#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdc s ASN 2 N 0.00 5.71 0.00 0.00 -0.87 -1.26 -4.81 114.94 113.72 2kdc s ASN 2 Ca 0.00 1.13 0.04 0.00 -1.57 0.00 0.00 52.86 52.46 2kdc s ASN 2 Cb 0.00 -2.53 0.20 0.00 -0.02 0.00 0.00 41.25 38.90 2kdc s ASN 2 CO 0.00 -1.88 0.88 0.59 -2.57 0.00 0.00 177.10 174.12 2kdc n ASN 3 N 10.99 0.00 -3.22 -1.22 5.03 -1.26 -4.86 115.26 120.72 2kdc n ASN 3 Ca 0.23 0.14 -0.19 0.00 0.87 0.00 0.00 54.58 55.63 2kdc n ASN 3 Cb 0.48 -0.21 0.02 0.00 -1.02 0.00 0.00 39.78 39.05 2kdc n ASN 3 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2kdc n THR 4 N -1.21 -7.60 0.08 3.41 -1.04 -1.26 -4.90 114.28 101.75 2kdc n THR 4 Ca 0.02 0.34 -0.09 0.00 -2.04 0.00 0.00 64.05 62.29 2kdc n THR 4 Cb 0.03 -5.45 -0.07 0.00 -1.82 0.00 0.00 70.33 63.02 2kdc n THR 4 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2kdc h THR 5 N 1.51 1.59 0.00 12.58 1.35 -2.01 -3.44 112.91 124.49 2kdc h THR 5 Ca -0.27 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 2kdc h THR 5 Cb 1.19 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 2kdc h THR 5 CO 0.25 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 2kdc n GLY 6 N 1.15 0.00 0.22 5.82 0.00 -1.26 -5.00 105.19 106.12 2kdc n GLY 6 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2kdc n GLY 6 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2kdc h PHE 7 N 0.00 0.00 -0.66 1.61 0.04 -1.99 -2.53 116.94 113.41 2kdc h PHE 7 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2kdc h PHE 7 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2kdc h PHE 7 CO 0.00 0.23 0.12 1.15 -0.60 0.00 0.00 178.31 179.22 2kdc h THR 8 N 0.00 1.26 -0.89 -1.55 2.02 -1.94 -2.51 112.91 109.30 2kdc h THR 8 Ca -0.00 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2kdc h THR 8 Cb 0.43 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2kdc h THR 8 CO 0.03 0.38 0.59 0.03 0.37 0.00 0.00 175.52 176.92 2kdc h ARG 9 N 1.00 1.13 -0.24 6.66 3.08 -1.87 0.29 114.38 124.44 2kdc h ARG 9 Ca 0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2kdc h ARG 9 Cb 0.42 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kdc h ARG 9 CO 0.01 0.75 0.09 0.82 -1.07 0.00 0.00 179.97 180.56 2kdc h ILE 10 N 1.16 1.18 -0.06 2.04 2.04 -1.43 1.38 117.51 123.82 2kdc h ILE 10 Ca 0.34 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2kdc h ILE 10 Cb -0.07 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2kdc h ILE 10 CO -0.09 0.18 0.01 0.40 0.00 0.00 0.00 178.15 178.65 2kdc h ILE 11 N 0.22 1.22 -0.32 -0.67 2.04 -1.01 -1.85 117.51 117.14 2kdc h ILE 11 Ca 0.08 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2kdc h ILE 11 Cb 0.20 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2kdc h ILE 11 CO -0.00 0.19 -0.13 0.11 0.00 0.00 0.00 178.15 178.31 2kdc h LYS 12 N -0.15 0.56 -0.89 2.37 1.57 -0.37 -2.32 116.57 117.33 2kdc h LYS 12 Ca 0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2kdc h LYS 12 Cb 0.29 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2kdc h LYS 12 CO 0.00 0.68 0.51 0.00 -0.57 0.00 0.00 179.45 180.07 2kdc h ALA 13 N 1.35 1.14 0.00 3.86 0.00 0.20 -0.69 119.26 125.12 2kdc h ALA 13 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kdc h ALA 13 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kdc h ALA 13 CO 0.03 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2kdc n ALA 14 N -2.39 2.05 0.41 0.00 0.00 -0.71 -2.77 120.51 117.09 2kdc n ALA 14 Ca 0.09 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2kdc n ALA 14 Cb 0.08 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.16 2kdc n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kdc n GLY 15 N 0.82 -1.36 4.46 0.00 0.00 -0.38 -4.95 105.19 103.78 2kdc n GLY 15 Ca 0.04 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2kdc n GLY 15 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kdc n TYR 16 N -2.25 -1.30 0.02 1.61 4.02 -0.52 -4.73 117.16 114.00 2kdc n TYR 16 Ca 0.02 0.71 0.22 0.00 -0.01 0.00 0.00 57.90 58.84 2kdc n TYR 16 Cb 0.48 -2.17 0.73 0.00 -0.02 0.00 0.00 39.34 38.36 2kdc n TYR 16 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2kdc h SER 17 N -1.06 0.00 -1.00 7.72 0.02 -1.89 -0.15 113.55 117.19 2kdc h SER 17 Ca -0.60 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.58 2kdc h SER 17 Cb 1.39 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.83 2kdc h SER 17 CO 0.86 0.00 0.63 -0.25 -1.14 0.00 0.00 176.83 176.93 2kdc h TRP 18 N 0.00 0.80 -0.69 3.45 2.91 -1.90 0.37 115.95 120.88 2kdc h TRP 18 Ca 0.25 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.31 2kdc h TRP 18 Cb 1.17 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 2kdc h TRP 18 CO 0.00 0.13 0.46 -0.22 -1.03 0.00 0.00 178.44 177.78 2kdc h LYS 19 N 0.53 0.90 -0.62 2.65 3.64 -1.36 -1.57 116.57 120.73 2kdc h LYS 19 Ca 0.57 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.93 2kdc h LYS 19 Cb 1.22 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 2kdc h LYS 19 CO -0.32 0.59 0.41 0.78 -2.27 0.00 0.00 179.45 178.65 2kdc h GLY 20 N 0.92 0.82 1.81 5.01 0.00 -0.41 -0.97 103.07 110.24 2kdc h GLY 20 Ca 0.26 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 2kdc h GLY 20 CO -0.06 0.24 -0.68 1.41 0.00 0.00 0.00 176.54 177.45 2kdc h LEU 21 N 0.70 0.23 -0.20 3.11 -0.00 -1.24 -1.45 115.31 116.45 2kdc h LEU 21 Ca 0.25 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2kdc h LEU 21 Cb 0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2kdc h LEU 21 CO -0.07 0.83 0.03 0.03 -0.00 0.00 0.00 178.44 179.26 2kdc h ARG 22 N 0.13 0.34 -0.12 1.13 3.08 -0.87 -3.00 114.38 115.08 2kdc h ARG 22 Ca -0.02 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 2kdc h ARG 22 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2kdc h ARG 22 CO 0.10 0.50 -0.55 0.00 -1.07 0.00 0.00 179.97 178.96 2kdc h ALA 23 N 0.82 0.85 -0.76 0.04 0.00 -1.38 -2.95 119.26 115.88 2kdc h ALA 23 Ca 0.06 -0.51 0.22 0.00 0.00 0.00 0.00 54.91 54.68 2kdc h ALA 23 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2kdc h ALA 23 CO 0.01 0.69 0.54 0.00 0.00 0.00 0.00 179.25 180.49 2kdc h ALA 24 N 1.15 2.68 -0.26 0.00 0.00 -1.12 1.06 119.26 122.77 2kdc h ALA 24 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kdc h ALA 24 Cb 1.05 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2kdc h ALA 24 CO 0.09 -0.90 -0.55 2.35 0.00 0.00 0.00 179.25 180.25 2kdc h TRP 25 N 0.03 -1.65 0.00 0.00 2.91 -1.45 0.45 115.95 116.24 2kdc h TRP 25 Ca 0.36 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.45 2kdc h TRP 25 Cb 1.41 0.75 0.00 0.00 -0.51 0.00 0.00 29.16 30.82 2kdc h TRP 25 CO -0.00 -0.52 -1.09 0.44 -1.03 0.00 0.00 178.44 176.25 2kdc n ILE 26 N -5.37 0.11 -1.78 2.65 -5.35 -0.78 0.13 119.36 108.97 2kdc n ILE 26 Ca -0.05 -0.20 -0.32 0.00 -0.27 0.00 0.00 62.75 61.91 2kdc n ILE 26 Cb 0.36 0.35 0.05 0.00 -1.74 0.00 0.00 39.64 38.66 2kdc n ILE 26 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2kdc n ASN 27 N -1.87 6.57 0.00 7.28 2.85 0.36 -4.42 115.26 126.04 2kdc n ASN 27 Ca 0.02 -3.78 0.00 0.00 -0.11 0.00 0.00 54.58 50.71 2kdc n ASN 27 Cb 0.42 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.68 2kdc n ASN 27 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kdc n GLU 28 N -0.73 0.00 0.00 1.20 2.13 -0.19 -4.50 120.64 118.55 2kdc n GLU 28 Ca 0.53 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.45 2kdc n GLU 28 Cb 0.65 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.97 2kdc n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kdc n ALA 29 N 0.00 2.47 -0.58 4.31 0.00 0.14 -4.00 120.51 122.85 2kdc n ALA 29 Ca 0.00 -0.13 0.47 0.00 0.00 0.00 0.00 53.44 53.78 2kdc n ALA 29 Cb 0.00 -1.33 0.79 0.00 0.00 0.00 0.00 19.45 18.91 2kdc n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc h ALA 30 N 3.45 3.58 0.02 0.00 0.00 0.95 1.65 119.26 128.91 2kdc h ALA 30 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2kdc h ALA 30 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2kdc h ALA 30 CO 0.00 -2.09 -1.20 0.35 0.00 0.00 0.00 179.25 176.31 2kdc h PHE 31 N 0.01 0.08 0.00 0.00 3.57 -1.83 -3.36 116.94 115.41 2kdc h PHE 31 Ca 0.82 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 62.25 2kdc h PHE 31 Cb 3.26 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 41.99 2kdc h PHE 31 CO -0.00 1.47 -0.09 0.00 -2.23 0.00 0.00 178.31 177.46 2kdc h ARG 32 N -0.85 0.00 0.91 1.11 3.08 -1.05 -3.03 114.38 114.55 2kdc h ARG 32 Ca -0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 2kdc h ARG 32 Cb 1.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.43 2kdc h ARG 32 CO -0.14 0.09 -0.47 0.37 -1.07 0.00 0.00 179.97 178.75 2kdc h GLN 33 N 0.00 -1.22 -0.26 0.04 -0.00 0.21 0.87 115.11 114.76 2kdc h GLN 33 Ca -0.00 0.08 0.08 0.00 -0.00 0.00 0.00 58.65 58.81 2kdc h GLN 33 Cb 0.40 0.28 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 2kdc h GLN 33 CO 0.01 -0.81 0.67 1.49 0.00 0.00 0.00 178.83 180.19 2kdc h GLU 34 N -1.26 0.00 0.00 1.69 4.81 -1.67 -1.01 114.58 117.14 2kdc h GLU 34 Ca -0.12 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 2kdc h GLU 34 Cb 0.98 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2kdc h GLU 34 CO 0.18 0.00 -1.59 0.41 -0.73 0.00 0.00 179.01 177.29 2kdc n GLY 35 N -1.43 -0.65 0.28 1.92 0.00 -0.62 -4.00 105.19 100.69 2kdc n GLY 35 Ca 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2kdc n GLY 35 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kdc h VAL 36 N -1.00 0.52 0.67 1.61 2.07 0.17 -1.62 116.25 118.67 2kdc h VAL 36 Ca -0.36 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2kdc h VAL 36 Cb 1.24 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2kdc h VAL 36 CO -0.22 0.06 -0.50 0.00 0.02 0.00 0.00 177.57 176.92 2kdc h ALA 37 N 1.62 -1.23 0.00 1.67 0.00 -1.45 -1.26 119.26 118.61 2kdc h ALA 37 Ca 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kdc h ALA 37 Cb 0.75 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kdc h ALA 37 CO -0.50 -1.22 0.89 0.28 0.00 0.00 0.00 179.25 178.70 2kdc n VAL 38 N -5.57 0.00 -0.09 0.00 0.31 -0.62 0.22 118.33 112.58 2kdc n VAL 38 Ca -0.14 0.89 -0.15 0.00 -0.01 0.00 0.00 64.34 64.93 2kdc n VAL 38 Cb 0.49 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 2kdc n VAL 38 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2kdc h LEU 39 N 0.00 0.00 -0.85 7.52 5.85 -1.11 -3.12 115.31 123.60 2kdc h LEU 39 Ca 0.00 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 2kdc h LEU 39 Cb 1.77 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2kdc h LEU 39 CO 0.00 1.17 -0.19 -0.07 -0.34 0.00 0.00 178.44 179.02 2kdc h LEU 40 N -1.00 0.65 -1.23 2.25 3.38 0.31 -2.24 115.31 117.43 2kdc h LEU 40 Ca -0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2kdc h LEU 40 Cb 0.99 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2kdc h LEU 40 CO -0.11 0.84 -0.22 0.00 0.09 0.00 0.00 178.44 179.04 2kdc h ALA 41 N 1.22 1.06 0.18 1.53 0.00 0.80 -3.12 119.26 120.93 2kdc h ALA 41 Ca 0.09 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2kdc h ALA 41 Cb 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kdc h ALA 41 CO 0.05 0.28 -1.56 0.28 0.00 0.00 0.00 179.25 178.29 2kdc h VAL 42 N 0.00 1.16 -0.52 0.00 2.07 -1.40 -2.70 116.25 114.86 2kdc h VAL 42 Ca -0.00 -2.71 0.10 0.00 0.82 0.00 0.00 66.70 64.90 2kdc h VAL 42 Cb 0.69 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 33.24 2kdc h VAL 42 CO 0.03 0.84 0.04 0.58 0.02 0.00 0.00 177.57 179.07 2kdc h VAL 43 N 0.10 0.62 -0.04 2.57 2.07 -1.35 0.16 116.25 120.39 2kdc h VAL 43 Ca -0.27 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2kdc h VAL 43 Cb 2.08 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2kdc h VAL 43 CO 0.20 0.03 -0.35 0.40 0.02 0.00 0.00 177.57 177.87 2kdc h ILE 44 N 0.16 1.46 -0.81 4.57 2.04 -1.69 -3.12 117.51 120.11 2kdc h ILE 44 Ca 0.27 -1.85 0.16 0.00 1.00 0.00 0.00 64.86 64.44 2kdc h ILE 44 Cb 0.40 2.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.88 2kdc h ILE 44 CO -0.41 0.53 0.35 0.00 0.00 0.00 0.00 178.15 178.61 2kdc h ALA 45 N 0.36 1.20 -0.23 1.87 0.00 -1.09 0.57 119.26 121.94 2kdc h ALA 45 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kdc h ALA 45 Cb 1.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2kdc h ALA 45 CO 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 179.25 179.16 2kdc h TRP 47 N 0.16 0.24 -1.33 0.00 2.91 -0.85 -3.43 115.95 113.65 2kdc h TRP 47 Ca 0.10 0.04 0.15 0.00 1.13 0.00 0.00 58.89 60.31 2kdc h TRP 47 Cb 0.08 0.01 -0.30 0.00 -0.51 0.00 0.00 29.16 28.44 2kdc h TRP 47 CO -0.13 -0.11 0.57 -1.17 -1.03 0.00 0.00 178.44 176.57 2kdc s LEU 48 N -10.61 -0.30 -0.29 0.65 2.96 -0.73 -5.13 118.68 105.23 2kdc s LEU 48 Ca -0.13 0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2kdc s LEU 48 Cb 0.22 1.47 0.18 0.00 0.50 0.00 0.00 46.19 48.55 2kdc s LEU 48 CO 0.76 -0.08 0.54 -0.62 -1.32 0.00 0.00 176.35 175.62 2kdc s ASP 49 N 0.95 -0.96 -0.39 3.68 2.15 -1.17 -4.40 116.67 116.53 2kdc s ASP 49 Ca -0.05 0.59 0.11 0.00 0.43 0.00 0.00 52.55 53.63 2kdc s ASP 49 Cb -0.03 1.86 0.39 0.00 -0.30 0.00 0.00 42.92 44.84 2kdc s ASP 49 CO -0.12 -0.28 1.21 1.33 -0.17 0.00 0.00 175.17 177.14 2kdc n VAL 50 N 5.41 0.20 -1.59 1.11 0.24 -1.26 -5.10 118.33 117.34 2kdc n VAL 50 Ca -0.01 -1.96 -0.06 0.00 -2.04 0.00 0.00 64.34 60.27 2kdc n VAL 50 Cb 0.51 0.94 0.04 0.00 -1.47 0.00 0.00 33.84 33.86 2kdc n VAL 50 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kdc n ASP 51 N -0.32 0.12 -0.16 -1.34 8.00 -1.26 -4.95 116.55 116.64 2kdc n ASP 51 Ca 0.02 -1.16 0.11 0.00 0.71 0.00 0.00 54.79 54.47 2kdc n ASP 51 Cb 0.82 -0.20 0.60 0.00 -0.02 0.00 0.00 41.12 42.31 2kdc n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdc n ALA 52 N -3.12 2.60 -0.57 2.24 0.00 -1.26 -4.86 120.51 115.55 2kdc n ALA 52 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kdc n ALA 52 Cb 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2kdc n ALA 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2kdc n ILE 53 N -0.51 0.00 -0.37 0.00 5.41 -1.26 -4.82 119.36 117.80 2kdc n ILE 53 Ca 0.17 0.00 0.30 0.00 1.00 0.00 0.00 62.75 64.22 2kdc n ILE 53 Cb 0.16 -0.20 0.56 0.00 -0.71 0.00 0.00 39.64 39.45 2kdc n ILE 53 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2kdc h THR 54 N 0.00 0.22 -1.02 1.39 2.02 -2.03 0.67 112.91 114.17 2kdc h THR 54 Ca 0.00 -0.07 0.26 0.00 0.77 0.00 0.00 66.41 67.37 2kdc h THR 54 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 2kdc h THR 54 CO 0.00 0.04 0.61 -0.09 0.37 0.00 0.00 175.52 176.45 2kdc h ARG 55 N 0.20 0.50 -0.68 6.66 2.43 -2.00 0.69 114.38 122.19 2kdc h ARG 55 Ca 0.76 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.95 2kdc h ARG 55 Cb 2.08 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 31.46 2kdc h ARG 55 CO -0.51 0.33 0.40 0.28 -1.51 0.00 0.00 179.97 178.95 2kdc h VAL 56 N 0.52 1.01 -0.24 0.20 2.07 -0.02 -2.51 116.25 117.28 2kdc h VAL 56 Ca 0.65 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.97 2kdc h VAL 56 Cb 1.34 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2kdc h VAL 56 CO -0.46 0.14 -0.37 0.25 0.02 0.00 0.00 177.57 177.15 2kdc h LEU 57 N 0.74 -1.17 -0.81 2.57 6.46 -0.96 1.60 115.31 123.74 2kdc h LEU 57 Ca 0.29 0.18 0.14 0.00 -0.12 0.00 0.00 57.88 58.37 2kdc h LEU 57 Cb 0.13 0.51 -0.09 0.00 -0.73 0.00 0.00 40.66 40.47 2kdc h LEU 57 CO -0.15 -0.37 0.40 -0.07 -0.62 0.00 0.00 178.44 177.63 2kdc h LEU 58 N -0.37 0.47 0.31 2.25 3.38 -1.53 0.34 115.31 120.17 2kdc h LEU 58 Ca 0.12 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2kdc h LEU 58 Cb 0.57 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kdc h LEU 58 CO -0.45 0.20 -0.15 0.40 0.09 0.00 0.00 178.44 178.54 2kdc h ILE 59 N 0.59 0.66 -0.81 1.22 2.04 -0.51 -1.85 117.51 118.84 2kdc h ILE 59 Ca 0.44 -0.64 0.18 0.00 1.00 0.00 0.00 64.86 65.83 2kdc h ILE 59 Cb 0.61 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 37.55 2kdc h ILE 59 CO -0.36 0.12 0.32 0.77 0.00 0.00 0.00 178.15 179.00 2kdc h SER 60 N -0.80 0.26 0.55 1.72 4.64 0.30 1.87 113.55 122.08 2kdc h SER 60 Ca -0.04 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2kdc h SER 60 Cb 0.51 0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2kdc h SER 60 CO 0.07 0.04 -0.26 0.28 -0.87 0.00 0.00 176.83 176.09 2kdc h SER 61 N 0.41 -0.62 -0.06 4.97 0.02 -0.33 -2.92 113.55 115.02 2kdc h SER 61 Ca 0.47 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.46 2kdc h SER 61 Cb 0.81 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kdc h SER 61 CO -0.47 -0.38 0.05 0.58 -1.14 0.00 0.00 176.83 175.47 2kdc h VAL 62 N -0.87 0.79 -0.14 2.27 2.07 -0.94 0.06 116.25 119.49 2kdc h VAL 62 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2kdc h VAL 62 Cb 0.56 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2kdc h VAL 62 CO 0.12 0.00 0.10 -0.03 0.02 0.00 0.00 177.57 177.78 2kdc h MET 63 N 0.00 0.02 -0.82 1.57 -1.53 0.31 0.11 114.93 114.60 2kdc h MET 63 Ca 0.03 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.28 2kdc h MET 63 Cb 0.13 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 2kdc h MET 63 CO -0.00 0.02 0.48 -0.07 0.14 0.00 0.00 176.91 177.48 2kdc h LEU 64 N 0.02 0.99 -0.63 3.39 3.38 -0.79 -1.79 115.31 119.89 2kdc h LEU 64 Ca 0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2kdc h LEU 64 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2kdc h LEU 64 CO -0.00 0.77 -0.12 0.58 0.09 0.00 0.00 178.44 179.76 2kdc h VAL 65 N 1.12 1.27 -0.29 1.22 2.07 -0.91 -3.11 116.25 117.62 2kdc h VAL 65 Ca 0.29 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2kdc h VAL 65 Cb -0.03 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2kdc h VAL 65 CO -0.05 0.44 -0.06 0.24 0.02 0.00 0.00 177.57 178.15 2kdc h MET 66 N 0.85 0.01 -0.25 1.57 2.86 -0.45 0.37 114.93 119.89 2kdc h MET 66 Ca 0.13 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2kdc h MET 66 Cb 0.67 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2kdc h MET 66 CO 0.05 0.01 0.50 -0.84 1.06 0.00 0.00 176.91 177.69 2kdc h ILE 67 N 0.01 0.15 0.00 -1.22 3.07 -1.33 2.04 117.51 120.23 2kdc h ILE 67 Ca 0.14 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.33 2kdc h ILE 67 Cb 0.21 0.55 -0.04 0.00 -0.27 0.00 0.00 36.82 37.27 2kdc h ILE 67 CO -0.29 0.00 -1.60 0.52 -1.05 0.00 0.00 178.15 175.72 2kdc n VAL 68 N -3.21 1.29 -0.11 0.16 0.31 0.11 -3.46 118.33 113.43 2kdc n VAL 68 Ca 0.04 -0.73 -0.17 0.00 -0.01 0.00 0.00 64.34 63.47 2kdc n VAL 68 Cb 0.62 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 2kdc n VAL 68 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kdc n GLU 69 N -2.90 0.54 0.39 5.55 1.02 0.31 -3.77 120.64 121.77 2kdc n GLU 69 Ca -0.14 0.32 -0.16 0.00 -0.02 0.00 0.00 57.16 57.16 2kdc n GLU 69 Cb 0.92 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 2kdc n GLU 69 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2kdc h ILE 70 N -1.00 0.09 -0.94 -3.67 2.04 0.25 -1.88 117.51 112.40 2kdc h ILE 70 Ca -0.27 -0.22 0.20 0.00 1.00 0.00 0.00 64.86 65.56 2kdc h ILE 70 Cb 1.16 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 2kdc h ILE 70 CO -0.17 0.01 0.61 0.25 0.00 0.00 0.00 178.15 178.85 2kdc h LEU 71 N -1.21 0.56 -0.14 1.44 5.85 -1.56 2.34 115.31 122.58 2kdc h LEU 71 Ca -0.10 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kdc h LEU 71 Cb 0.79 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2kdc h LEU 71 CO 0.17 0.22 0.00 0.59 -0.34 0.00 0.00 178.44 179.08 2kdc n ASN 72 N -4.60 0.13 -0.10 1.25 4.13 -1.08 -0.64 115.26 114.35 2kdc n ASN 72 Ca 0.21 0.53 -0.20 0.00 1.68 0.00 0.00 54.58 56.80 2kdc n ASN 72 Cb 0.64 -0.56 -0.10 0.00 -1.54 0.00 0.00 39.78 38.22 2kdc n ASN 72 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kdc n SER 73 N -1.65 1.86 0.09 6.41 7.64 0.77 -3.50 113.62 125.24 2kdc n SER 73 Ca 0.03 0.45 -0.13 0.00 1.01 0.00 0.00 58.87 60.23 2kdc n SER 73 Cb 0.18 -0.94 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 2kdc n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kdc h ALA 74 N -0.60 -0.18 -0.72 -0.43 0.00 -0.66 1.68 119.26 118.35 2kdc h ALA 74 Ca -0.31 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.67 2kdc h ALA 74 Cb 1.20 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2kdc h ALA 74 CO -0.19 -0.55 0.17 0.97 0.00 0.00 0.00 179.25 179.65 2kdc h ILE 75 N -0.28 0.54 0.00 0.00 2.10 -1.09 0.24 117.51 119.02 2kdc h ILE 75 Ca -0.02 -0.09 -0.06 0.00 1.08 0.00 0.00 64.86 65.77 2kdc h ILE 75 Cb 0.22 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.18 2kdc h ILE 75 CO 0.03 0.05 -0.35 -0.08 -1.08 0.00 0.00 178.15 176.72 2kdc h GLU 76 N 0.27 0.00 0.27 2.19 4.81 -1.51 -3.34 114.58 117.27 2kdc h GLU 76 Ca 0.40 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2kdc h GLU 76 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2kdc h GLU 76 CO -0.49 0.28 -0.21 0.00 -0.73 0.00 0.00 179.01 177.86 2kdc h ALA 77 N 1.71 -0.47 -0.71 2.92 0.00 0.60 1.87 119.26 125.18 2kdc h ALA 77 Ca -0.01 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2kdc h ALA 77 Cb 1.23 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 2kdc h ALA 77 CO 0.04 -0.78 0.49 -0.24 0.00 0.00 0.00 179.25 178.75 2kdc h VAL 78 N -0.49 0.75 0.00 0.00 3.04 -1.54 0.35 116.25 118.37 2kdc h VAL 78 Ca -0.02 -0.09 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 2kdc h VAL 78 Cb 0.43 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 2kdc h VAL 78 CO -0.01 0.05 -0.92 0.58 -1.01 0.00 0.00 177.57 176.26 2kdc h VAL 79 N 0.25 0.49 0.00 1.51 2.07 -1.35 -3.39 116.25 115.84 2kdc h VAL 79 Ca 0.35 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2kdc h VAL 79 Cb 1.00 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2kdc h VAL 79 CO -0.08 0.28 0.00 -0.67 0.02 0.00 0.00 177.57 177.12 2kdc n ASP 80 N -2.99 0.00 0.00 0.57 2.03 0.62 -4.84 116.55 111.95 2kdc n ASP 80 Ca -0.03 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.38 2kdc n ASP 80 Cb 0.73 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.06 2kdc n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kdc n ARG 81 N 0.00 0.03 -2.22 -0.67 1.74 -1.14 -5.05 116.66 109.35 2kdc n ARG 81 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2kdc n ARG 81 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2kdc n ARG 81 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2kdc n ILE 82 N -1.54 -0.81 -2.92 0.55 3.06 -0.64 -4.95 119.36 112.10 2kdc n ILE 82 Ca 0.04 0.05 -0.13 0.00 -2.50 0.00 0.00 62.75 60.21 2kdc n ILE 82 Cb 0.34 -1.83 0.03 0.00 0.54 0.00 0.00 39.64 38.72 2kdc n ILE 82 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kdc n GLY 83 N 1.95 2.20 3.31 4.50 0.00 -1.26 -5.06 105.19 110.83 2kdc n GLY 83 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2kdc n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kdc n SER 84 N 0.13 -2.35 -4.68 1.61 3.41 -1.26 -4.93 113.62 105.55 2kdc n SER 84 Ca 0.14 -0.21 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 2kdc n SER 84 Cb 0.72 -1.03 0.16 0.00 -0.26 0.00 0.00 64.21 63.80 2kdc n SER 84 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kdc s GLU 85 N -3.79 1.11 0.31 4.33 2.02 -1.26 -4.94 118.70 116.49 2kdc s GLU 85 Ca 0.60 1.32 0.23 0.00 0.02 0.00 0.00 54.97 57.14 2kdc s GLU 85 Cb -0.16 -1.75 0.26 0.00 0.10 0.00 0.00 34.13 32.58 2kdc s GLU 85 CO 0.64 -2.49 1.40 1.88 0.02 0.00 0.00 175.26 176.72 2kdc h TYR 86 N -1.76 0.00 -0.20 1.61 -1.99 -2.07 -3.29 116.97 109.27 2kdc h TYR 86 Ca -0.46 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.33 2kdc h TYR 86 Cb 1.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.99 2kdc h TYR 86 CO 0.49 0.00 0.21 0.45 -0.00 0.00 0.00 178.16 179.31 2kdc h HIS 87 N 0.00 0.00 -1.33 4.88 3.86 -2.03 -3.43 115.15 117.10 2kdc h HIS 87 Ca 0.00 0.00 -0.79 0.00 -1.16 0.00 0.00 60.37 58.42 2kdc h HIS 87 Cb 0.96 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.45 2kdc h HIS 87 CO 0.00 0.00 0.71 -0.85 0.86 0.00 0.00 177.93 178.65 2kdc n GLU 88 N -3.86 0.66 0.00 2.45 0.28 -1.24 -4.30 120.64 114.62 2kdc n GLU 88 Ca 0.02 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2kdc n GLU 88 Cb 0.34 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2kdc n GLU 88 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kdc n LEU 89 N 4.27 0.00 -1.72 -1.84 4.77 -1.26 -4.97 117.00 116.25 2kdc n LEU 89 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2kdc n LEU 89 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kdc n LEU 89 CO 0.80 0.00 0.52 -1.54 -1.33 0.00 0.00 177.39 175.84 2kdc n SER 90 N 0.00 2.78 -1.26 -1.43 3.41 -1.26 -4.89 113.62 110.97 2kdc n SER 90 Ca 0.00 -1.72 0.15 0.00 -0.26 0.00 0.00 58.87 57.03 2kdc n SER 90 Cb 0.00 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 2kdc n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kdc n GLY 91 N 1.71 -2.12 0.13 5.00 0.00 -1.26 -3.72 105.19 104.93 2kdc n GLY 91 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.26 2kdc n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kdc h ARG 92 N -1.33 0.00 0.11 1.61 0.11 -2.00 -3.27 114.38 109.60 2kdc h ARG 92 Ca -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2kdc h ARG 92 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2kdc h ARG 92 CO 0.04 0.13 -0.05 0.00 0.10 0.00 0.00 179.97 180.19 2kdc h ALA 93 N 1.80 -0.14 0.00 0.08 0.00 -2.01 -2.84 119.26 116.15 2kdc h ALA 93 Ca -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2kdc h ALA 93 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2kdc h ALA 93 CO 0.02 -0.47 -0.25 0.87 0.00 0.00 0.00 179.25 179.42 2kdc h LYS 94 N -0.37 0.00 -1.12 0.00 1.57 -1.70 -2.94 116.57 112.01 2kdc h LYS 94 Ca -0.01 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.11 2kdc h LYS 94 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 2kdc h LYS 94 CO 0.02 0.25 0.69 0.22 -0.57 0.00 0.00 179.45 180.06 2kdc h ASP 95 N 0.00 0.40 -0.11 0.86 1.82 -1.55 0.91 116.42 118.76 2kdc h ASP 95 Ca -0.00 0.15 -0.09 0.00 -0.39 0.00 0.00 57.03 56.70 2kdc h ASP 95 Cb 0.52 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2kdc h ASP 95 CO 0.03 -0.11 -0.27 -0.03 -1.61 0.00 0.00 179.24 177.26 2kdc h MET 96 N 0.25 0.38 -0.46 0.28 4.05 -1.62 -3.21 114.93 114.60 2kdc h MET 96 Ca 0.73 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.83 2kdc h MET 96 Cb 1.95 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.77 2kdc h MET 96 CO -0.47 0.86 0.00 0.78 0.23 0.00 0.00 176.91 178.31 2kdc h GLY 97 N -0.06 0.82 -0.23 1.39 0.00 -0.24 -2.61 103.07 102.13 2kdc h GLY 97 Ca -0.00 -0.54 0.31 0.00 0.00 0.00 0.00 47.33 47.10 2kdc h GLY 97 CO 0.06 0.50 0.76 1.76 0.00 0.00 0.00 176.54 179.62 2kdc h SER 98 N 0.71 0.18 0.06 0.19 0.02 0.57 0.51 113.55 115.79 2kdc h SER 98 Ca 0.14 0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 2kdc h SER 98 Cb 0.44 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2kdc h SER 98 CO 0.02 0.03 -1.12 0.00 -1.14 0.00 0.00 176.83 174.62 2kdc h ALA 99 N 1.51 0.17 -0.02 3.77 0.00 -1.57 -3.32 119.26 119.80 2kdc h ALA 99 Ca 0.57 -1.02 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2kdc h ALA 99 Cb 1.92 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 2kdc h ALA 99 CO -0.13 0.65 0.16 0.00 0.00 0.00 0.00 179.25 179.93 2kdc h ALA 100 N -0.17 1.23 0.56 0.00 0.00 -0.59 -2.22 119.26 118.08 2kdc h ALA 100 Ca -0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kdc h ALA 100 Cb 1.49 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.29 2kdc h ALA 100 CO -0.03 -0.17 -0.27 0.28 0.00 0.00 0.00 179.25 179.06 2kdc h VAL 101 N 0.00 0.22 -0.33 0.00 2.07 -0.19 1.78 116.25 119.80 2kdc h VAL 101 Ca 0.01 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2kdc h VAL 101 Cb 0.33 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 2kdc h VAL 101 CO -0.00 0.04 -0.08 0.25 0.02 0.00 0.00 177.57 177.79 2kdc h LEU 102 N -1.09 -0.31 -0.11 2.57 5.85 -1.55 -2.28 115.31 118.40 2kdc h LEU 102 Ca -0.08 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2kdc h LEU 102 Cb 0.64 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2kdc h LEU 102 CO 0.13 -0.11 -0.56 0.16 -0.34 0.00 0.00 178.44 177.72 2kdc h ILE 103 N 0.00 0.99 -0.98 4.05 3.07 -1.56 -3.32 117.51 119.76 2kdc h ILE 103 Ca 0.16 -2.32 0.31 0.00 1.55 0.00 0.00 64.86 64.56 2kdc h ILE 103 Cb 0.24 2.43 -0.18 0.00 -0.27 0.00 0.00 36.82 39.05 2kdc h ILE 103 CO -0.34 0.55 0.19 0.00 -1.05 0.00 0.00 178.15 177.50 2kdc h ALA 104 N 1.44 1.45 -0.37 0.16 0.00 0.34 2.70 119.26 124.98 2kdc h ALA 104 Ca -0.01 0.31 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2kdc h ALA 104 Cb 1.39 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2kdc h ALA 104 CO 0.07 -0.66 -0.33 0.82 0.00 0.00 0.00 179.25 179.15 2kdc h ILE 105 N 0.03 1.28 0.16 0.00 2.04 -1.66 -2.87 117.51 116.49 2kdc h ILE 105 Ca 0.66 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2kdc h ILE 105 Cb 1.49 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2kdc h ILE 105 CO -0.85 0.50 -0.08 0.40 0.00 0.00 0.00 178.15 178.12 2kdc h ILE 106 N 0.70 0.00 0.00 -0.67 2.04 0.38 -3.31 117.51 116.65 2kdc h ILE 106 Ca 0.07 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2kdc h ILE 106 Cb 0.89 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2kdc h ILE 106 CO 0.08 0.00 0.00 1.33 0.00 0.00 0.00 178.15 179.56 2kdc n VAL 107 N -3.88 0.00 -0.39 1.67 0.24 0.50 0.12 118.33 116.60 2kdc n VAL 107 Ca -0.03 1.49 0.30 0.00 -2.04 0.00 0.00 64.34 64.06 2kdc n VAL 107 Cb 0.09 -2.21 0.48 0.00 -1.47 0.00 0.00 33.84 30.73 2kdc n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kdc n ALA 108 N -2.52 1.06 -0.55 2.33 0.00 -1.08 0.17 120.51 119.91 2kdc n ALA 108 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2kdc n ALA 108 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2kdc n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kdc n VAL 109 N -3.52 0.00 -0.27 0.00 0.31 -0.18 -3.92 118.33 110.75 2kdc n VAL 109 Ca 0.27 0.22 0.24 0.00 -0.01 0.00 0.00 64.34 65.07 2kdc n VAL 109 Cb 1.16 -0.93 0.58 0.00 -0.91 0.00 0.00 33.84 33.74 2kdc n VAL 109 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2kdc h ILE 110 N 0.00 0.56 -0.61 2.52 1.08 0.61 0.10 117.51 121.77 2kdc h ILE 110 Ca 0.00 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2kdc h ILE 110 Cb 0.00 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 2kdc h ILE 110 CO 0.00 0.05 0.38 0.00 -0.69 0.00 0.00 178.15 177.89 2kdc h THR 111 N 0.27 1.09 0.00 -0.27 1.03 0.16 0.31 112.91 115.50 2kdc h THR 111 Ca 0.52 -0.26 -0.16 0.00 -0.01 0.00 0.00 66.41 66.50 2kdc h THR 111 Cb 1.54 0.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.86 2kdc h THR 111 CO -0.16 0.14 -0.74 -0.25 -0.01 0.00 0.00 175.52 174.49 2kdc h TRP 112 N 0.76 0.00 0.63 0.00 7.01 -0.99 -2.42 115.95 120.95 2kdc h TRP 112 Ca 0.24 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 2kdc h TRP 112 Cb -0.00 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2kdc h TRP 112 CO -0.05 0.74 -0.30 0.00 -2.79 0.00 0.00 178.44 176.04 2kdc h ILE 114 N -1.11 1.22 -0.80 0.00 -0.00 -1.07 -2.15 117.51 113.60 2kdc h ILE 114 Ca -0.09 -0.65 0.06 0.00 -0.00 0.00 0.00 64.86 64.19 2kdc h ILE 114 Cb 0.69 0.51 -0.05 0.00 -0.00 0.00 0.00 36.82 37.97 2kdc h ILE 114 CO 0.14 0.26 0.52 0.25 -0.00 0.00 0.00 178.15 179.33 2kdc h LEU 115 N 0.84 0.77 -0.61 0.16 5.85 -1.47 -1.28 115.31 119.58 2kdc h LEU 115 Ca 0.21 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2kdc h LEU 115 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2kdc h LEU 115 CO -0.02 0.50 0.15 0.25 -0.34 0.00 0.00 178.44 178.98 2kdc h LEU 116 N 0.88 0.92 -2.39 2.25 5.85 -0.62 -1.80 115.31 120.40 2kdc h LEU 116 Ca 0.34 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2kdc h LEU 116 Cb 0.23 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kdc h LEU 116 CO -0.12 0.91 0.20 -0.50 -0.34 0.00 0.00 178.44 178.59 2kdc h TRP 117 N 0.89 0.00 -0.24 1.25 4.06 -0.73 0.18 115.95 121.35 2kdc h TRP 117 Ca 0.19 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.21 2kdc h TRP 117 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 2kdc h TRP 117 CO 0.03 0.00 0.18 0.77 -3.56 0.00 0.00 178.44 175.85 2kdc h SER 118 N 0.00 0.00 -0.60 -3.49 0.02 -1.18 -0.51 113.55 107.79 2kdc h SER 118 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2kdc h SER 118 Cb 0.41 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2kdc h SER 118 CO -0.00 0.00 0.24 0.45 -1.14 0.00 0.00 176.83 176.38 2kdc h HIS 119 N 0.00 0.94 -1.98 3.45 3.86 -0.80 -3.44 115.15 117.17 2kdc h HIS 119 Ca 0.11 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2kdc h HIS 119 Cb 0.47 -0.29 -0.21 0.00 1.06 0.00 0.00 27.41 28.44 2kdc h HIS 119 CO 0.00 0.73 0.15 0.12 0.86 0.00 0.00 177.93 179.79 2kdc s PHE 120 N -5.41 -0.76 0.00 2.45 2.19 -0.20 -5.20 117.98 111.05 2kdc s PHE 120 Ca -0.10 1.77 0.00 0.00 0.33 0.00 0.00 56.93 58.93 2kdc s PHE 120 Cb 0.16 0.30 0.00 0.00 -1.31 0.00 0.00 43.02 42.17 2kdc s PHE 120 CO 0.80 -0.41 0.00 0.41 1.83 0.00 0.00 175.22 177.85