#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1s n ASN -1 N 0.00 -1.52 0.28 -3.46 2.85 -1.26 -5.27 115.26 106.89 3k1s n ASN -1 Ca 0.00 0.88 0.16 0.00 -0.11 0.00 0.00 54.58 55.51 3k1s n ASN -1 Cb 0.00 -1.04 0.83 0.00 1.24 0.00 0.00 39.78 40.81 3k1s n ASN -1 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k1s h ALA 0 N 0.64 1.13 -3.38 5.20 0.00 -2.14 -3.57 119.26 117.14 3k1s h ALA 0 Ca -0.39 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 3k1s h ALA 0 Cb 1.42 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.93 3k1s h ALA 0 CO 0.50 0.08 -0.56 0.95 0.00 0.00 0.00 179.25 180.22 3k1s s THR 3 N -4.03 -0.00 -0.20 0.00 -4.23 -1.26 -5.38 115.64 100.54 3k1s s THR 3 Ca -0.02 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 3k1s s THR 3 Cb 0.12 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.71 3k1s s THR 3 CO 0.53 0.00 0.31 0.28 -0.54 0.00 0.00 174.62 175.21 3k1s s THR 4 N 0.15 5.26 -0.91 3.99 -1.32 -1.26 0.34 115.64 121.89 3k1s s THR 4 Ca -0.01 0.53 -0.00 0.00 -1.21 0.00 0.00 61.69 61.00 3k1s s THR 4 Cb -0.02 -3.65 0.29 0.00 -1.51 0.00 0.00 72.50 67.62 3k1s s THR 4 CO -0.00 0.31 1.24 0.00 -2.21 0.00 0.00 174.62 173.96 3k1s n ALA 5 N 4.24 4.86 0.11 11.08 0.00 -1.26 -5.01 120.51 134.52 3k1s n ALA 5 Ca -0.11 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.55 3k1s n ALA 5 Cb 0.51 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.19 3k1s n ALA 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k1s n GLU 6 N 1.00 0.05 0.07 0.00 2.13 1.02 -2.73 120.64 122.18 3k1s n GLU 6 Ca 0.29 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.90 3k1s n GLU 6 Cb 0.35 -1.14 -0.12 0.00 0.27 0.00 0.00 31.44 30.80 3k1s n GLU 6 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3k1s h GLN 7 N 0.00 0.65 -0.54 5.31 4.20 -1.96 -3.33 115.11 119.45 3k1s h GLN 7 Ca 0.00 -0.79 0.07 0.00 0.06 0.00 0.00 58.65 57.99 3k1s h GLN 7 Cb 0.00 0.24 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 3k1s h GLN 7 CO 0.00 1.35 0.22 0.82 -0.67 0.00 0.00 178.83 180.55 3k1s h ILE 8 N 0.31 0.85 -0.62 2.54 2.04 -1.90 -1.38 117.51 119.34 3k1s h ILE 8 Ca -0.16 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.67 3k1s h ILE 8 Cb 1.80 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 3k1s h ILE 8 CO 0.22 0.08 0.16 -0.65 0.00 0.00 0.00 178.15 177.96 3k1s h PRO 9 N 0.42 0.29 -0.81 2.37 0.11 -1.81 0.45 132.00 133.03 3k1s h PRO 9 Ca 0.26 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 3k1s h PRO 9 Cb 0.25 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 3k1s h PRO 9 CO -0.24 0.19 0.36 0.74 -0.21 0.00 0.00 178.00 178.85 3k1s h PHE 10 N 0.30 1.19 -0.55 0.65 0.04 -1.54 -1.30 116.94 115.72 3k1s h PHE 10 Ca 0.33 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 3k1s h PHE 10 Cb 0.49 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3k1s h PHE 10 CO -0.23 0.88 0.18 1.96 -0.60 0.00 0.00 178.31 180.49 3k1s h GLN 11 N 1.15 0.85 -0.64 1.51 1.08 -0.04 -1.75 115.11 117.27 3k1s h GLN 11 Ca 0.27 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3k1s h GLN 11 Cb 0.16 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3k1s h GLN 11 CO -0.03 0.77 0.31 -0.07 -0.95 0.00 0.00 178.83 178.86 3k1s h LEU 12 N 0.76 0.83 -0.42 1.46 3.38 0.00 -1.87 115.31 119.45 3k1s h LEU 12 Ca 0.18 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3k1s h LEU 12 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k1s h LEU 12 CO -0.01 0.73 0.08 0.40 0.09 0.00 0.00 178.44 179.73 3k1s h ILE 13 N 0.87 1.24 0.54 1.22 2.04 -1.04 -0.06 117.51 122.33 3k1s h ILE 13 Ca 0.22 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 3k1s h ILE 13 Cb 0.12 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3k1s h ILE 13 CO -0.03 0.30 -0.26 0.25 0.00 0.00 0.00 178.15 178.41 3k1s h LEU 14 N 0.56 -0.63 -0.98 1.44 5.85 -1.26 -0.78 115.31 119.51 3k1s h LEU 14 Ca 0.13 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3k1s h LEU 14 Cb 0.36 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3k1s h LEU 14 CO 0.01 -0.44 -0.46 0.78 -0.34 0.00 0.00 178.44 177.99 3k1s h ASN 15 N -0.73 0.12 -0.15 1.25 2.35 -1.30 -2.42 115.58 114.70 3k1s h ASN 15 Ca -0.07 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.44 3k1s h ASN 15 Cb 0.56 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.91 3k1s h ASN 15 CO 0.12 0.56 -0.63 0.28 -1.65 0.00 0.00 177.43 176.10 3k1s h SER 16 N 0.09 0.81 -0.19 5.81 0.02 -1.01 -2.12 113.55 116.95 3k1s h SER 16 Ca 0.00 -0.62 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 3k1s h SER 16 Cb 0.85 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 3k1s h SER 16 CO 0.06 1.30 0.01 1.23 -1.14 0.00 0.00 176.83 178.30 3k1s h GLY 17 N 0.38 0.19 0.99 -3.77 0.00 -0.96 0.19 103.07 100.08 3k1s h GLY 17 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3k1s h GLY 17 CO 0.13 -0.02 0.30 3.43 0.00 0.00 0.00 176.54 180.37 3k1s h ASN 18 N 0.08 0.69 -0.54 0.19 2.35 -1.49 0.61 115.58 117.48 3k1s h ASN 18 Ca 0.09 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3k1s h ASN 18 Cb 0.10 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 3k1s h ASN 18 CO -0.14 0.59 0.25 0.00 -1.65 0.00 0.00 177.43 176.48 3k1s h ALA 19 N 1.13 0.69 -0.54 -0.83 0.00 -1.07 0.96 119.26 119.60 3k1s h ALA 19 Ca 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3k1s h ALA 19 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k1s h ALA 19 CO -0.03 -0.12 0.16 -0.09 0.00 0.00 0.00 179.25 179.17 3k1s h ARG 20 N 0.47 0.85 -0.65 0.00 2.43 -0.47 -2.04 114.38 114.98 3k1s h ARG 20 Ca 0.25 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3k1s h ARG 20 Cb 0.21 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3k1s h ARG 20 CO -0.20 0.79 0.24 0.77 -1.51 0.00 0.00 179.97 180.05 3k1s h SER 21 N 0.76 0.92 -0.53 -3.80 0.02 -0.39 -2.85 113.55 107.68 3k1s h SER 21 Ca 0.17 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3k1s h SER 21 Cb 0.30 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3k1s h SER 21 CO -0.00 0.86 0.31 -0.26 -1.14 0.00 0.00 176.83 176.59 3k1s h PHE 22 N 0.93 0.57 0.00 3.45 0.04 -0.67 0.17 116.94 121.44 3k1s h PHE 22 Ca 0.21 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3k1s h PHE 22 Cb 0.24 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3k1s h PHE 22 CO 0.02 0.32 0.00 0.00 -0.60 0.00 0.00 178.31 178.05 3k1s n ALA 23 N -2.29 1.61 0.00 2.45 0.00 -0.78 -0.75 120.51 120.76 3k1s n ALA 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3k1s n ALA 23 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3k1s n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k1s n GLU 25 N 0.45 0.00 -0.17 0.00 1.02 0.61 -1.11 120.64 121.45 3k1s n GLU 25 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3k1s n GLU 25 Cb 0.11 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.60 3k1s n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1s h ALA 26 N 0.00 0.65 -0.66 0.62 0.00 -1.18 0.13 119.26 118.82 3k1s h ALA 26 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k1s h ALA 26 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3k1s h ALA 26 CO 0.00 -0.20 0.34 1.25 0.00 0.00 0.00 179.25 180.64 3k1s h LEU 27 N 0.38 0.85 -0.76 0.00 5.85 -1.38 -0.84 115.31 119.40 3k1s h LEU 27 Ca 0.25 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3k1s h LEU 27 Cb 0.27 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3k1s h LEU 27 CO -0.25 0.72 0.10 -0.61 -0.34 0.00 0.00 178.44 178.06 3k1s h GLN 28 N 0.91 1.04 -0.45 1.25 5.75 -1.70 -2.01 115.11 119.90 3k1s h GLN 28 Ca 0.23 -0.27 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3k1s h GLN 28 Cb 0.08 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3k1s h GLN 28 CO -0.03 0.96 0.25 0.74 -2.65 0.00 0.00 178.83 178.09 3k1s h PHE 29 N 0.98 0.46 -0.91 3.99 0.04 -0.60 -2.93 116.94 117.97 3k1s h PHE 29 Ca 0.20 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.01 3k1s h PHE 29 Cb 0.42 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 3k1s h PHE 29 CO 0.03 0.25 0.60 0.00 -0.60 0.00 0.00 178.31 178.58 3k1s h ALA 30 N 1.22 1.19 0.00 2.45 0.00 -0.80 -0.48 119.26 122.84 3k1s h ALA 30 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1s h ALA 30 Cb 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3k1s h ALA 30 CO -0.11 0.50 -0.01 0.87 0.00 0.00 0.00 179.25 180.49 3k1s h LYS 31 N 1.19 0.00 -0.05 0.00 1.57 -1.19 -1.23 116.57 116.85 3k1s h LYS 31 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3k1s h LYS 31 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3k1s h LYS 31 CO -0.10 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.83 3k1s n GLN 32 N -4.20 2.04 -0.91 3.15 6.02 -0.72 -4.94 117.38 117.81 3k1s n GLN 32 Ca -0.03 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3k1s n GLN 32 Cb 0.10 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3k1s n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k1s n GLY 33 N 1.28 0.51 3.75 1.08 0.00 -0.46 -5.10 105.19 106.25 3k1s n GLY 33 Ca 0.16 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3k1s n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1s s LYS 34 N -0.55 4.34 0.00 1.61 1.02 -0.27 -4.98 119.74 120.91 3k1s s LYS 34 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.74 3k1s s LYS 34 Cb 0.00 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 3k1s s LYS 34 CO 0.00 0.31 0.00 0.00 -0.92 0.00 0.00 175.35 174.74 3k1s n ALA 36 N 2.92 0.00 -0.08 5.17 0.00 -1.26 -1.14 120.51 126.12 3k1s n ALA 36 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 3k1s n ALA 36 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 3k1s n ALA 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k1s h GLU 37 N 0.00 0.80 -0.36 0.00 3.07 -1.96 -2.45 114.58 113.69 3k1s h GLU 37 Ca 0.00 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 3k1s h GLU 37 Cb 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3k1s h GLU 37 CO 0.00 1.04 0.23 0.00 -1.40 0.00 0.00 179.01 178.87 3k1s h ALA 38 N 0.91 0.45 -0.67 3.43 0.00 -1.37 -1.64 119.26 120.38 3k1s h ALA 38 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3k1s h ALA 38 Cb 0.93 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3k1s h ALA 38 CO 0.09 -0.07 0.43 -0.44 0.00 0.00 0.00 179.25 179.26 3k1s h ASP 39 N 0.47 0.72 -0.13 0.00 3.32 -1.81 -3.02 116.42 115.97 3k1s h ASP 39 Ca 0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k1s h ASP 39 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3k1s h ASP 39 CO -0.03 0.50 0.06 -0.08 -1.72 0.00 0.00 179.24 177.98 3k1s h GLU 40 N 0.85 0.18 -1.97 3.56 4.81 -1.20 -2.29 114.58 118.52 3k1s h GLU 40 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3k1s h GLU 40 Cb -0.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3k1s h GLU 40 CO -0.09 0.24 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3k1s n ALA 41 N -2.19 1.54 0.00 2.92 0.00 -0.64 -1.92 120.51 120.22 3k1s n ALA 41 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3k1s n ALA 41 Cb 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3k1s n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k1s n VAL 43 N 1.11 0.00 -0.05 0.00 0.31 -0.86 -0.46 118.33 118.37 3k1s n VAL 43 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3k1s n VAL 43 Cb 0.02 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.08 3k1s n VAL 43 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k1s h LYS 44 N 0.00 0.67 -0.42 5.55 1.57 -1.68 -1.45 116.57 120.82 3k1s h LYS 44 Ca 0.00 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3k1s h LYS 44 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3k1s h LYS 44 CO 0.00 0.83 0.15 0.00 -0.57 0.00 0.00 179.45 179.86 3k1s h ALA 45 N 1.17 0.54 -0.68 3.86 0.00 -1.04 -1.23 119.26 121.89 3k1s h ALA 45 Ca 0.09 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3k1s h ALA 45 Cb 0.68 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3k1s h ALA 45 CO 0.05 0.17 0.36 -0.22 0.00 0.00 0.00 179.25 179.61 3k1s h LYS 46 N 0.53 0.63 -0.59 0.00 1.63 -1.78 -1.02 116.57 115.97 3k1s h LYS 46 Ca 0.14 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 3k1s h LYS 46 Cb 0.22 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3k1s h LYS 46 CO -0.01 0.42 0.02 0.93 -3.45 0.00 0.00 179.45 177.36 3k1s h GLU 47 N 0.65 1.01 -0.34 1.90 5.08 -0.92 -1.17 114.58 120.79 3k1s h GLU 47 Ca 0.31 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3k1s h GLU 47 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3k1s h GLU 47 CO -0.21 0.97 -0.30 0.00 -1.00 0.00 0.00 179.01 178.48 3k1s h ALA 48 N 1.08 0.83 -0.38 3.43 0.00 -0.89 -2.29 119.26 121.04 3k1s h ALA 48 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3k1s h ALA 48 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3k1s h ALA 48 CO 0.02 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.79 3k1s h ILE 49 N 0.62 1.24 -0.77 0.00 2.04 -0.90 -0.77 117.51 118.98 3k1s h ILE 49 Ca 0.07 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.18 3k1s h ILE 49 Cb 0.81 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3k1s h ILE 49 CO 0.07 0.29 0.40 0.78 0.00 0.00 0.00 178.15 179.69 3k1s h ASN 50 N 0.48 0.53 -0.28 1.72 2.35 -1.13 0.41 115.58 119.66 3k1s h ASN 50 Ca 0.12 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3k1s h ASN 50 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3k1s h ASN 50 CO 0.01 0.29 0.11 -0.33 -1.65 0.00 0.00 177.43 175.86 3k1s h GLU 51 N 0.66 0.42 -0.55 0.81 4.39 -1.17 -2.23 114.58 116.90 3k1s h GLU 51 Ca 0.38 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.02 3k1s h GLU 51 Cb 0.41 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3k1s h GLU 51 CO -0.28 0.45 0.35 0.00 -1.16 0.00 0.00 179.01 178.37 3k1s h ALA 52 N 0.95 0.70 -0.98 3.43 0.00 -0.55 -2.58 119.26 120.24 3k1s h ALA 52 Ca 0.09 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3k1s h ALA 52 Cb 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3k1s h ALA 52 CO -0.01 0.10 0.61 0.45 0.00 0.00 0.00 179.25 180.41 3k1s h HIS 53 N 0.71 1.02 -0.88 0.00 3.86 0.01 -1.15 115.15 118.72 3k1s h HIS 53 Ca 0.21 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.47 3k1s h HIS 53 Cb -0.04 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.07 3k1s h HIS 53 CO -0.05 0.31 0.58 0.45 0.86 0.00 0.00 177.93 180.08 3k1s h HIS 54 N 0.80 1.09 -0.34 2.45 -0.00 -0.98 -1.03 115.15 117.14 3k1s h HIS 54 Ca 0.53 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.82 3k1s h HIS 54 Cb 0.77 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 3k1s h HIS 54 CO -0.00 0.65 -0.18 0.74 -0.00 0.00 0.00 177.93 179.14 3k1s h PHE 55 N 1.14 0.83 -0.34 2.45 0.04 -1.23 -2.63 116.94 117.21 3k1s h PHE 55 Ca 0.34 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.92 3k1s h PHE 55 Cb -0.05 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 3k1s h PHE 55 CO -0.00 0.93 0.17 0.37 -0.60 0.00 0.00 178.31 179.19 3k1s h GLN 56 N 0.49 0.35 -0.60 1.51 5.75 -0.89 -2.22 115.11 119.50 3k1s h GLN 56 Ca 0.07 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3k1s h GLN 56 Cb 0.72 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3k1s h GLN 56 CO 0.05 0.23 0.35 1.15 -2.65 0.00 0.00 178.83 177.96 3k1s h THR 57 N 0.36 1.18 -0.43 2.39 2.02 -1.22 -1.29 112.91 115.92 3k1s h THR 57 Ca 0.14 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 66.96 3k1s h THR 57 Cb 0.04 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 3k1s h THR 57 CO -0.09 0.19 0.10 -0.08 0.37 0.00 0.00 175.52 176.01 3k1s h GLU 58 N 0.81 0.23 0.16 6.66 4.81 -1.08 0.42 114.58 126.59 3k1s h GLU 58 Ca 0.21 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3k1s h GLU 58 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3k1s h GLU 58 CO -0.04 0.15 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.14 3k1s h LEU 59 N 0.23 -0.48 -0.76 1.64 3.38 -0.94 -1.17 115.31 117.21 3k1s h LEU 59 Ca 0.21 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3k1s h LEU 59 Cb 0.25 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3k1s h LEU 59 CO -0.26 -0.27 0.38 0.40 0.09 0.00 0.00 178.44 178.78 3k1s h ILE 60 N -0.38 1.24 -0.68 1.22 2.04 -0.61 -2.52 117.51 117.82 3k1s h ILE 60 Ca 0.01 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 3k1s h ILE 60 Cb 0.37 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3k1s h ILE 60 CO -0.06 0.28 0.15 0.06 0.00 0.00 0.00 178.15 178.57 3k1s h GLN 61 N 1.06 1.10 -0.31 2.37 3.07 -0.03 -1.54 115.11 120.84 3k1s h GLN 61 Ca 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 3k1s h GLN 61 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 27.49 3k1s h GLN 61 CO -0.04 0.99 0.06 0.66 0.09 0.00 0.00 178.83 180.60 3k1s h SER 62 N 1.03 0.40 0.50 0.06 4.64 -0.93 -1.63 113.55 117.63 3k1s h SER 62 Ca 0.21 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.30 3k1s h SER 62 Cb 0.40 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3k1s h SER 62 CO 0.01 0.42 -0.78 -0.33 -0.87 0.00 0.00 176.83 175.28 3k1s h GLU 63 N 0.44 0.21 -0.47 4.77 5.08 -1.19 -0.43 114.58 123.00 3k1s h GLU 63 Ca 0.10 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3k1s h GLU 63 Cb 0.19 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3k1s h GLU 63 CO -0.00 0.89 0.03 0.00 -1.00 0.00 0.00 179.01 178.93 3k1s h ALA 64 N 1.04 1.18 -0.27 3.43 0.00 -0.36 -3.04 119.26 121.25 3k1s h ALA 64 Ca -0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3k1s h ALA 64 Cb 1.37 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k1s h ALA 64 CO 0.12 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.67 3k1s h ARG 65 N 0.71 0.64 0.00 0.00 3.08 -1.44 -3.47 114.38 113.89 3k1s h ARG 65 Ca 0.15 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3k1s h ARG 65 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k1s h ARG 65 CO 0.01 0.93 0.00 0.41 -1.07 0.00 0.00 179.97 180.25 3k1s n GLY 66 N 0.14 -0.93 3.57 0.04 0.00 -1.15 -5.10 105.19 101.76 3k1s n GLY 66 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3k1s n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1s s GLU 67 N 0.00 3.29 -0.31 1.61 2.02 -0.17 -4.97 118.70 120.17 3k1s s GLU 67 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 3k1s s GLU 67 Cb 0.00 -4.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.09 3k1s s GLU 67 CO 0.00 -1.98 1.55 0.21 0.02 0.00 0.00 175.26 175.06 3k1s s LYS 68 N 5.51 3.65 0.37 1.61 2.47 -1.26 -3.61 119.74 128.48 3k1s s LYS 68 Ca 0.43 1.36 -0.24 0.00 -1.56 0.00 0.00 55.97 55.96 3k1s s LYS 68 Cb -0.09 -4.04 -0.10 0.00 -1.46 0.00 0.00 37.83 32.14 3k1s s LYS 68 CO 0.21 -1.46 0.96 0.99 0.16 0.00 0.00 175.35 176.21 3k1s s THR 69 N 5.50 4.19 -0.28 3.43 2.01 -1.26 -5.01 115.64 124.22 3k1s s THR 69 Ca 0.68 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 64.04 3k1s s THR 69 Cb -0.20 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.48 3k1s s THR 69 CO 0.30 -0.02 1.11 -1.61 -0.69 0.00 0.00 174.62 173.71 3k1s s GLU 70 N -2.46 4.12 -0.30 4.92 8.01 -1.26 -5.01 118.70 126.72 3k1s s GLU 70 Ca 0.55 1.22 -0.21 0.00 0.01 0.00 0.00 54.97 56.54 3k1s s GLU 70 Cb -0.16 -3.73 -0.01 0.00 -4.31 0.00 0.00 34.13 25.92 3k1s s GLU 70 CO 0.21 -0.84 0.66 0.42 0.01 0.00 0.00 175.26 175.73 3k1s s ILE 71 N 3.60 4.92 0.30 -1.63 -1.09 -1.26 -4.98 121.20 121.06 3k1s s ILE 71 Ca 0.47 0.97 0.09 0.00 -2.23 0.00 0.00 60.65 59.96 3k1s s ILE 71 Cb -0.14 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.66 3k1s s ILE 71 CO 0.14 -0.13 -0.13 -0.94 -1.23 0.00 0.00 174.94 172.65 3k1s s SER 72 N 1.60 3.36 0.27 3.58 1.04 -1.26 -5.03 113.70 117.26 3k1s s SER 72 Ca 0.27 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 3k1s s SER 72 Cb -0.15 -0.27 0.35 0.00 0.10 0.00 0.00 66.02 66.05 3k1s s SER 72 CO 0.11 -0.15 1.90 0.58 0.98 0.00 0.00 173.24 176.66 3k1s h VAL 73 N 2.21 1.23 -0.62 5.02 2.07 -1.99 -2.30 116.25 121.87 3k1s h VAL 73 Ca -0.41 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 3k1s h VAL 73 Cb 1.25 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3k1s h VAL 73 CO 0.66 0.26 0.12 0.25 0.02 0.00 0.00 177.57 178.88 3k1s h LEU 74 N 1.09 0.93 -0.13 2.57 5.85 -1.98 0.16 115.31 123.81 3k1s h LEU 74 Ca 0.28 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3k1s h LEU 74 Cb 0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3k1s h LEU 74 CO -0.04 0.92 0.08 0.25 -0.34 0.00 0.00 178.44 179.30 3k1s h LEU 75 N 0.93 0.15 -0.77 2.25 5.85 -1.86 0.46 115.31 122.33 3k1s h LEU 75 Ca 0.19 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3k1s h LEU 75 Cb 0.37 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3k1s h LEU 75 CO 0.01 0.15 0.50 0.40 -0.34 0.00 0.00 178.44 179.16 3k1s h ILE 76 N 0.14 1.17 -0.27 4.05 2.04 -1.08 -0.77 117.51 122.79 3k1s h ILE 76 Ca 0.05 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3k1s h ILE 76 Cb 0.02 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3k1s h ILE 76 CO -0.01 0.18 0.04 -0.74 0.00 0.00 0.00 178.15 177.63 3k1s h HIS 77 N 1.01 0.47 -0.70 1.37 2.76 -0.49 -0.38 115.15 119.19 3k1s h HIS 77 Ca 0.29 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.44 3k1s h HIS 77 Cb -0.08 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.71 3k1s h HIS 77 CO -0.02 0.55 0.42 0.00 -1.30 0.00 0.00 177.93 177.58 3k1s h ALA 78 N 0.86 0.92 -0.27 5.26 0.00 0.22 0.28 119.26 126.54 3k1s h ALA 78 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3k1s h ALA 78 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k1s h ALA 78 CO 0.01 0.15 -0.18 1.96 0.00 0.00 0.00 179.25 181.19 3k1s h GLN 79 N 0.80 0.47 -0.55 0.00 4.20 -1.01 -1.54 115.11 117.48 3k1s h GLN 79 Ca 0.29 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3k1s h GLN 79 Cb 0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3k1s h GLN 79 CO -0.14 0.63 0.24 -0.44 -0.67 0.00 0.00 178.83 178.46 3k1s h ASP 80 N 0.43 0.74 -0.55 1.46 3.32 -0.07 -3.13 116.42 118.61 3k1s h ASP 80 Ca 0.07 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3k1s h ASP 80 Cb 0.56 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3k1s h ASP 80 CO 0.04 0.68 0.12 0.45 -1.72 0.00 0.00 179.24 178.81 3k1s h HIS 81 N 0.74 0.98 0.00 4.55 3.86 0.06 -2.21 115.15 123.13 3k1s h HIS 81 Ca 0.19 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3k1s h HIS 81 Cb 0.16 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3k1s h HIS 81 CO 0.00 0.83 0.00 -0.11 0.86 0.00 0.00 177.93 179.51 3k1s n LEU 82 N -4.24 0.63 0.00 2.43 7.94 -0.63 -1.69 117.00 121.44 3k1s n LEU 82 Ca 0.04 -0.31 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 3k1s n LEU 82 Cb 0.26 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3k1s n LEU 82 CO 0.41 0.11 0.00 -3.20 -1.11 0.00 0.00 177.39 173.60 3k1s n ASN 84 N 0.71 0.00 -0.11 1.96 5.15 -0.83 -1.69 115.26 120.45 3k1s n ASN 84 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 3k1s n ASN 84 Cb 0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.34 3k1s n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1s h ALA 85 N 0.00 0.44 -0.47 5.20 0.00 -1.59 0.80 119.26 123.64 3k1s h ALA 85 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k1s h ALA 85 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k1s h ALA 85 CO 0.00 0.03 0.31 0.82 0.00 0.00 0.00 179.25 180.41 3k1s h ILE 86 N 0.40 1.12 -0.30 0.00 2.04 -1.59 -0.17 117.51 119.01 3k1s h ILE 86 Ca 0.11 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 3k1s h ILE 86 Cb 0.16 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3k1s h ILE 86 CO -0.01 0.12 -0.42 0.74 0.00 0.00 0.00 178.15 178.58 3k1s h THR 87 N 0.63 1.29 -0.51 -0.27 2.02 -1.79 -1.51 112.91 112.76 3k1s h THR 87 Ca 0.17 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 3k1s h THR 87 Cb -0.07 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3k1s h THR 87 CO -0.04 0.52 0.23 0.58 0.37 0.00 0.00 175.52 177.19 3k1s h VAL 88 N 0.58 1.20 0.05 3.16 2.07 -0.72 -1.41 116.25 121.18 3k1s h VAL 88 Ca 0.03 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3k1s h VAL 88 Cb 1.02 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3k1s h VAL 88 CO 0.10 0.23 -0.02 0.50 0.02 0.00 0.00 177.57 178.39 3k1s h LYS 89 N 0.68 -0.07 -0.32 1.57 3.64 -0.92 0.27 116.57 121.43 3k1s h LYS 89 Ca 0.17 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3k1s h LYS 89 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3k1s h LYS 89 CO -0.02 -0.02 -0.11 0.93 -2.27 0.00 0.00 179.45 177.96 3k1s h GLU 90 N -0.09 0.53 0.00 1.90 5.08 -1.12 -2.04 114.58 118.84 3k1s h GLU 90 Ca -0.01 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3k1s h GLU 90 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3k1s h GLU 90 CO 0.01 0.64 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.61 3k1s h LEU 91 N 0.49 0.00 -0.67 1.33 3.38 -1.22 -3.18 115.31 115.45 3k1s h LEU 91 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k1s h LEU 91 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3k1s h LEU 91 CO 0.03 0.22 0.43 0.00 0.09 0.00 0.00 178.44 179.21 3k1s h ALA 92 N 1.78 0.85 -0.65 1.53 0.00 -0.17 -1.72 119.26 120.88 3k1s h ALA 92 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3k1s h ALA 92 Cb 1.21 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3k1s h ALA 92 CO 0.02 0.29 0.34 0.00 0.00 0.00 0.00 179.25 179.90 3k1s h ALA 93 N 1.24 0.88 -0.64 0.00 0.00 -1.37 0.04 119.26 119.41 3k1s h ALA 93 Ca 0.24 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3k1s h ALA 93 Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3k1s h ALA 93 CO -0.05 -0.03 0.10 0.93 0.00 0.00 0.00 179.25 180.20 3k1s h GLU 94 N 0.61 1.05 -0.32 0.00 4.39 -1.47 -1.33 114.58 117.50 3k1s h GLU 94 Ca 0.31 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3k1s h GLU 94 Cb 0.26 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3k1s h GLU 94 CO -0.22 0.96 0.15 0.74 -1.16 0.00 0.00 179.01 179.48 3k1s h PHE 95 N 0.98 0.46 -0.57 4.33 0.04 -0.67 -2.14 116.94 119.38 3k1s h PHE 95 Ca 0.19 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.96 3k1s h PHE 95 Cb 0.43 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3k1s h PHE 95 CO 0.03 0.42 0.34 0.82 -0.60 0.00 0.00 178.31 179.32 3k1s h ILE 96 N 0.37 1.07 -0.92 -0.55 2.04 -0.74 -0.83 117.51 117.95 3k1s h ILE 96 Ca 0.11 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.86 3k1s h ILE 96 Cb 0.13 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 3k1s h ILE 96 CO -0.01 0.12 0.55 0.44 0.00 0.00 0.00 178.15 179.25 3k1s h ASP 97 N 0.68 0.77 -0.25 1.72 3.32 -1.10 0.13 116.42 121.70 3k1s h ASP 97 Ca 0.23 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3k1s h ASP 97 Cb 0.02 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3k1s h ASP 97 CO -0.10 0.40 0.08 -0.07 -1.72 0.00 0.00 179.24 177.83 3k1s h LEU 98 N 0.85 0.35 -0.80 1.55 3.38 -0.60 -0.27 115.31 119.78 3k1s h LEU 98 Ca 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3k1s h LEU 98 Cb 0.50 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3k1s h LEU 98 CO -0.28 0.46 0.42 1.88 0.09 0.00 0.00 178.44 181.01 3k1s h TYR 99 N 0.23 1.12 -0.61 1.13 0.05 -0.54 0.17 116.97 118.52 3k1s h TYR 99 Ca 0.08 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k1s h TYR 99 Cb 0.23 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3k1s h TYR 99 CO 0.00 0.79 0.37 0.87 -1.05 0.00 0.00 178.16 179.15 3k1s h LYS 100 N 1.12 0.83 -0.50 4.88 1.57 -0.68 -1.67 116.57 122.13 3k1s h LYS 100 Ca 0.28 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3k1s h LYS 100 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3k1s h LYS 100 CO -0.04 0.60 0.10 -0.22 -0.57 0.00 0.00 179.45 179.32 3k1s h LYS 101 N 0.83 0.81 -0.56 3.15 3.64 -0.42 -1.71 116.57 122.31 3k1s h LYS 101 Ca 0.22 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3k1s h LYS 101 Cb -0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3k1s h LYS 101 CO -0.04 0.80 0.06 -0.07 -2.27 0.00 0.00 179.45 177.93 3k1s h LEU 102 N 0.69 0.87 -0.87 5.20 3.38 -0.48 -2.51 115.31 121.59 3k1s h LEU 102 Ca 0.15 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3k1s h LEU 102 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3k1s h LEU 102 CO 0.01 0.89 -0.53 -0.33 0.09 0.00 0.00 178.44 178.57 3k1s h GLU 103 N 0.86 0.00 0.00 1.13 3.07 -1.18 -2.84 114.58 115.61 3k1s h GLU 103 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3k1s h GLU 103 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3k1s h GLU 103 CO 0.01 0.53 0.00 0.00 -1.40 0.00 0.00 179.01 178.15 3k1s n ALA 104 N -2.39 1.91 0.04 3.43 0.00 -0.65 -2.48 120.51 120.37 3k1s n ALA 104 Ca -0.01 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3k1s n ALA 104 Cb 0.56 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 3k1s n ALA 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3k1s h LYS 105 N 0.00 0.15 0.00 0.00 1.57 -1.25 -3.51 116.57 113.54 3k1s h LYS 105 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3k1s h LYS 105 Cb 0.50 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3k1s h LYS 105 CO 0.00 0.97 0.00 0.41 -0.57 0.00 0.00 179.45 180.26