#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 -1.53 -0.29 0.00 0.01 -1.26 -5.15 114.94 106.73 2kdc s ASN 2 Ca 0.00 0.07 -0.23 0.00 -0.71 0.00 0.00 52.86 51.99 2kdc s ASN 2 Cb 0.00 1.99 0.13 0.00 0.41 0.00 0.00 41.25 43.78 2kdc s ASN 2 CO 0.00 -0.29 1.06 0.21 -1.51 0.00 0.00 177.10 176.57 2kdc s ASN 3 N 2.72 -0.43 -0.42 -1.22 3.84 -1.26 -5.12 114.94 113.06 2kdc s ASN 3 Ca 0.11 0.78 -0.01 0.00 0.21 0.00 0.00 52.86 53.95 2kdc s ASN 3 Cb -0.10 0.89 0.21 0.00 -0.55 0.00 0.00 41.25 41.70 2kdc s ASN 3 CO -0.24 -0.13 0.95 1.07 -2.79 0.00 0.00 177.10 175.96 2kdc n THR 4 N 2.51 0.00 0.00 -5.21 5.66 -1.26 -4.96 114.28 111.02 2kdc n THR 4 Ca -0.14 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 2kdc n THR 4 Cb 0.56 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 2kdc n THR 4 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2kdc n THR 5 N 2.63 0.00 -2.70 1.09 -1.04 -1.26 -5.01 114.28 108.00 2kdc n THR 5 Ca 0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.08 2kdc n THR 5 Cb 0.62 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.23 2kdc n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kdc n GLY 6 N -0.78 1.10 0.13 3.41 0.00 -1.26 -4.99 105.19 102.80 2kdc n GLY 6 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2kdc n GLY 6 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2kdc h PHE 7 N 1.91 0.47 -0.95 1.61 -0.00 -1.94 -3.21 116.94 114.83 2kdc h PHE 7 Ca -0.31 -0.23 0.20 0.00 -0.00 0.00 0.00 57.97 57.63 2kdc h PHE 7 Cb 1.29 -0.07 -0.08 0.00 -0.00 0.00 0.00 35.95 37.10 2kdc h PHE 7 CO 0.12 0.99 0.61 1.15 -0.00 0.00 0.00 178.31 181.18 2kdc h THR 8 N -0.18 0.69 -0.87 0.88 2.02 -2.00 0.35 112.91 113.81 2kdc h THR 8 Ca -0.04 -0.19 0.11 0.00 0.77 0.00 0.00 66.41 67.07 2kdc h THR 8 Cb 1.07 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 2kdc h THR 8 CO 0.08 0.10 0.56 0.03 0.37 0.00 0.00 175.52 176.66 2kdc h ARG 9 N 0.55 0.75 -0.29 6.66 2.47 -1.96 0.38 114.38 122.93 2kdc h ARG 9 Ca 0.51 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 59.15 2kdc h ARG 9 Cb 1.07 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 2kdc h ARG 9 CO -0.25 0.50 0.06 0.82 0.56 0.00 0.00 179.97 181.66 2kdc h ILE 10 N 0.77 1.22 -0.08 2.04 2.04 -0.40 1.24 117.51 124.34 2kdc h ILE 10 Ca 0.41 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2kdc h ILE 10 Cb 0.53 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2kdc h ILE 10 CO -0.18 0.24 -0.00 0.40 0.00 0.00 0.00 178.15 178.61 2kdc h ILE 11 N 0.30 1.26 -0.51 -0.67 5.03 -1.03 -2.13 117.51 119.75 2kdc h ILE 11 Ca 0.09 -0.82 -0.08 0.00 -0.12 0.00 0.00 64.86 63.92 2kdc h ILE 11 Cb 0.30 1.65 -0.02 0.00 -3.03 0.00 0.00 36.82 35.73 2kdc h ILE 11 CO 0.00 0.23 -0.02 0.11 -0.68 0.00 0.00 178.15 177.79 2kdc h LYS 12 N -0.15 0.88 -0.11 2.37 1.79 -0.25 -2.42 116.57 118.69 2kdc h LYS 12 Ca 0.02 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 2kdc h LYS 12 Cb 0.36 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2kdc h LYS 12 CO 0.01 0.89 0.04 0.00 -1.08 0.00 0.00 179.45 179.30 2kdc h ALA 13 N 1.16 1.87 0.00 3.86 0.00 0.17 0.74 119.26 127.05 2kdc h ALA 13 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kdc h ALA 13 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kdc h ALA 13 CO 0.03 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2kdc n ALA 14 N -2.52 1.86 0.87 0.00 0.00 -0.81 -2.95 120.51 116.95 2kdc n ALA 14 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kdc n ALA 14 Cb 0.11 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.41 0.93 0.09 0.00 0.00 0.25 -2.30 105.19 104.57 2kdc n GLY 15 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.04 0.00 -0.28 1.61 4.01 -1.15 -4.90 117.16 116.49 2kdc n TYR 16 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2kdc n TYR 16 Cb 0.17 0.03 0.18 0.00 -0.31 0.00 0.00 39.34 39.42 2kdc n TYR 16 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kdc h SER 17 N 0.00 0.51 -0.71 7.72 4.64 -1.62 -0.51 113.55 123.58 2kdc h SER 17 Ca 0.00 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2kdc h SER 17 Cb 1.05 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 2kdc h SER 17 CO 0.00 0.25 0.32 -0.50 -0.87 0.00 0.00 176.83 176.03 2kdc h TRP 18 N 0.63 0.56 -0.42 4.77 4.06 -1.90 0.32 115.95 123.97 2kdc h TRP 18 Ca 0.41 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 61.26 2kdc h TRP 18 Cb 0.51 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2kdc h TRP 18 CO -0.10 0.15 -0.25 0.87 -3.56 0.00 0.00 178.44 175.55 2kdc h LYS 19 N 0.52 0.91 0.00 0.49 1.57 -1.54 -2.75 116.57 115.77 2kdc h LYS 19 Ca 0.36 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2kdc h LYS 19 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2kdc h LYS 19 CO -0.32 1.07 -0.09 0.78 -0.57 0.00 0.00 179.45 180.33 2kdc h GLY 20 N 0.73 0.00 0.79 3.86 0.00 -0.03 -2.55 103.07 105.87 2kdc h GLY 20 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 2kdc h GLY 20 CO 0.07 0.00 -0.22 -2.00 0.00 0.00 0.00 176.54 174.39 2kdc h LEU 21 N 0.00 0.47 -0.69 3.11 5.85 -0.12 -1.63 115.31 122.30 2kdc h LEU 21 Ca -0.00 -0.51 -0.12 0.00 0.84 0.00 0.00 57.88 58.08 2kdc h LEU 21 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2kdc h LEU 21 CO 0.01 0.90 -0.27 -0.09 -0.34 0.00 0.00 178.44 178.65 2kdc h ARG 22 N 0.07 0.72 0.00 1.25 2.43 -1.41 -2.77 114.38 114.67 2kdc h ARG 22 Ca 0.02 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 2kdc h ARG 22 Cb 0.79 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2kdc h ARG 22 CO 0.05 0.91 -0.41 0.00 -1.51 0.00 0.00 179.97 179.01 2kdc h ALA 23 N 1.08 1.19 -0.73 2.80 0.00 -1.46 -3.05 119.26 119.10 2kdc h ALA 23 Ca 0.08 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 54.74 2kdc h ALA 23 Cb 0.77 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2kdc h ALA 23 CO 0.06 0.51 0.29 0.00 0.00 0.00 0.00 179.25 180.12 2kdc h ALA 24 N 1.59 1.00 0.52 0.00 0.00 -0.99 0.38 119.26 121.76 2kdc h ALA 24 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2kdc h ALA 24 Cb 0.79 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kdc h ALA 24 CO 0.05 -0.18 -0.25 -1.49 0.00 0.00 0.00 179.25 177.38 2kdc h TRP 25 N 0.46 -0.64 -0.02 0.00 6.55 -1.62 -2.49 115.95 118.19 2kdc h TRP 25 Ca 0.39 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.22 2kdc h TRP 25 Cb 0.55 0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 29.06 2kdc h TRP 25 CO -0.16 -0.32 0.11 0.82 -1.05 0.00 0.00 178.44 177.84 2kdc h ILE 26 N -0.91 0.07 -1.17 1.49 2.04 -1.48 1.04 117.51 118.58 2kdc h ILE 26 Ca -0.07 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.13 2kdc h ILE 26 Cb 0.61 0.89 -0.33 0.00 -0.74 0.00 0.00 36.82 37.25 2kdc h ILE 26 CO 0.12 0.00 0.33 0.59 0.00 0.00 0.00 178.15 179.18 2kdc n ASN 27 N -3.13 6.69 0.00 1.72 5.03 0.13 -4.30 115.26 121.40 2kdc n ASN 27 Ca -0.02 -3.78 0.00 0.00 0.87 0.00 0.00 54.58 51.64 2kdc n ASN 27 Cb 0.18 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 38.15 2kdc n ASN 27 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2kdc n GLU 28 N -0.75 0.00 0.00 3.52 2.13 -0.31 -4.89 120.64 120.33 2kdc n GLU 28 Ca 0.54 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.42 2kdc n GLU 28 Cb 0.66 0.00 0.33 0.00 0.27 0.00 0.00 31.44 32.69 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 2.22 -0.57 4.31 0.00 0.26 -4.03 120.51 122.69 2kdc n ALA 29 Ca 0.00 -0.07 0.45 0.00 0.00 0.00 0.00 53.44 53.82 2kdc n ALA 29 Cb 0.00 -1.18 0.72 0.00 0.00 0.00 0.00 19.45 18.99 2kdc n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc n ALA 30 N -0.76 1.58 -0.07 0.00 0.00 0.29 0.19 120.51 121.73 2kdc n ALA 30 Ca 0.08 0.72 -0.22 0.00 0.00 0.00 0.00 53.44 54.02 2kdc n ALA 30 Cb 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2kdc n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kdc n PHE 31 N -4.21 0.97 0.26 0.00 -0.00 -1.26 -4.05 117.46 109.18 2kdc n PHE 31 Ca 0.41 0.32 0.12 0.00 -0.00 0.00 0.00 57.45 58.30 2kdc n PHE 31 Cb 1.73 -1.11 0.70 0.00 -0.00 0.00 0.00 39.48 40.80 2kdc n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2kdc h ARG 32 N -0.58 0.00 0.91 -4.13 3.08 -0.66 -2.82 114.38 110.18 2kdc h ARG 32 Ca -0.42 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 2kdc h ARG 32 Cb 1.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.67 2kdc h ARG 32 CO -0.12 0.12 -0.44 0.37 -1.07 0.00 0.00 179.97 178.83 2kdc h GLN 33 N 0.00 -1.18 -0.62 0.04 4.15 0.19 0.32 115.11 118.01 2kdc h GLN 33 Ca -0.00 0.08 0.18 0.00 0.77 0.00 0.00 58.65 59.68 2kdc h GLN 33 Cb 0.33 0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2kdc h GLN 33 CO 0.02 -0.79 1.07 0.93 -1.93 0.00 0.00 178.83 178.12 2kdc h GLU 34 N -1.23 0.00 0.01 1.69 3.07 -1.64 0.42 114.58 116.91 2kdc h GLU 34 Ca -0.12 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.38 2kdc h GLU 34 Cb 0.94 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 2kdc h GLU 34 CO 0.20 0.00 -1.98 0.41 -1.40 0.00 0.00 179.01 176.24 2kdc n GLY 35 N -1.62 -0.61 0.36 -3.84 0.00 -0.48 -3.89 105.19 95.11 2kdc n GLY 35 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.80 1.02 0.00 1.61 2.07 0.36 -2.62 116.25 117.89 2kdc h VAL 36 Ca -0.53 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2kdc h VAL 36 Cb 1.56 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kdc h VAL 36 CO -0.26 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.52 2kdc n ALA 37 N -2.36 -0.33 0.26 1.67 0.00 -0.03 -1.35 120.51 118.38 2kdc n ALA 37 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kdc n ALA 37 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2kdc n ALA 37 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kdc n VAL 38 N -1.83 0.00 -0.08 0.00 3.14 -1.21 0.16 118.33 118.51 2kdc n VAL 38 Ca 0.00 0.90 -0.10 0.00 -2.96 0.00 0.00 64.34 62.18 2kdc n VAL 38 Cb 0.00 -1.90 -0.05 0.00 -1.06 0.00 0.00 33.84 30.83 2kdc n VAL 38 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2kdc h LEU 39 N 0.00 0.00 -0.96 6.55 5.85 -1.29 -3.10 115.31 122.36 2kdc h LEU 39 Ca 0.00 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 2kdc h LEU 39 Cb 1.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 2kdc h LEU 39 CO 0.00 0.96 -0.21 0.25 -0.34 0.00 0.00 178.44 179.10 2kdc h LEU 40 N -1.00 0.52 -1.25 2.25 5.85 0.26 -0.41 115.31 121.53 2kdc h LEU 40 Ca -0.10 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 2kdc h LEU 40 Cb 0.71 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2kdc h LEU 40 CO -0.06 0.73 -0.22 0.00 -0.34 0.00 0.00 178.44 178.55 2kdc h ALA 41 N 1.31 1.07 0.11 1.25 0.00 0.14 -3.04 119.26 120.10 2kdc h ALA 41 Ca 0.07 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 2kdc h ALA 41 Cb 0.62 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kdc h ALA 41 CO 0.04 0.27 -1.88 0.28 0.00 0.00 0.00 179.25 177.97 2kdc h VAL 42 N 0.00 0.74 -0.39 0.00 2.07 -1.35 -2.97 116.25 114.35 2kdc h VAL 42 Ca -0.00 -2.47 0.06 0.00 0.82 0.00 0.00 66.70 65.11 2kdc h VAL 42 Cb 0.68 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 2kdc h VAL 42 CO 0.03 0.81 0.09 0.58 0.02 0.00 0.00 177.57 179.10 2kdc h VAL 43 N 0.06 0.81 -0.07 2.57 2.07 -1.04 0.35 116.25 121.01 2kdc h VAL 43 Ca -0.37 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2kdc h VAL 43 Cb 2.04 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2kdc h VAL 43 CO 0.10 0.04 -0.17 0.40 0.02 0.00 0.00 177.57 177.96 2kdc h ILE 44 N 0.22 1.41 -0.83 4.57 2.04 -1.70 -2.99 117.51 120.24 2kdc h ILE 44 Ca 0.19 -1.50 0.12 0.00 1.00 0.00 0.00 64.86 64.67 2kdc h ILE 44 Cb 0.21 2.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 2kdc h ILE 44 CO -0.24 0.42 0.54 0.00 0.00 0.00 0.00 178.15 178.88 2kdc h ALA 45 N 0.48 1.83 -0.34 1.87 0.00 -1.31 -0.88 119.26 120.91 2kdc h ALA 45 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kdc h ALA 45 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kdc h ALA 45 CO 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.41 2kdc h TRP 47 N 0.40 0.00 0.00 0.00 2.91 -1.00 -3.33 115.95 114.93 2kdc h TRP 47 Ca 0.11 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2kdc h TRP 47 Cb 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2kdc h TRP 47 CO -0.01 0.00 0.00 1.28 -1.03 0.00 0.00 178.44 178.68 2kdc n LEU 48 N -3.48 -0.03 -2.45 0.65 4.77 -0.87 -5.13 117.00 110.46 2kdc n LEU 48 Ca 0.29 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 2kdc n LEU 48 Cb 1.64 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.82 2kdc n LEU 48 CO 0.30 -0.56 -0.26 -0.67 -1.33 0.00 0.00 177.39 174.87 2kdc n ASP 49 N -2.71 -6.56 -0.25 -1.43 -0.08 0.79 -5.01 116.55 101.31 2kdc n ASP 49 Ca 0.00 0.91 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 2kdc n ASP 49 Cb 0.00 -4.31 0.00 0.00 2.34 0.00 0.00 41.12 39.15 2kdc n ASP 49 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2kdc n VAL 50 N 0.29 0.00 -1.30 5.18 0.24 -1.26 -5.06 118.33 116.43 2kdc n VAL 50 Ca 0.02 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.96 2kdc n VAL 50 Cb 0.10 0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.78 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 0.00 -1.42 -0.03 -1.34 8.00 -1.26 -4.97 116.55 115.53 2kdc n ASP 51 Ca 0.00 0.61 -0.01 0.00 0.71 0.00 0.00 54.79 56.10 2kdc n ASP 51 Cb 0.53 -1.18 -0.00 0.00 -0.02 0.00 0.00 41.12 40.45 2kdc n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdc h ALA 52 N -0.24 0.00 0.00 2.24 0.00 -2.03 -3.49 119.26 115.74 2kdc h ALA 52 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kdc h ALA 52 Cb 1.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kdc h ALA 52 CO 0.43 0.12 0.00 1.51 0.00 0.00 0.00 179.25 181.31 2kdc n ILE 53 N -3.33 0.00 -0.28 0.00 0.00 -1.26 -4.97 119.36 109.53 2kdc n ILE 53 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 62.75 62.82 2kdc n ILE 53 Cb 0.06 0.00 0.23 0.00 0.00 0.00 0.00 39.64 39.93 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 0.36 -0.15 9.51 2.02 -1.99 0.80 112.91 123.45 2kdc h THR 54 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2kdc h THR 54 Cb 0.00 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2kdc h THR 54 CO 0.00 0.03 -0.02 -0.09 0.37 0.00 0.00 175.52 175.82 2kdc h ARG 55 N 0.19 0.28 -0.58 6.66 2.43 -1.99 -3.02 114.38 118.35 2kdc h ARG 55 Ca 0.48 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 2kdc h ARG 55 Cb 0.92 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 2kdc h ARG 55 CO -0.63 0.54 0.29 0.28 -1.51 0.00 0.00 179.97 178.94 2kdc h VAL 56 N -0.01 0.93 -0.52 0.20 2.07 -1.12 -2.26 116.25 115.54 2kdc h VAL 56 Ca 0.04 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.47 2kdc h VAL 56 Cb 0.42 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 30.43 2kdc h VAL 56 CO 0.01 0.10 -0.16 0.25 0.02 0.00 0.00 177.57 177.79 2kdc h LEU 57 N 0.55 -0.59 -0.36 2.57 5.85 0.56 0.85 115.31 124.74 2kdc h LEU 57 Ca 0.26 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.23 2kdc h LEU 57 Cb 0.19 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 2kdc h LEU 57 CO -0.19 -0.20 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.47 2kdc h LEU 58 N -0.04 -0.59 0.53 2.25 -0.00 -1.29 0.84 115.31 117.02 2kdc h LEU 58 Ca 0.25 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 58.24 2kdc h LEU 58 Cb 0.42 0.32 0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2kdc h LEU 58 CO -0.55 -0.21 -0.25 0.40 -0.00 0.00 0.00 178.44 177.82 2kdc h ILE 59 N -0.11 0.43 -0.44 1.22 1.08 -0.80 0.46 117.51 119.35 2kdc h ILE 59 Ca 0.18 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2kdc h ILE 59 Cb 0.39 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 34.57 2kdc h ILE 59 CO -0.43 0.04 -0.24 -1.28 -0.69 0.00 0.00 178.15 175.54 2kdc h SER 60 N -0.87 -0.82 0.54 1.72 0.87 0.11 1.60 113.55 116.71 2kdc h SER 60 Ca -0.07 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2kdc h SER 60 Cb 0.60 0.43 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2kdc h SER 60 CO 0.12 -0.26 -0.26 0.28 -0.53 0.00 0.00 176.83 176.18 2kdc h SER 61 N -0.15 -0.62 -0.60 6.23 0.02 0.75 -2.88 113.55 116.30 2kdc h SER 61 Ca 0.21 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.34 2kdc h SER 61 Cb 0.48 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2kdc h SER 61 CO -0.53 -0.36 0.42 0.58 -1.14 0.00 0.00 176.83 175.80 2kdc h VAL 62 N -0.90 0.72 -0.35 2.27 2.07 0.11 0.15 116.25 120.31 2kdc h VAL 62 Ca -0.07 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2kdc h VAL 62 Cb 0.56 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2kdc h VAL 62 CO 0.12 0.01 0.04 -0.03 0.02 0.00 0.00 177.57 177.73 2kdc h MET 63 N 0.04 0.53 -0.10 1.57 -1.53 0.24 -1.19 114.93 114.48 2kdc h MET 63 Ca 0.28 -0.10 -0.02 0.00 -3.44 0.00 0.00 59.70 56.42 2kdc h MET 63 Cb 1.08 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 32.04 2kdc h MET 63 CO -0.01 0.52 -0.02 -0.07 0.14 0.00 0.00 176.91 177.47 2kdc h LEU 64 N 0.51 0.19 -1.63 3.39 3.38 -0.48 -2.69 115.31 117.99 2kdc h LEU 64 Ca 0.12 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2kdc h LEU 64 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2kdc h LEU 64 CO 0.00 0.50 0.28 0.58 0.09 0.00 0.00 178.44 179.90 2kdc h VAL 65 N -0.11 1.06 -0.42 1.22 2.07 -1.34 -1.96 116.25 116.77 2kdc h VAL 65 Ca 0.03 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2kdc h VAL 65 Cb 0.41 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2kdc h VAL 65 CO 0.01 0.09 0.23 0.24 0.02 0.00 0.00 177.57 178.16 2kdc h MET 66 N 0.50 0.58 -0.67 1.57 2.86 -0.98 -1.25 114.93 117.54 2kdc h MET 66 Ca 0.17 -0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.93 2kdc h MET 66 Cb 0.06 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2kdc h MET 66 CO -0.04 0.47 0.89 0.82 1.06 0.00 0.00 176.91 180.11 2kdc h ILE 67 N 0.54 0.12 0.02 -1.22 1.08 -1.03 2.19 117.51 119.20 2kdc h ILE 67 Ca 0.15 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.31 2kdc h ILE 67 Cb 0.06 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.02 2kdc h ILE 67 CO -0.02 0.00 -1.80 0.52 -0.69 0.00 0.00 178.15 176.15 2kdc n VAL 68 N -3.30 1.62 -0.10 1.67 0.31 -0.51 -3.52 118.33 114.51 2kdc n VAL 68 Ca 0.14 -0.78 -0.15 0.00 -0.01 0.00 0.00 64.34 63.55 2kdc n VAL 68 Cb 1.12 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 -3.10 0.52 0.31 5.55 1.02 0.61 -3.69 120.64 121.86 2kdc n GLU 69 Ca -0.20 0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 2kdc n GLU 69 Cb 1.06 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 30.77 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 0.22 -0.92 -3.67 2.04 0.21 -1.83 117.51 112.56 2kdc h ILE 70 Ca -0.22 -0.35 0.20 0.00 1.00 0.00 0.00 64.86 65.48 2kdc h ILE 70 Cb 1.02 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2kdc h ILE 70 CO -0.13 0.03 0.60 0.25 0.00 0.00 0.00 178.15 178.90 2kdc h LEU 71 N -1.09 0.47 -0.50 1.44 5.85 -1.58 2.22 115.31 122.12 2kdc h LEU 71 Ca -0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kdc h LEU 71 Cb 0.67 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2kdc h LEU 71 CO 0.13 0.19 0.00 -3.20 -0.34 0.00 0.00 178.44 175.22 2kdc n ASN 72 N -4.54 0.56 -0.10 1.25 4.05 -1.12 -1.49 115.26 113.88 2kdc n ASN 72 Ca 0.20 0.63 -0.17 0.00 0.45 0.00 0.00 54.58 55.68 2kdc n ASN 72 Cb 0.67 -0.75 -0.08 0.00 1.23 0.00 0.00 39.78 40.85 2kdc n ASN 72 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2kdc n SER 73 N -2.11 1.85 0.12 1.20 2.88 0.72 -3.63 113.62 114.64 2kdc n SER 73 Ca 0.03 0.48 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2kdc n SER 73 Cb 0.25 -0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 62.70 2kdc n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kdc h ALA 74 N -0.68 -0.23 -1.00 -1.46 0.00 -0.58 1.63 119.26 116.94 2kdc h ALA 74 Ca -0.26 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.72 2kdc h ALA 74 Cb 1.09 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2kdc h ALA 74 CO -0.16 -0.58 0.62 -0.84 0.00 0.00 0.00 179.25 178.29 2kdc h ILE 75 N -0.33 0.80 0.00 0.00 -0.00 -1.49 0.26 117.51 116.76 2kdc h ILE 75 Ca -0.02 -0.29 -0.10 0.00 -0.00 0.00 0.00 64.86 64.44 2kdc h ILE 75 Cb 0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 36.82 36.93 2kdc h ILE 75 CO 0.04 0.16 -0.67 -0.08 -0.00 0.00 0.00 178.15 177.59 2kdc h GLU 76 N 0.85 0.00 0.09 0.16 4.81 -1.52 -3.33 114.58 115.64 2kdc h GLU 76 Ca 0.54 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.78 2kdc h GLU 76 Cb 0.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2kdc h GLU 76 CO -0.32 0.39 -0.13 0.00 -0.73 0.00 0.00 179.01 178.22 2kdc h ALA 77 N 1.55 -0.23 -0.75 2.92 0.00 0.59 1.46 119.26 124.79 2kdc h ALA 77 Ca -0.04 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2kdc h ALA 77 Cb 1.37 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2kdc h ALA 77 CO 0.05 -0.66 0.52 0.28 0.00 0.00 0.00 179.25 179.45 2kdc h VAL 78 N -0.27 0.70 0.00 0.00 2.07 -1.46 0.42 116.25 117.71 2kdc h VAL 78 Ca 0.02 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 2kdc h VAL 78 Cb 0.28 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2kdc h VAL 78 CO -0.07 0.04 -1.00 0.58 0.02 0.00 0.00 177.57 177.14 2kdc h VAL 79 N 0.20 0.61 0.00 2.57 2.07 -1.17 -3.39 116.25 117.14 2kdc h VAL 79 Ca 0.37 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2kdc h VAL 79 Cb 1.16 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2kdc h VAL 79 CO -0.07 0.35 0.00 0.47 0.02 0.00 0.00 177.57 178.34 2kdc n ASP 80 N -3.02 0.00 -0.00 0.57 8.00 0.48 -4.85 116.55 117.74 2kdc n ASP 80 Ca -0.04 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.55 2kdc n ASP 80 Cb 0.77 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.76 2kdc n ASP 80 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kdc n ARG 81 N 0.00 0.54 -2.29 -1.24 1.74 -1.15 -5.05 116.66 109.21 2kdc n ARG 81 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kdc n ARG 81 Cb 0.00 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.47 -0.87 -3.07 0.55 3.06 -0.75 -4.96 119.36 111.86 2kdc n ILE 82 Ca 0.04 0.07 -0.19 0.00 -2.50 0.00 0.00 62.75 60.16 2kdc n ILE 82 Cb 0.31 -1.90 -0.03 0.00 0.54 0.00 0.00 39.64 38.56 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 1.93 2.11 0.96 4.50 0.00 -1.26 -4.89 105.19 108.54 2kdc n GLY 83 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 2kdc n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kdc n SER 84 N 1.40 -0.68 -0.01 1.61 7.64 -1.26 -5.02 113.62 117.30 2kdc n SER 84 Ca 0.18 -1.36 -0.00 0.00 1.01 0.00 0.00 58.87 58.70 2kdc n SER 84 Cb 0.57 0.22 -0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2kdc n SER 84 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kdc h GLU 85 N 0.06 0.00 -1.18 1.43 5.08 -1.93 -3.39 114.58 114.65 2kdc h GLU 85 Ca -0.37 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.33 2kdc h GLU 85 Cb 1.11 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 2kdc h GLU 85 CO -0.18 0.00 0.82 0.10 -1.00 0.00 0.00 179.01 178.74 2kdc h TYR 86 N -0.10 0.24 0.00 4.33 -0.00 -2.00 0.80 116.97 120.23 2kdc h TYR 86 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2kdc h TYR 86 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.71 2kdc h TYR 86 CO -0.02 0.00 0.09 1.58 -0.00 0.00 0.00 178.16 179.81 2kdc n HIS 87 N -4.34 0.04 -3.69 0.10 -0.00 -1.26 -3.65 115.22 102.42 2kdc n HIS 87 Ca 0.27 0.02 -0.30 0.00 0.46 0.00 0.00 57.72 58.17 2kdc n HIS 87 Cb 1.17 -0.45 -0.14 0.00 -0.12 0.00 0.00 29.99 30.46 2kdc n HIS 87 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2kdc s GLU 88 N -2.87 0.95 -0.06 1.57 2.12 0.28 -4.93 118.70 115.76 2kdc s GLU 88 Ca -0.00 -1.53 0.14 0.00 0.36 0.00 0.00 54.97 53.95 2kdc s GLU 88 Cb 0.00 -2.05 -0.21 0.00 0.26 0.00 0.00 34.13 32.13 2kdc s GLU 88 CO 0.01 -1.10 0.24 -0.11 -0.54 0.00 0.00 175.26 173.76 2kdc n LEU 89 N 4.16 0.00 -1.67 2.70 7.94 -1.24 -4.55 117.00 124.34 2kdc n LEU 89 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2kdc n LEU 89 Cb 0.38 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2kdc n LEU 89 CO 0.18 0.11 0.51 -1.54 -1.11 0.00 0.00 177.39 175.54 2kdc n SER 90 N -2.19 2.75 -1.29 1.96 3.41 -1.26 -4.89 113.62 112.11 2kdc n SER 90 Ca -0.09 -1.69 0.15 0.00 -0.26 0.00 0.00 58.87 56.97 2kdc n SER 90 Cb 0.58 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.65 -2.31 0.14 5.00 0.00 -1.26 -3.72 105.19 104.69 2kdc n GLY 91 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.35 0.00 0.07 1.61 0.11 -1.91 -3.24 114.38 109.67 2kdc h ARG 92 Ca -0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.98 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 0.05 0.12 -0.03 0.00 0.10 0.00 0.00 179.97 180.20 2kdc h ALA 93 N 1.83 -0.09 -0.15 0.08 0.00 -2.01 -2.97 119.26 115.94 2kdc h ALA 93 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2kdc h ALA 93 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kdc h ALA 93 CO 0.02 -0.44 -0.26 -0.22 0.00 0.00 0.00 179.25 178.34 2kdc h LYS 94 N -0.31 0.28 -1.28 0.00 3.64 -1.69 -2.98 116.57 114.23 2kdc h LYS 94 Ca -0.01 -0.10 0.44 0.00 -1.27 0.00 0.00 60.65 59.71 2kdc h LYS 94 Cb 0.27 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.93 2kdc h LYS 94 CO 0.02 0.53 0.81 0.22 -2.27 0.00 0.00 179.45 178.76 2kdc h ASP 95 N 0.25 0.26 -0.08 4.20 1.82 -1.54 1.36 116.42 122.68 2kdc h ASP 95 Ca 0.04 0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 56.72 2kdc h ASP 95 Cb 0.61 0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.78 2kdc h ASP 95 CO 0.04 -0.23 -0.43 0.24 -1.61 0.00 0.00 179.24 177.25 2kdc h MET 96 N 0.07 0.43 -0.50 0.28 2.86 -1.61 -3.23 114.93 113.23 2kdc h MET 96 Ca 0.84 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 58.05 2kdc h MET 96 Cb 2.55 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 34.27 2kdc h MET 96 CO -0.49 0.99 0.02 0.78 1.06 0.00 0.00 176.91 179.28 2kdc h GLY 97 N -0.02 0.89 0.02 8.32 0.00 0.13 -1.62 103.07 110.79 2kdc h GLY 97 Ca -0.03 -0.59 0.28 0.00 0.00 0.00 0.00 47.33 46.99 2kdc h GLY 97 CO 0.09 0.55 0.70 1.76 0.00 0.00 0.00 176.54 179.63 2kdc h SER 98 N 0.77 0.11 0.00 0.19 0.02 0.56 1.26 113.55 116.47 2kdc h SER 98 Ca 0.15 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.81 2kdc h SER 98 Cb 0.44 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 2kdc h SER 98 CO 0.02 0.03 -1.76 0.00 -1.14 0.00 0.00 176.83 173.98 2kdc n ALA 99 N -2.67 0.95 0.28 3.77 0.00 -1.06 -4.07 120.51 117.71 2kdc n ALA 99 Ca 0.21 -0.77 0.17 0.00 0.00 0.00 0.00 53.44 53.05 2kdc n ALA 99 Cb 0.99 -0.20 0.94 0.00 0.00 0.00 0.00 19.45 21.18 2kdc n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc h ALA 100 N -0.77 1.51 0.34 0.00 0.00 -0.77 -2.40 119.26 117.18 2kdc h ALA 100 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2kdc h ALA 100 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kdc h ALA 100 CO -0.28 -0.09 -0.16 -0.24 0.00 0.00 0.00 179.25 178.47 2kdc h VAL 101 N 0.00 0.00 -0.61 0.00 3.04 0.14 0.30 116.25 119.12 2kdc h VAL 101 Ca 0.02 -0.64 0.02 0.00 -1.01 0.00 0.00 66.70 65.09 2kdc h VAL 101 Cb 0.15 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.40 2kdc h VAL 101 CO -0.00 0.00 0.38 0.25 -1.01 0.00 0.00 177.57 177.19 2kdc h LEU 102 N -1.10 0.64 -0.42 3.16 5.85 -1.68 -2.15 115.31 119.61 2kdc h LEU 102 Ca -0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kdc h LEU 102 Cb 0.35 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2kdc h LEU 102 CO 0.08 0.45 0.00 0.16 -0.34 0.00 0.00 178.44 178.79 2kdc h ILE 103 N 0.77 0.00 -0.90 4.05 -0.00 -1.56 -3.25 117.51 116.61 2kdc h ILE 103 Ca 0.24 -0.79 0.06 0.00 -0.00 0.00 0.00 64.86 64.37 2kdc h ILE 103 Cb -0.02 1.78 -0.06 0.00 -0.00 0.00 0.00 36.82 38.51 2kdc h ILE 103 CO -0.08 0.00 0.57 0.00 -0.00 0.00 0.00 178.15 178.64 2kdc h ALA 104 N 2.06 1.24 -0.28 0.16 0.00 -0.23 1.60 119.26 123.81 2kdc h ALA 104 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kdc h ALA 104 Cb 0.82 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kdc h ALA 104 CO 0.00 0.35 0.14 0.82 0.00 0.00 0.00 179.25 180.55 2kdc h ILE 105 N 1.05 1.14 -0.00 0.00 2.04 -1.61 1.34 117.51 121.47 2kdc h ILE 105 Ca 0.39 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 2kdc h ILE 105 Cb 0.15 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2kdc h ILE 105 CO -0.17 0.14 -0.79 0.40 0.00 0.00 0.00 178.15 177.73 2kdc h ILE 106 N 0.32 1.57 0.00 -0.67 5.03 -1.53 -3.31 117.51 118.92 2kdc h ILE 106 Ca 0.10 -2.72 0.00 0.00 -0.12 0.00 0.00 64.86 62.12 2kdc h ILE 106 Cb 0.10 2.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.36 2kdc h ILE 106 CO -0.01 0.78 0.00 0.52 -0.68 0.00 0.00 178.15 178.75 2kdc n VAL 107 N -3.60 0.00 -0.18 1.67 0.31 0.54 -2.92 118.33 114.15 2kdc n VAL 107 Ca -0.01 0.35 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 2kdc n VAL 107 Cb 0.76 -1.11 0.26 0.00 -0.91 0.00 0.00 33.84 32.85 2kdc n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kdc n ALA 108 N -1.66 0.51 -0.02 3.52 0.00 0.46 0.14 120.51 123.46 2kdc n ALA 108 Ca 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 2kdc n ALA 108 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 2kdc n ALA 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kdc h VAL 109 N 0.00 0.00 -0.41 0.00 -1.51 -1.69 -3.31 116.25 109.33 2kdc h VAL 109 Ca 0.34 -0.36 0.12 0.00 -1.23 0.00 0.00 66.70 65.57 2kdc h VAL 109 Cb 1.07 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 2kdc h VAL 109 CO -0.20 0.00 0.52 0.40 -1.23 0.00 0.00 177.57 177.07 2kdc h ILE 110 N -0.36 0.27 0.36 7.19 2.04 0.12 -1.02 117.51 126.11 2kdc h ILE 110 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2kdc h ILE 110 Cb 0.02 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2kdc h ILE 110 CO 0.00 0.00 -0.19 0.74 0.00 0.00 0.00 178.15 178.70 2kdc h THR 111 N 0.00 0.60 0.00 -0.27 2.02 0.11 -2.30 112.91 113.07 2kdc h THR 111 Ca 0.19 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 2kdc h THR 111 Cb 1.24 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2kdc h THR 111 CO -0.00 0.00 -0.15 -0.25 0.37 0.00 0.00 175.52 175.48 2kdc h TRP 112 N -0.51 0.00 0.65 3.16 7.01 -1.28 -2.22 115.95 122.76 2kdc h TRP 112 Ca -0.04 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 2kdc h TRP 112 Cb 0.41 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2kdc h TRP 112 CO -0.07 0.15 -0.31 0.00 -2.79 0.00 0.00 178.44 175.42 2kdc h ILE 114 N -1.11 1.27 -0.75 0.00 5.03 -1.44 -1.73 117.51 118.78 2kdc h ILE 114 Ca -0.09 -1.22 0.09 0.00 -0.12 0.00 0.00 64.86 63.52 2kdc h ILE 114 Cb 0.71 1.06 -0.05 0.00 -3.03 0.00 0.00 36.82 35.50 2kdc h ILE 114 CO 0.15 0.42 0.49 -0.07 -0.68 0.00 0.00 178.15 178.47 2kdc h LEU 115 N 0.78 0.61 -0.26 1.44 4.07 -1.44 0.00 115.31 120.50 2kdc h LEU 115 Ca 0.13 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.91 2kdc h LEU 115 Cb 0.64 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2kdc h LEU 115 CO 0.04 0.37 -0.58 0.25 -1.08 0.00 0.00 178.44 177.44 2kdc h LEU 116 N 0.68 0.97 -1.98 1.67 5.85 -0.92 -2.78 115.31 118.79 2kdc h LEU 116 Ca 0.35 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2kdc h LEU 116 Cb 0.44 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kdc h LEU 116 CO -0.13 1.34 0.35 -0.25 -0.34 0.00 0.00 178.44 179.42 2kdc h TRP 117 N 0.64 0.00 0.00 1.25 7.01 -0.09 0.42 115.95 125.18 2kdc h TRP 117 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2kdc h TRP 117 Cb 1.20 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.25 2kdc h TRP 117 CO 0.08 0.00 -0.09 0.77 -2.79 0.00 0.00 178.44 176.41 2kdc h SER 118 N 0.00 0.00 0.01 2.65 0.02 -1.17 -1.06 113.55 113.99 2kdc h SER 118 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kdc h SER 118 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2kdc h SER 118 CO -0.00 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 2kdc n HIS 119 N -4.15 0.00 -0.70 3.45 1.44 0.15 -4.77 115.22 110.63 2kdc n HIS 119 Ca -0.03 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.36 2kdc n HIS 119 Cb 0.17 -0.02 0.16 0.00 0.12 0.00 0.00 29.99 30.42 2kdc n HIS 119 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kdc n PHE 120 N -1.02 -1.39 -0.75 -1.40 7.35 -0.41 -5.19 117.46 114.66 2kdc n PHE 120 Ca 0.05 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2kdc n PHE 120 Cb 0.02 -1.65 0.00 0.00 0.35 0.00 0.00 39.48 38.21 2kdc n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41