1 s LEU 6 Cb 0.18 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2kd1 s LEU 6 CO 0.81 -2.48 1.10 -0.44 -1.32 0.00 0.00 176.35 174.02 2kd1 s SER 7 N 9.35 4.97 0.27 3.68 0.01 -1.26 -3.04 113.70 127.68 2kd1 s SER 7 Ca 0.80 1.92 -0.04 0.00 1.31 0.00 0.00 55.95 59.94 2kd1 s SER 7 Cb -0.16 -2.54 0.34 0.00 0.21 0.00 0.00 66.02 63.88 2kd1 s SER 7 CO 0.24 -1.72 1.89 0.22 0.41 0.00 0.00 173.24 174.29 2kd1 h TYR 8 N -0.34 1.09 -0.18 2.43 3.20 -1.24 -0.00 116.97 121.93 2kd1 h TYR 8 Ca -0.46 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.30 2kd1 h TYR 8 Cb 1.24 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2kd1 h TYR 8 CO 0.56 0.75 -0.29 0.78 -1.64 0.00 0.00 178.16 178.32 2kd1 h GLY 9 N 1.14 0.37 1.38 1.82 0.00 -0.83 0.19 103.07 107.15 2kd1 h GLY 9 Ca 0.28 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2kd1 h GLY 9 CO -0.05 0.28 -0.64 0.83 0.00 0.00 0.00 176.54 176.96 2kd1 h GLU 10 N 0.30 0.63 0.00 4.80 4.39 -1.66 -3.11 114.58 119.93 2kd1 h GLU 10 Ca 0.04 -0.45 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 2kd1 h GLU 10 Cb 0.67 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2kd1 h GLU 10 CO 0.05 1.07 -0.41 -0.92 -1.16 0.00 0.00 179.01 177.64 2kd1 h TYR 11 N 0.46 0.00 -0.79 4.33 3.20 -0.44 -2.24 116.97 121.49 2kd1 h TYR 11 Ca -0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2kd1 h TYR 11 Cb 1.22 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 2kd1 h TYR 11 CO 0.06 0.41 0.42 -0.07 -1.64 0.00 0.00 178.16 177.34 2kd1 h LEU 12 N 0.00 0.99 0.01 2.82 3.38 -0.56 0.22 115.31 122.16 2kd1 h LEU 12 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kd1 h LEU 12 Cb 0.86 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kd1 h LEU 12 CO 0.05 0.80 -0.00 -0.33 0.09 0.00 0.00 178.44 179.05 2kd1 h GLU 13 N 1.10 -0.01 0.33 1.13 4.39 -1.50 -2.16 114.58 117.86 2kd1 h GLU 13 Ca 0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 2kd1 h GLU 13 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2kd1 h GLU 13 CO -0.04 0.39 -0.30 1.03 -1.16 0.00 0.00 179.01 178.92 2kd1 h SER 14 N -0.41 -0.81 -0.38 1.42 0.87 -1.15 0.19 113.55 113.28 2kd1 h SER 14 Ca -0.00 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2kd1 h SER 14 Cb 0.41 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 2kd1 h SER 14 CO 0.00 -0.44 0.11 -0.25 -0.53 0.00 0.00 176.83 175.72 2kd1 h TRP 15 N -0.66 0.18 -0.71 2.24 7.01 -1.08 -2.57 115.95 120.37 2kd1 h TRP 15 Ca -0.02 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2kd1 h TRP 15 Cb 0.59 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 2kd1 h TRP 15 CO -0.17 0.06 0.21 0.35 -2.79 0.00 0.00 178.44 176.09 2kd1 h PHE 16 N 0.24 1.15 -0.62 2.65 3.57 -1.09 0.39 116.94 123.24 2kd1 h PHE 16 Ca 0.18 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kd1 h PHE 16 Cb 0.18 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2kd1 h PHE 16 CO -0.17 0.93 0.39 -0.91 -2.23 0.00 0.00 178.31 176.31 2kd1 h ASN 17 N 1.05 0.74 -0.84 0.41 2.35 -0.80 0.11 115.58 118.59 2kd1 h ASN 17 Ca 0.23 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2kd1 h ASN 17 Cb 0.32 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2kd1 h ASN 17 CO -0.00 0.57 0.49 0.74 -1.65 0.00 0.00 177.43 177.58 2kd1 h THR 18 N 0.84 1.24 0.00 2.81 2.02 -1.18 -3.22 112.91 115.42 2kd1 h THR 18 Ca 0.22 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2kd1 h THR 18 Cb -0.04 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 2kd1 h THR 18 CO -0.04 0.25 -0.28 0.50 0.37 0.00 0.00 175.52 176.32 2kd1 h LYS 19 N 1.15 0.00 0.00 6.66 1.63 0.13 -3.14 116.57 123.00 2kd1 h LYS 19 Ca 0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2kd1 h LYS 19 Cb -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2kd1 h LYS 19 CO -0.05 0.27 0.00 0.00 -3.45 0.00 0.00 179.45 176.22 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -0.84 -1.63 114.38 116.89 2kd1 h ARG 20 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2kd1 h ARG 20 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2kd1 h ARG 20 CO 0.04 0.00 -0.21 0.45 -1.07 0.00 0.00 179.97 179.17 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.72 -3.35 115.15 116.99 2kd1 h HIS 21 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 2kd1 h HIS 21 Cb 0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2kd1 h HIS 21 CO 0.00 0.21 -1.91 0.45 0.86 0.00 0.00 177.93 177.54 2kd1 n SER 22 N -3.58 1.22 -4.76 2.45 2.88 -0.74 -5.01 113.62 106.07 2kd1 n SER 22 Ca -0.01 0.21 -0.39 0.00 -1.33 0.00 0.00 58.87 57.35 2kd1 n SER 22 Cb 0.35 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.32 3.54 0.93 2.46 -7.23 -0.69 -5.05 120.40 112.04 2kd1 s VAL 23 Ca -0.24 1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 61.27 2kd1 s VAL 23 Cb 0.09 -3.89 0.15 0.00 0.56 0.00 0.00 36.38 33.28 2kd1 s VAL 23 CO 0.30 0.28 1.11 -0.83 -0.31 0.00 0.00 175.10 175.65 2kd1 s GLY 24 N -1.04 1.58 0.22 2.32 0.00 -1.26 -4.66 107.32 104.48 2kd1 s GLY 24 Ca 0.48 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 2kd1 s GLY 24 CO 0.38 0.16 1.86 -2.22 0.00 0.00 0.00 173.10 173.27 2kd1 h ILE 25 N -1.59 1.09 -0.68 0.90 1.08 -1.96 0.77 117.51 117.12 2kd1 h ILE 25 Ca -0.51 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 63.57 2kd1 h ILE 25 Cb 1.32 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2kd1 h ILE 25 CO 0.60 0.17 0.20 0.06 -0.69 0.00 0.00 178.15 178.49 2kd1 h GLN 26 N 0.95 1.06 0.05 2.37 3.07 -2.00 -2.39 115.11 118.21 2kd1 h GLN 26 Ca 0.33 -0.22 -0.23 0.00 0.09 0.00 0.00 58.65 58.61 2kd1 h GLN 26 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2kd1 h GLN 26 CO -0.13 0.91 -1.03 1.15 0.09 0.00 0.00 178.83 179.82 2kd1 h THR 27 N 1.02 1.52 -0.43 1.86 2.02 -1.79 -3.15 112.91 113.95 2kd1 h THR 27 Ca 0.22 -2.87 -0.09 0.00 0.77 0.00 0.00 66.41 64.44 2kd1 h THR 27 Cb 0.30 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2kd1 h THR 27 CO -0.01 0.84 -0.08 0.00 0.37 0.00 0.00 175.52 176.64 2kd1 h ALA 28 N 0.81 0.60 -0.45 6.16 0.00 -0.74 -1.58 119.26 124.05 2kd1 h ALA 28 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2kd1 h ALA 28 Cb 1.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2kd1 h ALA 28 CO 0.16 0.46 0.25 -0.22 0.00 0.00 0.00 179.25 179.90 2kd1 h LYS 29 N 0.65 0.62 0.22 0.00 3.11 -1.48 -1.66 116.57 118.02 2kd1 h LYS 29 Ca 0.11 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2kd1 h LYS 29 Cb 0.61 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2kd1 h LYS 29 CO 0.04 0.46 -0.10 0.28 -2.81 0.00 0.00 179.45 177.31 2kd1 h VAL 30 N 0.63 0.84 -0.20 2.00 2.07 -1.42 0.08 116.25 120.26 2kd1 h VAL 30 Ca 0.16 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2kd1 h VAL 30 Cb 0.02 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2kd1 h VAL 30 CO -0.03 0.16 0.10 -0.07 0.02 0.00 0.00 177.57 177.75 2kd1 h LEU 31 N -0.72 0.25 -0.38 2.57 3.38 -1.16 -1.76 115.31 117.50 2kd1 h LEU 31 Ca -0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2kd1 h LEU 31 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2kd1 h LEU 31 CO 0.05 0.30 -0.45 0.50 0.09 0.00 0.00 178.44 178.93 2kd1 h LYS 32 N 0.19 0.00 -0.19 1.13 3.64 -1.44 -2.48 116.57 117.42 2kd1 h LYS 32 Ca 0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2kd1 h LYS 32 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kd1 h LYS 32 CO -0.01 0.45 -0.04 0.78 -2.27 0.00 0.00 179.45 178.36 2kd1 h GLY 33 N 2.94 0.30 1.41 5.01 0.00 -0.52 -0.31 103.07 111.89 2kd1 h GLY 33 Ca -0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 2kd1 h GLY 33 CO 0.06 0.15 -1.00 -0.97 0.00 0.00 0.00 176.54 174.77 2kd1 h TYR 34 N 0.27 0.79 0.53 5.60 0.05 -1.16 -3.22 116.97 119.84 2kd1 h TYR 34 Ca 0.06 -0.44 -0.03 0.00 0.05 0.00 0.00 58.73 58.38 2kd1 h TYR 34 Cb 0.25 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 37.91 2kd1 h TYR 34 CO 0.00 1.27 -0.26 -0.07 -1.05 0.00 0.00 178.16 178.06 2kd1 h LEU 35 N 0.29 -0.61 -1.62 3.88 3.38 -0.95 -1.54 115.31 118.14 2kd1 h LEU 35 Ca -0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2kd1 h LEU 35 Cb 1.65 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2kd1 h LEU 35 CO 0.18 -0.37 0.16 0.78 0.09 0.00 0.00 178.44 179.28 2kd1 h ASN 36 N -0.81 0.36 0.02 -0.43 2.35 -1.21 -0.17 115.58 115.69 2kd1 h ASN 36 Ca -0.07 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.45 2kd1 h ASN 36 Cb 0.59 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2kd1 h ASN 36 CO 0.12 0.30 -1.13 0.28 -1.65 0.00 0.00 177.43 175.35 2kd1 h SER 37 N 0.41 0.08 0.00 5.81 0.02 -1.59 -3.41 113.55 114.88 2kd1 h SER 37 Ca 0.11 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2kd1 h SER 37 Cb 0.03 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kd1 h SER 37 CO -0.02 1.46 -0.84 0.54 -1.14 0.00 0.00 176.83 176.83 2kd1 n ARG 38 N -4.33 0.49 0.06 3.45 5.12 -0.58 -4.69 116.66 116.19 2kd1 n ARG 38 Ca -0.28 0.29 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 2kd1 n ARG 38 Cb 0.71 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 30.51 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 -0.97 1.41 0.42 0.55 5.03 -1.20 -3.26 117.51 119.49 2kd1 h ILE 39 Ca 0.00 -2.38 -0.01 0.00 -0.12 0.00 0.00 64.86 62.34 2kd1 h ILE 39 Cb 0.84 2.34 -0.01 0.00 -3.03 0.00 0.00 36.82 36.96 2kd1 h ILE 39 CO 0.00 0.71 -0.27 0.40 -0.68 0.00 0.00 178.15 178.31 2kd1 h ILE 40 N 0.23 0.44 0.00 -0.67 1.08 -1.33 0.31 117.51 117.57 2kd1 h ILE 40 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2kd1 h ILE 40 Cb 1.50 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2kd1 h ILE 40 CO 0.15 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.80 2kd1 n PRO 41 N -5.40 0.19 -0.01 2.37 -0.04 -1.25 -2.46 135.00 128.39 2kd1 n PRO 41 Ca -0.11 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.44 2kd1 n PRO 41 Cb 0.30 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2kd1 n PRO 41 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kd1 n SER 42 N -1.37 0.33 -0.00 3.54 7.64 -1.01 -4.87 113.62 117.89 2kd1 n SER 42 Ca 0.08 0.05 0.06 0.00 1.01 0.00 0.00 58.87 60.08 2kd1 n SER 42 Cb 0.21 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kd1 n LEU 43 N -2.83 0.59 0.01 -3.43 4.77 0.78 -4.74 117.00 112.14 2kd1 n LEU 43 Ca -0.02 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.35 2kd1 n LEU 43 Cb 0.08 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2kd1 n LEU 43 CO 0.03 0.15 0.61 1.23 -1.33 0.00 0.00 177.39 178.08 2kd1 h GLY 44 N 3.03 -0.06 1.35 -0.72 0.00 -0.36 -3.04 103.07 103.27 2kd1 h GLY 44 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2kd1 h GLY 44 CO 0.00 -0.02 0.00 0.70 0.00 0.00 0.00 176.54 177.22 2kd1 n ASN 45 N -4.90 0.00 -4.87 0.19 5.03 -1.14 -0.31 115.26 109.27 2kd1 n ASN 45 Ca -0.08 -0.28 -0.31 0.00 0.87 0.00 0.00 54.58 54.78 2kd1 n ASN 45 Cb 0.25 -0.17 -0.04 0.00 -1.02 0.00 0.00 39.78 38.79 2kd1 n ASN 45 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2kd1 s ILE 46 N -2.35 4.77 0.53 2.41 1.01 -1.15 -4.97 121.20 121.45 2kd1 s ILE 46 Ca 0.25 0.69 -0.19 0.00 0.00 0.00 0.00 60.65 61.40 2kd1 s ILE 46 Cb 0.15 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 2kd1 s ILE 46 CO 0.30 -0.41 1.08 -0.54 0.00 0.00 0.00 174.94 175.36 2kd1 s LYS 47 N -3.58 3.55 0.20 2.79 -0.14 -1.26 -1.16 119.74 120.14 2kd1 s LYS 47 Ca 0.52 1.44 -0.11 0.00 -1.36 0.00 0.00 55.97 56.45 2kd1 s LYS 47 Cb -0.10 -2.05 0.16 0.00 -1.68 0.00 0.00 37.83 34.16 2kd1 s LYS 47 CO 0.27 -0.66 1.85 1.25 -0.76 0.00 0.00 175.35 177.31 2kd1 h LEU 48 N 1.25 0.73 -0.32 3.17 5.85 -1.78 -2.26 115.31 121.95 2kd1 h LEU 48 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2kd1 h LEU 48 Cb 1.24 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kd1 h LEU 48 CO 0.58 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 2kd1 h ALA 49 N 1.28 1.00 0.00 1.25 0.00 -1.90 -3.04 119.26 117.85 2kd1 h ALA 49 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kd1 h ALA 49 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kd1 h ALA 49 CO -0.09 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.03 2kd1 h LYS 50 N 0.00 0.00 -5.57 0.00 1.79 -1.79 -3.43 116.57 107.57 2kd1 h LYS 50 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2kd1 h LYS 50 Cb 0.60 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 2kd1 h LYS 50 CO 0.00 0.00 0.60 -0.51 -1.08 0.00 0.00 179.45 178.46 2kd1 s LEU 51 N -5.01 3.07 0.55 2.94 1.02 -1.15 -4.89 118.68 115.21 2kd1 s LEU 51 Ca 0.08 -0.02 0.09 0.00 0.02 0.00 0.00 54.13 54.30 2kd1 s LEU 51 Cb 0.10 -2.54 0.08 0.00 0.02 0.00 0.00 46.19 43.84 2kd1 s LEU 51 CO 0.57 -3.24 0.76 0.28 0.02 0.00 0.00 176.35 174.74 2kd1 s THR 52 N 12.37 2.29 0.50 5.49 -1.32 -1.26 -4.79 115.64 128.93 2kd1 s THR 52 Ca 0.83 -0.98 0.16 0.00 -1.21 0.00 0.00 61.69 60.49 2kd1 s THR 52 Cb -0.11 -2.30 0.25 0.00 -1.51 0.00 0.00 72.50 68.82 2kd1 s THR 52 CO 0.09 0.00 2.12 -1.28 -2.21 0.00 0.00 174.62 173.33 2kd1 h SER 53 N 0.23 0.00 -0.57 8.08 0.87 -1.91 -1.88 113.55 118.36 2kd1 h SER 53 Ca -0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2kd1 h SER 53 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 2kd1 h SER 53 CO 0.41 0.05 0.35 0.25 -0.53 0.00 0.00 176.83 177.36 2kd1 h LEU 54 N 0.00 0.69 -1.09 2.23 5.85 -1.96 -1.58 115.31 119.44 2kd1 h LEU 54 Ca -0.00 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2kd1 h LEU 54 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kd1 h LEU 54 CO 0.01 0.55 -0.17 0.45 -0.34 0.00 0.00 178.44 178.93 2kd1 h HIS 55 N 0.78 0.47 -0.02 1.25 3.86 -1.69 -1.76 115.15 118.04 2kd1 h HIS 55 Ca 0.21 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2kd1 h HIS 55 Cb -0.02 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 2kd1 h HIS 55 CO -0.02 0.59 -0.02 0.52 0.86 0.00 0.00 177.93 179.85 2kd1 h MET 56 N 0.40 0.04 -0.02 2.45 2.86 -1.29 -2.57 114.93 116.80 2kd1 h MET 56 Ca 0.07 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2kd1 h MET 56 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2kd1 h MET 56 CO 0.03 0.57 0.00 0.37 1.06 0.00 0.00 176.91 178.95 2kd1 h GLN 57 N -0.48 0.03 0.00 1.72 5.75 -1.20 -2.06 115.11 118.87 2kd1 h GLN 57 Ca 0.00 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 2kd1 h GLN 57 Cb 0.57 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 2kd1 h GLN 57 CO 0.01 0.25 -0.26 -0.91 -2.65 0.00 0.00 178.83 175.27 2kd1 h ASN 58 N -0.19 0.00 -0.01 -0.69 2.35 -1.45 -1.11 115.58 114.47 2kd1 h ASN 58 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 58 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2kd1 h ASN 58 CO 0.00 0.26 -0.00 0.22 -1.65 0.00 0.00 177.43 176.26 2kd1 h TYR 59 N 0.00 0.03 -0.55 1.19 3.20 -1.26 -2.36 116.97 117.22 2kd1 h TYR 59 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kd1 h TYR 59 Cb 0.56 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2kd1 h TYR 59 CO 0.00 0.35 0.29 0.28 -1.64 0.00 0.00 178.16 177.44 2kd1 h VAL 60 N -0.30 1.17 -0.78 1.81 2.07 -0.95 -1.54 116.25 117.73 2kd1 h VAL 60 Ca 0.00 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2kd1 h VAL 60 Cb 0.34 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2kd1 h VAL 60 CO 0.00 0.19 0.30 0.78 0.02 0.00 0.00 177.57 178.86 2kd1 h ASN 61 N 0.76 1.07 -0.24 0.57 2.35 -1.19 -2.35 115.58 116.55 2kd1 h ASN 61 Ca 0.19 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2kd1 h ASN 61 Cb 0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2kd1 h ASN 61 CO -0.03 0.95 -0.13 0.28 -1.65 0.00 0.00 177.43 176.85 2kd1 h SER 62 N 1.13 0.64 -0.40 5.81 0.02 -0.74 -1.10 113.55 118.90 2kd1 h SER 62 Ca 0.26 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2kd1 h SER 62 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2kd1 h SER 62 CO -0.02 0.79 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.39 2kd1 h LEU 63 N 0.59 0.76 -0.66 5.07 3.38 -1.12 -1.48 115.31 121.86 2kd1 h LEU 63 Ca 0.10 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2kd1 h LEU 63 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2kd1 h LEU 63 CO 0.04 0.84 -0.39 -0.09 0.09 0.00 0.00 178.44 178.92 2kd1 h ARG 64 N 0.74 0.60 -0.34 1.13 2.43 -1.08 -1.27 114.38 116.59 2kd1 h ARG 64 Ca 0.14 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2kd1 h ARG 64 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2kd1 h ARG 64 CO 0.02 0.89 0.03 -0.44 -1.51 0.00 0.00 179.97 178.96 2kd1 h ASP 65 N 0.50 0.47 0.85 -3.80 3.32 -0.64 -1.30 116.42 115.83 2kd1 h ASP 65 Ca 0.05 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2kd1 h ASP 65 Cb 0.89 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2kd1 h ASP 65 CO 0.08 0.52 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.44 2kd1 h GLU 66 N 0.49 0.00 -0.02 3.56 4.39 -1.11 -3.47 114.58 118.42 2kd1 h GLU 66 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kd1 h GLU 66 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2kd1 h GLU 66 CO 0.01 0.36 -0.00 0.41 -1.16 0.00 0.00 179.01 178.62 2kd1 n GLY 67 N 0.21 0.37 3.75 -3.84 0.00 -0.49 -5.03 105.19 100.16 2kd1 n GLY 67 Ca -0.00 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.05 4.39 0.49 0.99 1.43 -0.53 -5.01 118.68 120.39 2kd1 s LEU 68 Ca 0.00 2.65 -0.22 0.00 -1.03 0.00 0.00 54.13 55.52 2kd1 s LEU 68 Cb 0.00 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2kd1 s LEU 68 CO 0.00 -0.67 1.18 -1.59 0.23 0.00 0.00 176.35 175.50 2kd1 s LYS 69 N -0.50 3.60 0.44 1.70 -2.85 -1.26 -4.74 119.74 116.12 2kd1 s LYS 69 Ca 0.58 1.81 0.29 0.00 -1.00 0.00 0.00 55.97 57.65 2kd1 s LYS 69 Cb -0.41 -2.31 1.60 0.00 -2.06 0.00 0.00 37.83 34.65 2kd1 s LYS 69 CO 0.44 -0.69 1.90 0.07 0.10 0.00 0.00 175.35 177.17 2kd1 h ARG 70 N 1.81 0.00 0.48 1.78 0.11 -1.95 -0.25 114.38 116.36 2kd1 h ARG 70 Ca -0.50 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2kd1 h ARG 70 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2kd1 h ARG 70 CO 0.59 0.00 -0.23 0.78 0.10 0.00 0.00 179.97 181.21 2kd1 h GLY 71 N 0.02 -0.68 1.01 0.08 0.00 -1.96 0.22 103.07 101.76 2kd1 h GLY 71 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kd1 h GLY 71 CO 0.00 -0.25 0.51 -0.84 0.00 0.00 0.00 176.54 175.96 2kd1 h THR 72 N -0.78 1.21 -0.56 4.70 2.02 -1.45 -1.91 112.91 116.13 2kd1 h THR 72 Ca -0.07 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2kd1 h THR 72 Cb 0.56 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2kd1 h THR 72 CO 0.11 0.21 0.31 0.40 0.37 0.00 0.00 175.52 176.91 2kd1 h ILE 73 N 1.08 1.19 -0.62 3.11 2.04 -1.34 -2.72 117.51 120.25 2kd1 h ILE 73 Ca 0.29 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kd1 h ILE 73 Cb -0.10 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2kd1 h ILE 73 CO -0.06 0.20 0.34 -0.08 0.00 0.00 0.00 178.15 178.55 2kd1 h GLU 74 N 0.76 0.87 0.03 2.37 4.81 -0.48 -1.11 114.58 121.82 2kd1 h GLU 74 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kd1 h GLU 74 Cb 0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2kd1 h GLU 74 CO -0.03 0.65 -0.04 0.87 -0.73 0.00 0.00 179.01 179.73 2kd1 h LYS 75 N 0.85 -0.08 -0.03 1.92 1.57 -1.20 -0.54 116.57 119.05 2kd1 h LYS 75 Ca 0.22 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 2kd1 h LYS 75 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2kd1 h LYS 75 CO -0.04 -0.05 -0.68 -0.84 -0.57 0.00 0.00 179.45 177.27 2kd1 h ILE 76 N -0.08 1.44 -0.42 1.86 3.07 -1.37 -2.36 117.51 119.64 2kd1 h ILE 76 Ca 0.01 -2.21 -0.09 0.00 1.55 0.00 0.00 64.86 64.12 2kd1 h ILE 76 Cb 0.09 2.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.79 2kd1 h ILE 76 CO -0.02 0.64 -0.11 0.40 -1.05 0.00 0.00 178.15 178.01 2kd1 h ILE 77 N 0.10 1.26 -0.50 0.16 1.08 -1.01 -1.54 117.51 117.06 2kd1 h ILE 77 Ca -0.01 -1.16 -0.07 0.00 -0.39 0.00 0.00 64.86 63.23 2kd1 h ILE 77 Cb 1.21 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2kd1 h ILE 77 CO 0.10 0.39 0.03 0.11 -0.69 0.00 0.00 178.15 178.09 2kd1 h LYS 78 N 0.69 0.81 -0.22 2.37 1.79 -0.71 -0.10 116.57 121.20 2kd1 h LYS 78 Ca 0.12 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2kd1 h LYS 78 Cb 0.58 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2kd1 h LYS 78 CO 0.04 0.79 0.02 0.28 -1.08 0.00 0.00 179.45 179.51 2kd1 h VAL 79 N 0.76 1.24 -0.27 0.50 2.07 -1.20 -1.20 116.25 118.14 2kd1 h VAL 79 Ca 0.15 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2kd1 h VAL 79 Cb 0.42 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2kd1 h VAL 79 CO 0.01 0.25 0.06 0.40 0.02 0.00 0.00 177.57 178.31 2kd1 h ILE 80 N 0.17 1.22 -0.60 4.57 2.04 -1.10 -1.00 117.51 122.80 2kd1 h ILE 80 Ca 0.07 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2kd1 h ILE 80 Cb 0.35 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2kd1 h ILE 80 CO 0.01 0.24 0.35 0.03 0.00 0.00 0.00 178.15 178.77 2kd1 h ARG 81 N 0.27 0.65 -0.04 2.37 3.08 -1.05 -1.14 114.38 118.51 2kd1 h ARG 81 Ca 0.08 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2kd1 h ARG 81 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2kd1 h ARG 81 CO 0.00 0.43 -0.49 -0.97 -1.07 0.00 0.00 179.97 177.87 2kd1 h ASN 82 N 0.66 0.11 0.29 7.04 -0.00 -1.02 0.10 115.58 122.77 2kd1 h ASN 82 Ca 0.26 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.49 2kd1 h ASN 82 Cb 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 2kd1 h ASN 82 CO -0.14 0.59 -0.14 0.28 -0.00 0.00 0.00 177.43 178.02 2kd1 h SER 83 N 0.08 -0.33 0.74 1.15 0.02 -0.87 -2.67 113.55 111.68 2kd1 h SER 83 Ca 0.00 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2kd1 h SER 83 Cb 0.90 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2kd1 h SER 83 CO 0.07 -0.05 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.32 2kd1 h LEU 84 N -0.60 0.00 -0.20 5.07 3.38 -0.89 0.45 115.31 122.51 2kd1 h LEU 84 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2kd1 h LEU 84 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2kd1 h LEU 84 CO 0.06 0.31 -0.05 -0.33 0.09 0.00 0.00 178.44 178.53 2kd1 h GLU 85 N 0.00 0.39 0.00 1.13 4.39 -0.87 -2.07 114.58 117.55 2kd1 h GLU 85 Ca -0.00 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 2kd1 h GLU 85 Cb 0.77 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2kd1 h GLU 85 CO 0.04 0.64 -0.23 1.25 -1.16 0.00 0.00 179.01 179.54 2kd1 h HIS 86 N 0.12 0.00 -0.17 4.33 2.76 -1.06 -1.70 115.15 119.43 2kd1 h HIS 86 Ca 0.05 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 2kd1 h HIS 86 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2kd1 h HIS 86 CO 0.05 0.23 -0.70 0.00 -1.30 0.00 0.00 177.93 176.22 2kd1 h ALA 87 N 1.77 0.45 -0.35 5.26 0.00 -0.79 -0.35 119.26 125.25 2kd1 h ALA 87 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 2kd1 h ALA 87 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kd1 h ALA 87 CO 0.03 0.70 -0.17 0.82 0.00 0.00 0.00 179.25 180.63 2kd1 h ILE 88 N 0.50 1.26 -0.72 0.00 2.04 -1.08 0.20 117.51 119.71 2kd1 h ILE 88 Ca -0.03 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 2kd1 h ILE 88 Cb 1.30 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2kd1 h ILE 88 CO 0.14 0.40 0.31 -0.78 0.00 0.00 0.00 178.15 178.21 2kd1 h ASP 89 N 0.57 0.96 0.36 1.72 3.58 -1.16 -2.04 116.42 120.41 2kd1 h ASP 89 Ca 0.09 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kd1 h ASP 89 Cb 0.62 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2kd1 h ASP 89 CO 0.04 0.84 -0.13 0.18 -2.88 0.00 0.00 179.24 177.29 2kd1 n LEU 90 N -4.31 0.53 -1.06 2.28 4.77 -0.15 -4.94 117.00 114.12 2kd1 n LEU 90 Ca 0.07 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2kd1 n LEU 90 Cb 0.16 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2kd1 n LEU 90 CO 0.40 0.10 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.80 2kd1 n GLU 91 N -0.93 -0.94 -0.19 3.23 1.02 -0.20 -4.91 120.64 117.72 2kd1 n GLU 91 Ca 0.14 0.95 -0.10 0.00 -0.02 0.00 0.00 57.16 58.13 2kd1 n GLU 91 Cb 0.29 -5.03 0.01 0.00 -0.02 0.00 0.00 31.44 26.69 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 1.02 -8.48 -4.62 3.38 -0.94 -3.45 115.31 102.21 2kd1 h LEU 92 Ca -0.28 -0.33 -0.25 0.00 0.09 0.00 0.00 57.88 57.11 2kd1 h LEU 92 Cb 0.90 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 2kd1 h LEU 92 CO 0.40 1.11 -0.70 0.27 0.09 0.00 0.00 178.44 179.60 2kd1 s ILE 93 N -4.92 0.80 -1.07 1.22 -4.36 -1.19 -4.89 121.20 106.80 2kd1 s ILE 93 Ca -0.12 -1.93 0.10 0.00 -0.26 0.00 0.00 60.65 58.45 2kd1 s ILE 93 Cb 0.13 -1.68 0.18 0.00 1.25 0.00 0.00 42.46 42.34 2kd1 s ILE 93 CO 0.86 -0.82 1.03 0.35 0.24 0.00 0.00 174.94 176.59 2kd1 n THR 94 N -0.01 0.49 -3.66 8.37 -2.24 -1.26 -3.88 114.28 112.08 2kd1 n THR 94 Ca -0.12 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 60.85 2kd1 n THR 94 Cb 0.60 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.93 0.54 -0.57 -0.78 2.20 -1.26 -5.08 119.74 113.85 2kd1 s LYS 95 Ca 0.17 1.16 -0.21 0.00 -0.36 0.00 0.00 55.97 56.73 2kd1 s LYS 95 Cb 0.10 0.33 0.07 0.00 -1.51 0.00 0.00 37.83 36.82 2kd1 s LYS 95 CO 0.14 -0.18 0.79 1.21 -0.36 0.00 0.00 175.35 176.95 2kd1 s ASN 96 N 2.10 6.22 0.51 1.43 3.84 -1.26 -4.92 114.94 122.86 2kd1 s ASN 96 Ca -0.07 -0.94 0.30 0.00 0.21 0.00 0.00 52.86 52.35 2kd1 s ASN 96 Cb -0.09 -2.35 1.03 0.00 -0.55 0.00 0.00 41.25 39.28 2kd1 s ASN 96 CO -0.17 -1.15 1.86 -0.37 -2.79 0.00 0.00 177.10 174.48 2kd1 h VAL 97 N 5.94 0.00 0.00 -5.21 -1.51 -1.95 -3.13 116.25 110.38 2kd1 h VAL 97 Ca -0.28 -0.66 -0.12 0.00 -1.23 0.00 0.00 66.70 64.41 2kd1 h VAL 97 Cb 1.08 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 2kd1 h VAL 97 CO 1.08 0.00 -0.81 0.00 -1.23 0.00 0.00 177.57 176.61 2kd1 h ALA 98 N 2.01 0.66 0.00 5.19 0.00 -1.92 -3.03 119.26 122.17 2kd1 h ALA 98 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2kd1 h ALA 98 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kd1 h ALA 98 CO 0.00 0.71 -0.24 0.00 0.00 0.00 0.00 179.25 179.72 2kd1 h ALA 99 N 1.48 1.06 0.00 0.00 0.00 -1.90 -2.38 119.26 117.53 2kd1 h ALA 99 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2kd1 h ALA 99 Cb 1.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kd1 h ALA 99 CO 0.06 0.30 -0.21 0.87 0.00 0.00 0.00 179.25 180.27 2kd1 h LYS 100 N 0.00 0.00 -5.28 0.00 1.79 -1.58 -3.42 116.57 108.08 2kd1 h LYS 100 Ca -0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 2kd1 h LYS 100 Cb 0.70 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.20 2kd1 h LYS 100 CO 0.03 0.21 0.48 0.99 -1.08 0.00 0.00 179.45 180.08 2kd1 s THR 101 N -3.27 4.44 0.55 -0.16 2.01 -0.90 -5.04 115.64 113.26 2kd1 s THR 101 Ca 0.04 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 2kd1 s THR 101 Cb 0.07 -4.66 -0.05 0.00 0.01 0.00 0.00 72.50 67.87 2kd1 s THR 101 CO 0.67 -1.40 0.95 -0.54 -0.69 0.00 0.00 174.62 173.61 2kd1 s LYS 102 N 3.73 3.70 0.10 4.92 1.02 -1.26 -4.94 119.74 127.01 2kd1 s LYS 102 Ca 0.21 0.69 -0.31 0.00 0.02 0.00 0.00 55.97 56.57 2kd1 s LYS 102 Cb -0.17 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 2kd1 s LYS 102 CO 0.08 -0.38 1.45 -1.17 -0.92 0.00 0.00 175.35 174.41 2kd1 s LEU 103 N -4.67 4.36 -0.16 3.17 2.96 -1.26 -4.97 118.68 118.10 2kd1 s LEU 103 Ca 0.54 2.36 -0.29 0.00 -0.22 0.00 0.00 54.13 56.52 2kd1 s LEU 103 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2kd1 s LEU 103 CO 0.44 -0.71 1.81 -2.16 -1.32 0.00 0.00 176.35 174.41 2kd1 s PRO 104 N 1.44 3.73 0.42 0.98 0.04 -1.26 -4.98 135.00 135.37 2kd1 s PRO 104 Ca 0.66 1.94 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 2kd1 s PRO 104 Cb -0.38 -4.13 -0.08 0.00 0.04 0.00 0.00 34.50 29.95 2kd1 s PRO 104 CO 0.30 -1.39 1.28 0.15 0.04 0.00 0.00 177.00 177.38 2kd1 s LYS 105 N 4.97 3.91 -0.05 4.56 1.02 -1.26 -4.82 119.74 128.07 2kd1 s LYS 105 Ca 0.81 2.09 0.08 0.00 0.02 0.00 0.00 55.97 58.97 2kd1 s LYS 105 Cb -0.30 -2.69 0.12 0.00 -0.52 0.00 0.00 37.83 34.44 2kd1 s LYS 105 CO 0.33 -0.52 1.02 0.00 -0.92 0.00 0.00 175.35 175.26 2kd1 n ALA 106 N 0.01 2.02 -3.31 5.17 0.00 -1.26 -5.09 120.51 118.05 2kd1 n ALA 106 Ca 0.04 -1.64 -0.16 0.00 0.00 0.00 0.00 53.44 51.69 2kd1 n ALA 106 Cb 0.44 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.55 2kd1 n ALA 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kd1 n ASP 107 N -0.64 1.58 -4.21 0.00 9.92 -1.26 -5.10 116.55 116.83 2kd1 n ASP 107 Ca 0.07 -2.01 -0.37 0.00 -0.53 0.00 0.00 54.79 51.94 2kd1 n ASP 107 Cb 0.62 -0.16 -0.12 0.00 -0.64 0.00 0.00 41.12 40.82 2kd1 n ASP 107 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2kd1 s LYS 108 N -3.49 2.42 0.73 -1.24 -2.85 -1.26 -5.12 119.74 108.93 2kd1 s LYS 108 Ca 0.30 -1.42 -0.11 0.00 -1.00 0.00 0.00 55.97 53.73 2kd1 s LYS 108 Cb -0.02 -3.49 0.03 0.00 -2.06 0.00 0.00 37.83 32.28 2kd1 s LYS 108 CO 0.19 -0.82 1.08 -1.21 0.10 0.00 0.00 175.35 174.69 2kd1 s GLU 109 N 1.31 2.66 -0.94 1.78 8.01 -1.26 -4.96 118.70 125.30 2kd1 s GLU 109 Ca 0.01 0.68 -0.24 0.00 0.01 0.00 0.00 54.97 55.43 2kd1 s GLU 109 Cb -0.21 -1.98 -0.01 0.00 -4.31 0.00 0.00 34.13 27.62 2kd1 s GLU 109 CO -0.00 -1.23 1.75 -1.21 0.01 0.00 0.00 175.26 174.58 2kd1 s GLU 110 N -5.18 2.96 0.25 1.61 2.02 -1.26 -4.84 118.70 114.25 2kd1 s GLU 110 Ca 0.59 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.94 2kd1 s GLU 110 Cb -0.13 -5.15 0.26 0.00 0.10 0.00 0.00 34.13 29.21 2kd1 s GLU 110 CO 0.54 -2.90 1.87 -0.07 0.02 0.00 0.00 175.26 174.72 2kd1 h LEU 111 N 15.86 1.09 -0.01 1.80 3.38 -1.93 -0.30 115.31 135.19 2kd1 h LEU 111 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kd1 h LEU 111 Cb 1.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kd1 h LEU 111 CO 1.29 0.86 -0.01 -0.08 0.09 0.00 0.00 178.44 180.60 2kd1 h GLU 112 N 1.22 0.03 0.00 1.13 4.22 -1.98 -2.17 114.58 117.03 2kd1 h GLU 112 Ca 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.74 2kd1 h GLU 112 Cb 0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kd1 h GLU 112 CO -0.05 0.47 0.00 0.72 -2.18 0.00 0.00 179.01 177.97 2kd1 n HIS 113 N -4.85 0.54 -2.29 0.92 8.25 -1.04 -1.95 115.22 114.81 2kd1 n HIS 113 Ca -0.08 0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 2kd1 n HIS 113 Cb 0.24 -0.83 0.03 0.00 1.12 0.00 0.00 29.99 30.54 2kd1 n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kd1 n HIS 114 N -1.99 2.39 -1.93 4.41 -0.00 -0.15 -5.07 115.22 112.88 2kd1 n HIS 114 Ca 0.03 -2.31 -0.39 0.00 -0.00 0.00 0.00 57.72 55.05 2kd1 n HIS 114 Cb 0.23 -0.29 0.02 0.00 -0.00 0.00 0.00 29.99 29.95 2kd1 n HIS 114 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kd1 s HIS 115 N -3.63 2.55 -0.59 1.57 -3.43 -0.82 -4.89 115.29 106.05 2kd1 s HIS 115 Ca 0.44 1.38 -0.28 0.00 -0.80 0.00 0.00 55.06 55.80 2kd1 s HIS 115 Cb 0.39 -3.73 0.02 0.00 -1.43 0.00 0.00 32.58 27.84 2kd1 s HIS 115 CO -0.00 -2.49 1.27 -1.01 -2.00 0.00 0.00 174.74 170.51 2kd1 s HIS 116 N -1.31 2.47 -1.19 0.38 3.76 -1.26 -4.93 115.29 113.20 2kd1 s HIS 116 Ca 0.64 0.38 -0.21 0.00 -0.15 0.00 0.00 55.06 55.72 2kd1 s HIS 116 Cb -0.39 -4.49 -0.05 0.00 1.11 0.00 0.00 32.58 28.76 2kd1 s HIS 116 CO 0.48 -1.76 1.89 0.72 -0.85 0.00 0.00 174.74 175.22 2kd1 n HIS 117 N 8.89 3.15 1.54 1.40 -0.00 -1.26 -5.25 115.22 123.69 2kd1 n HIS 117 Ca 0.09 -1.85 0.14 0.00 -0.00 0.00 0.00 57.72 56.10 2kd1 n HIS 117 Cb 0.49 -2.56 0.56 0.00 -0.00 0.00 0.00 29.99 28.48 2kd1 n HIS 117 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92