#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kmi n ASP 3 N 0.00 4.06 0.07 0.00 2.03 -1.26 -4.85 116.55 116.59 1kmi n ASP 3 Ca 0.00 0.99 0.07 0.00 0.52 0.00 0.00 54.79 56.37 1kmi n ASP 3 Cb 0.00 -1.55 0.33 0.00 -0.72 0.00 0.00 41.12 39.19 1kmi n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1kmi n LYS 4 N 5.62 0.08 0.00 -0.67 4.76 -1.26 -1.62 118.16 125.06 1kmi n LYS 4 Ca 0.18 0.43 0.13 0.00 -2.87 0.00 0.00 58.31 56.18 1kmi n LYS 4 Cb 0.37 -1.69 0.40 0.00 -1.84 0.00 0.00 35.03 32.28 1kmi n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1kmi n GLU 5 N -1.84 0.90 -1.59 1.97 -0.58 -1.26 -4.27 120.64 113.97 1kmi n GLU 5 Ca 0.01 -0.52 -0.55 0.00 -0.42 0.00 0.00 57.16 55.69 1kmi n GLU 5 Cb 0.12 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 1kmi n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1kmi n LEU 6 N -0.60 1.36 -4.63 -4.62 7.94 -0.64 -4.79 117.00 111.02 1kmi n LEU 6 Ca 0.13 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.74 1kmi n LEU 6 Cb 0.35 -1.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.12 1kmi n LEU 6 CO 0.25 -1.15 0.50 -0.75 -1.11 0.00 0.00 177.39 175.13 1kmi s LYS 7 N 0.82 4.09 0.10 1.96 2.20 -1.26 -4.53 119.74 123.13 1kmi s LYS 7 Ca 0.88 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1kmi s LYS 7 Cb -1.05 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 31.56 1kmi s LYS 7 CO 0.52 -0.50 0.19 -0.06 -0.36 0.00 0.00 175.35 175.14 1kmi s PHE 8 N 2.68 3.38 -0.26 4.03 0.40 -0.49 -2.05 117.98 125.67 1kmi s PHE 8 Ca 0.30 0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1kmi s PHE 8 Cb -0.15 -1.66 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1kmi s PHE 8 CO 0.09 0.54 0.02 -1.17 0.70 0.00 0.00 175.22 175.41 1kmi s LEU 9 N -2.76 2.40 -0.37 -0.37 2.96 -0.49 -1.47 118.68 118.58 1kmi s LEU 9 Ca 0.33 -1.34 -0.19 0.00 -0.22 0.00 0.00 54.13 52.71 1kmi s LEU 9 Cb -0.12 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1kmi s LEU 9 CO 0.26 -0.32 0.54 -0.69 -1.32 0.00 0.00 176.35 174.82 1kmi s VAL 10 N 1.51 4.98 -0.21 1.68 1.01 0.41 -2.08 120.40 127.70 1kmi s VAL 10 Ca 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1kmi s VAL 10 Cb -0.18 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1kmi s VAL 10 CO -0.13 -0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 173.89 1kmi s VAL 11 N 2.47 2.86 -0.18 2.92 1.01 -0.53 -1.64 120.40 127.30 1kmi s VAL 11 Ca 0.19 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1kmi s VAL 11 Cb -0.15 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.02 1kmi s VAL 11 CO 0.14 0.41 0.90 -0.62 0.00 0.00 0.00 175.10 175.93 1kmi s ASP 12 N 1.39 -0.50 0.08 3.32 -1.08 -0.77 -1.64 116.67 117.46 1kmi s ASP 12 Ca 0.04 0.73 0.26 0.00 -0.52 0.00 0.00 52.55 53.06 1kmi s ASP 12 Cb -0.14 0.66 1.00 0.00 -1.46 0.00 0.00 42.92 42.97 1kmi s ASP 12 CO -0.07 -0.34 1.80 -0.90 0.52 0.00 0.00 175.17 176.18 1kmi n ASP 13 N 1.41 0.30 -4.44 -0.34 5.75 -1.25 -4.34 116.55 113.65 1kmi n ASP 13 Ca -0.13 0.54 -0.36 0.00 -0.01 0.00 0.00 54.79 54.83 1kmi n ASP 13 Cb 0.57 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 39.92 1kmi n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1kmi s PHE 14 N -3.06 3.06 0.06 2.11 0.08 -1.26 -5.01 117.98 113.96 1kmi s PHE 14 Ca 0.11 -0.48 -0.18 0.00 0.12 0.00 0.00 56.93 56.50 1kmi s PHE 14 Cb 0.15 -2.18 -0.07 0.00 -0.57 0.00 0.00 43.02 40.35 1kmi s PHE 14 CO 0.50 -0.34 1.29 0.66 -0.10 0.00 0.00 175.22 177.23 1kmi h SER 15 N 7.98 -0.91 -0.45 1.36 4.64 -2.00 -1.78 113.55 122.39 1kmi h SER 15 Ca -0.38 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1kmi h SER 15 Cb 1.17 0.35 -0.07 0.00 -0.31 0.00 0.00 62.40 63.55 1kmi h SER 15 CO 0.59 -0.26 -0.21 0.41 -0.87 0.00 0.00 176.83 176.49 1kmi n THR 16 N -4.08 -0.27 0.26 2.95 -1.04 -1.26 0.73 114.28 111.58 1kmi n THR 16 Ca -0.03 1.07 0.16 0.00 -2.04 0.00 0.00 64.05 63.20 1kmi n THR 16 Cb 0.20 -1.38 0.57 0.00 -1.82 0.00 0.00 70.33 67.91 1kmi n THR 16 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1kmi h MET 17 N 0.00 0.00 0.18 -2.82 -1.53 -1.77 -1.73 114.93 107.26 1kmi h MET 17 Ca 0.12 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 56.06 1kmi h MET 17 Cb 0.24 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1kmi h MET 17 CO -0.44 0.03 -1.51 0.00 0.14 0.00 0.00 176.91 175.13 1kmi h ARG 18 N 0.00 0.39 -0.33 0.39 3.08 0.10 -3.15 114.38 114.86 1kmi h ARG 18 Ca -0.00 -0.66 -0.12 0.00 0.07 0.00 0.00 59.98 59.27 1kmi h ARG 18 Cb 0.62 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1kmi h ARG 18 CO 0.00 1.29 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.83 1kmi h ARG 19 N 0.11 0.69 0.00 0.04 2.43 -1.21 0.37 114.38 116.81 1kmi h ARG 19 Ca -0.25 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.56 1kmi h ARG 19 Cb 2.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.60 1kmi h ARG 19 CO 0.21 0.89 -0.31 0.82 -1.51 0.00 0.00 179.97 180.07 1kmi h ILE 20 N 0.59 1.05 0.02 1.20 2.04 -1.41 -2.08 117.51 118.92 1kmi h ILE 20 Ca 0.08 -1.11 -0.27 0.00 1.00 0.00 0.00 64.86 64.55 1kmi h ILE 20 Cb 0.77 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1kmi h ILE 20 CO 0.06 0.30 -1.50 0.58 0.00 0.00 0.00 178.15 177.59 1kmi h VAL 21 N 0.00 1.12 0.77 1.67 2.07 -1.43 -2.96 116.25 117.50 1kmi h VAL 21 Ca -0.00 -2.90 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 1kmi h VAL 21 Cb 0.60 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1kmi h VAL 21 CO 0.04 0.69 -0.40 -0.09 0.02 0.00 0.00 177.57 177.83 1kmi h ARG 22 N 0.01 -1.04 -0.17 1.57 2.43 -0.68 -1.51 114.38 115.00 1kmi h ARG 22 Ca -0.21 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1kmi h ARG 22 Cb 1.95 0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 31.67 1kmi h ARG 22 CO 0.11 -0.69 -0.28 -0.91 -1.51 0.00 0.00 179.97 176.68 1kmi h ASN 23 N -1.08 -0.87 -1.07 -3.80 4.21 -1.52 0.97 115.58 112.42 1kmi h ASN 23 Ca -0.10 0.14 0.29 0.00 1.21 0.00 0.00 56.30 57.83 1kmi h ASN 23 Cb 0.84 0.38 -0.10 0.00 -1.12 0.00 0.00 38.32 38.33 1kmi h ASN 23 CO 0.15 -0.32 0.69 -0.07 -1.29 0.00 0.00 177.43 176.59 1kmi h LEU 24 N -0.33 0.42 -0.24 1.61 3.38 -1.38 0.66 115.31 119.44 1kmi h LEU 24 Ca 0.11 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1kmi h LEU 24 Cb 0.50 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1kmi h LEU 24 CO -0.35 0.05 -0.85 -0.07 0.09 0.00 0.00 178.44 177.30 1kmi h LEU 25 N 0.35 0.00 -0.80 1.67 3.38 0.08 -3.07 115.31 116.93 1kmi h LEU 25 Ca 0.63 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.50 1kmi h LEU 25 Cb 1.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1kmi h LEU 25 CO -0.32 0.85 -0.13 0.50 0.09 0.00 0.00 178.44 179.43 1kmi h LYS 26 N 0.00 0.77 0.00 1.13 3.64 0.25 -0.77 116.57 121.60 1kmi h LYS 26 Ca -0.01 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1kmi h LYS 26 Cb 1.54 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1kmi h LYS 26 CO 0.11 0.86 -0.24 0.93 -2.27 0.00 0.00 179.45 178.84 1kmi h GLU 27 N 0.69 0.00 -0.01 1.90 4.39 -1.08 -2.05 114.58 118.43 1kmi h GLU 27 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1kmi h GLU 27 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1kmi h GLU 27 CO 0.04 0.24 -0.10 1.28 -1.16 0.00 0.00 179.01 179.31 1kmi n LEU 28 N -3.84 1.00 0.00 1.33 4.77 -0.76 -4.93 117.00 114.57 1kmi n LEU 28 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1kmi n LEU 28 Cb 0.33 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1kmi n LEU 28 CO 0.35 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1kmi n GLY 29 N 1.23 0.54 3.42 -0.72 0.00 -0.77 -5.05 105.19 103.85 1kmi n GLY 29 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1kmi n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kmi s PHE 30 N -2.25 2.92 -2.41 1.61 0.08 -0.37 -4.86 117.98 112.71 1kmi s PHE 30 Ca 0.00 -0.71 0.21 0.00 0.12 0.00 0.00 56.93 56.55 1kmi s PHE 30 Cb 0.00 -3.98 0.32 0.00 -0.57 0.00 0.00 43.02 38.79 1kmi s PHE 30 CO 0.00 -1.33 1.30 0.09 -0.10 0.00 0.00 175.22 175.18 1kmi n ASN 31 N 6.69 3.16 -4.15 1.36 3.02 -1.26 -3.91 115.26 120.17 1kmi n ASN 31 Ca -0.07 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 1kmi n ASN 31 Cb 0.44 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1kmi n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1kmi n ASN 32 N 1.32 4.79 -4.19 6.41 5.15 -1.26 -5.01 115.26 122.46 1kmi n ASN 32 Ca 0.16 -3.14 -0.24 0.00 -0.60 0.00 0.00 54.58 50.76 1kmi n ASN 32 Cb 0.56 -1.16 -0.14 0.00 -0.53 0.00 0.00 39.78 38.51 1kmi n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1kmi s VAL 33 N -1.51 1.43 0.10 3.44 1.01 -1.26 -1.40 120.40 122.22 1kmi s VAL 33 Ca 0.30 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1kmi s VAL 33 Cb -0.06 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1kmi s VAL 33 CO -0.09 0.24 -0.15 -1.61 0.00 0.00 0.00 175.10 173.49 1kmi s GLU 34 N -0.84 0.97 0.24 2.72 0.41 -0.54 -4.97 118.70 116.68 1kmi s GLU 34 Ca 0.06 -1.13 0.07 0.00 -0.41 0.00 0.00 54.97 53.55 1kmi s GLU 34 Cb -0.08 -0.95 -0.04 0.00 -1.78 0.00 0.00 34.13 31.28 1kmi s GLU 34 CO 0.01 0.20 0.21 -1.21 -0.49 0.00 0.00 175.26 173.97 1kmi s GLU 35 N -2.24 2.97 -0.12 1.61 2.02 -1.26 -0.44 118.70 121.24 1kmi s GLU 35 Ca 0.05 -1.01 -0.15 0.00 0.02 0.00 0.00 54.97 53.88 1kmi s GLU 35 Cb -0.07 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.59 1kmi s GLU 35 CO 0.03 0.41 0.39 0.00 0.02 0.00 0.00 175.26 176.11 1kmi s ALA 36 N -2.08 -0.97 -2.51 5.21 0.00 -0.65 -4.91 121.76 115.85 1kmi s ALA 36 Ca 0.33 0.97 0.24 0.00 0.00 0.00 0.00 51.96 53.49 1kmi s ALA 36 Cb -0.08 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.69 1kmi s ALA 36 CO 0.25 -0.21 1.20 -0.85 0.00 0.00 0.00 175.76 176.16 1kmi n GLU 37 N 2.48 1.76 -3.66 0.00 0.28 -1.26 -1.85 120.64 118.39 1kmi n GLU 37 Ca -0.15 -1.44 -0.00 0.00 -0.16 0.00 0.00 57.16 55.41 1kmi n GLU 37 Cb 0.57 -1.47 -0.01 0.00 1.43 0.00 0.00 31.44 31.96 1kmi n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1kmi s ASP 38 N -2.23 -0.10 0.19 -1.84 1.47 -1.26 -3.95 116.67 108.95 1kmi s ASP 38 Ca 0.24 -0.21 -0.16 0.00 1.18 0.00 0.00 52.55 53.60 1kmi s ASP 38 Cb 0.19 0.26 0.18 0.00 -0.34 0.00 0.00 42.92 43.21 1kmi s ASP 38 CO 0.43 -0.48 1.63 1.23 0.68 0.00 0.00 175.17 178.66 1kmi h GLY 39 N 2.00 0.31 1.01 2.12 0.00 -1.03 0.24 103.07 107.71 1kmi h GLY 39 Ca -0.28 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1kmi h GLY 39 CO 0.27 -0.22 -0.34 -2.08 0.00 0.00 0.00 176.54 174.18 1kmi h VAL 40 N -0.04 0.30 -0.20 4.60 2.07 -1.88 -0.51 116.25 120.60 1kmi h VAL 40 Ca 0.26 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.84 1kmi h VAL 40 Cb 0.44 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1kmi h VAL 40 CO -0.58 0.00 0.16 -0.78 0.02 0.00 0.00 177.57 176.39 1kmi h ASP 41 N -0.95 0.00 -0.05 0.57 3.58 -1.91 0.80 116.42 118.46 1kmi h ASP 41 Ca -0.10 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1kmi h ASP 41 Cb 0.73 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1kmi h ASP 41 CO 0.16 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.48 1kmi h ALA 42 N 1.87 0.07 -0.08 -0.78 0.00 -0.46 -2.76 119.26 117.12 1kmi h ALA 42 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1kmi h ALA 42 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1kmi h ALA 42 CO -0.00 -0.15 -0.18 -0.07 0.00 0.00 0.00 179.25 178.85 1kmi h LEU 43 N -0.32 0.11 -1.20 0.00 3.38 0.14 -0.98 115.31 116.45 1kmi h LEU 43 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1kmi h LEU 43 Cb 0.52 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1kmi h LEU 43 CO 0.01 0.30 0.19 0.78 0.09 0.00 0.00 178.44 179.82 1kmi h ASN 44 N 0.12 0.69 0.73 -0.43 -0.26 -0.75 -1.04 115.58 114.63 1kmi h ASN 44 Ca 0.02 -0.09 -0.26 0.00 -0.56 0.00 0.00 56.30 55.42 1kmi h ASN 44 Cb 0.38 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 1kmi h ASN 44 CO 0.03 0.63 -1.29 0.11 -1.06 0.00 0.00 177.43 175.85 1kmi h LYS 45 N 0.74 0.09 0.00 0.81 1.57 -1.12 -3.15 116.57 115.52 1kmi h LYS 45 Ca 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1kmi h LYS 45 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1kmi h LYS 45 CO -0.01 0.96 0.00 -0.07 -0.57 0.00 0.00 179.45 179.75 1kmi h LEU 46 N 0.03 0.00 0.01 2.94 3.38 -0.88 -1.82 115.31 118.96 1kmi h LEU 46 Ca -0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.59 1kmi h LEU 46 Cb 1.90 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.67 1kmi h LEU 46 CO 0.14 0.00 -0.99 -0.61 0.09 0.00 0.00 178.44 177.07 1kmi h GLN 47 N 0.00 0.66 -0.16 1.13 4.15 -1.16 -3.14 115.11 116.60 1kmi h GLN 47 Ca 0.00 -0.72 0.05 0.00 0.77 0.00 0.00 58.65 58.75 1kmi h GLN 47 Cb 0.39 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1kmi h GLN 47 CO 0.00 1.30 0.13 0.00 -1.93 0.00 0.00 178.83 178.33 1kmi h ALA 48 N 0.38 2.02 0.00 3.38 0.00 -1.31 -3.48 119.26 120.25 1kmi h ALA 48 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kmi h ALA 48 Cb 1.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1kmi h ALA 48 CO 0.19 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1kmi n GLY 49 N -1.51 -0.97 0.00 0.00 0.00 -1.18 -5.04 105.19 96.50 1kmi n GLY 49 Ca 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1kmi n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmi n GLY 50 N -0.48 1.54 3.77 -0.02 0.00 -1.26 -5.00 105.19 103.74 1kmi n GLY 50 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1kmi n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kmi s TYR 51 N -0.85 2.55 0.00 1.61 2.02 -1.26 -4.61 117.35 116.81 1kmi s TYR 51 Ca 0.00 1.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.96 1kmi s TYR 51 Cb 0.00 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 1kmi s TYR 51 CO 0.00 -2.83 0.12 0.41 -1.57 0.00 0.00 175.55 171.68 1kmi n GLY 52 N 0.56 0.41 3.39 0.71 0.00 -0.87 -4.99 105.19 104.39 1kmi n GLY 52 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1kmi n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kmi s PHE 53 N -0.17 -0.68 -0.06 1.61 2.19 -1.09 -3.99 117.98 115.79 1kmi s PHE 53 Ca 0.00 1.48 0.02 0.00 0.33 0.00 0.00 56.93 58.76 1kmi s PHE 53 Cb 0.00 0.32 0.01 0.00 -1.31 0.00 0.00 43.02 42.04 1kmi s PHE 53 CO 0.00 -0.36 -0.12 0.08 1.83 0.00 0.00 175.22 176.65 1kmi s VAL 54 N 1.09 1.10 -0.18 3.12 1.01 -0.34 -1.40 120.40 124.81 1kmi s VAL 54 Ca -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1kmi s VAL 54 Cb -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1kmi s VAL 54 CO -0.10 0.34 -0.18 -0.63 0.00 0.00 0.00 175.10 174.53 1kmi s ILE 55 N 0.57 1.95 0.16 2.22 1.01 -0.88 0.18 121.20 126.40 1kmi s ILE 55 Ca -0.12 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.68 1kmi s ILE 55 Cb -0.15 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1kmi s ILE 55 CO 0.03 0.51 -0.08 -0.55 0.00 0.00 0.00 174.94 174.85 1kmi s SER 56 N 1.33 1.74 0.54 3.58 0.15 -0.66 -1.45 113.70 118.93 1kmi s SER 56 Ca 0.05 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 55.69 1kmi s SER 56 Cb -0.13 0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1kmi s SER 56 CO -0.12 -0.37 0.75 -0.62 1.20 0.00 0.00 173.24 174.07 1kmi s ASP 57 N -3.18 5.22 -0.12 5.45 2.15 -0.65 -0.10 116.67 125.44 1kmi s ASP 57 Ca 0.18 -0.35 -0.10 0.00 0.43 0.00 0.00 52.55 52.71 1kmi s ASP 57 Cb 0.03 -0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 42.17 1kmi s ASP 57 CO 0.02 -1.17 -0.20 1.87 -0.17 0.00 0.00 175.17 175.51 1kmi n TRP 58 N -2.24 0.27 -2.23 -5.34 -0.00 -1.26 -3.82 117.44 102.82 1kmi n TRP 58 Ca 0.11 0.12 -0.41 0.00 -0.00 0.00 0.00 57.50 57.32 1kmi n TRP 58 Cb 0.60 -0.46 -0.03 0.00 -0.00 0.00 0.00 31.31 31.42 1kmi n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1kmi s ASN 59 N -5.25 5.80 -0.10 5.87 2.47 -1.26 -0.07 114.94 122.41 1kmi s ASN 59 Ca -0.16 0.37 -0.18 0.00 0.42 0.00 0.00 52.86 53.30 1kmi s ASN 59 Cb 0.02 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.33 1kmi s ASN 59 CO 0.24 -1.95 0.45 -0.04 -3.72 0.00 0.00 177.10 172.08 1kmi s MET 60 N 6.08 0.68 0.72 0.43 -1.94 -1.26 -4.74 119.30 119.27 1kmi s MET 60 Ca 0.59 0.28 -0.13 0.00 -1.71 0.00 0.00 55.69 54.73 1kmi s MET 60 Cb -0.13 0.32 0.03 0.00 2.01 0.00 0.00 34.83 37.06 1kmi s MET 60 CO 0.24 -0.16 1.11 -1.25 -0.01 0.00 0.00 175.02 174.95 1kmi s PRO 61 N -0.57 2.46 0.00 2.03 0.04 -1.26 -3.16 135.00 134.54 1kmi s PRO 61 Ca -0.07 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1kmi s PRO 61 Cb -0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1kmi s PRO 61 CO 0.04 -1.51 0.00 0.09 0.04 0.00 0.00 177.00 175.66 1kmi n ASN 62 N -2.94 0.00 -3.15 6.66 3.02 -1.26 -4.44 115.26 113.15 1kmi n ASN 62 Ca 0.10 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.70 1kmi n ASN 62 Cb 0.52 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1kmi n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1kmi s MET 63 N 0.00 0.37 1.41 3.52 1.75 -1.26 -4.81 119.30 120.28 1kmi s MET 63 Ca 0.00 0.48 -0.22 0.00 -1.25 0.00 0.00 55.69 54.70 1kmi s MET 63 Cb 0.00 0.24 0.36 0.00 2.84 0.00 0.00 34.83 38.27 1kmi s MET 63 CO 0.00 -0.59 0.93 0.16 -0.65 0.00 0.00 175.02 174.87 1kmi s ASP 64 N 2.89 -0.96 0.13 1.11 1.47 -1.19 -0.54 116.67 119.59 1kmi s ASP 64 Ca 0.15 0.93 -0.13 0.00 1.18 0.00 0.00 52.55 54.68 1kmi s ASP 64 Cb -0.09 -1.33 -0.02 0.00 -0.34 0.00 0.00 42.92 41.14 1kmi s ASP 64 CO -0.21 -5.31 1.54 1.23 0.68 0.00 0.00 175.17 173.09 1kmi h GLY 65 N -3.39 0.89 1.58 2.12 0.00 -0.58 -2.32 103.07 101.38 1kmi h GLY 65 Ca -0.45 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.09 1kmi h GLY 65 CO 0.30 0.68 0.01 -2.00 0.00 0.00 0.00 176.54 175.53 1kmi h LEU 66 N 0.65 0.49 -0.88 3.11 6.46 -1.85 0.11 115.31 123.40 1kmi h LEU 66 Ca 0.11 -0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.66 1kmi h LEU 66 Cb 0.65 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1kmi h LEU 66 CO 0.04 0.55 -0.52 -0.33 -0.62 0.00 0.00 178.44 177.56 1kmi h GLU 67 N 0.50 0.09 0.01 1.25 4.39 -1.88 -2.26 114.58 116.69 1kmi h GLU 67 Ca 0.11 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1kmi h GLU 67 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1kmi h GLU 67 CO 0.01 0.60 -0.94 1.25 -1.16 0.00 0.00 179.01 178.76 1kmi h LEU 68 N 0.07 0.09 -0.15 1.33 5.85 -0.76 -2.69 115.31 119.05 1kmi h LEU 68 Ca -0.00 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1kmi h LEU 68 Cb 0.95 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1kmi h LEU 68 CO 0.07 0.98 -0.08 0.25 -0.34 0.00 0.00 178.44 179.32 1kmi h LEU 69 N 0.03 0.33 -0.99 2.25 5.85 -0.59 -2.65 115.31 119.55 1kmi h LEU 69 Ca -0.03 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1kmi h LEU 69 Cb 1.63 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1kmi h LEU 69 CO 0.13 0.68 -0.32 0.11 -0.34 0.00 0.00 178.44 178.70 1kmi h LYS 70 N -0.01 0.00 -0.27 1.25 1.57 -1.50 -1.87 116.57 115.74 1kmi h LYS 70 Ca 0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1kmi h LYS 70 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1kmi h LYS 70 CO 0.02 0.32 -0.50 1.15 -0.57 0.00 0.00 179.45 179.87 1kmi h THR 71 N 0.00 1.29 0.08 -0.16 2.02 -1.41 -1.72 112.91 113.01 1kmi h THR 71 Ca -0.00 -1.70 -0.28 0.00 0.77 0.00 0.00 66.41 65.19 1kmi h THR 71 Cb 0.85 1.62 0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1kmi h THR 71 CO 0.04 0.55 -1.17 0.40 0.37 0.00 0.00 175.52 175.71 1kmi h ILE 72 N 0.58 1.30 0.00 3.11 2.04 -1.38 -2.20 117.51 120.96 1kmi h ILE 72 Ca 0.02 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1kmi h ILE 72 Cb 1.07 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1kmi h ILE 72 CO 0.11 0.74 0.00 0.03 0.00 0.00 0.00 178.15 179.02 1kmi h ARG 73 N 0.30 0.00 0.00 2.37 2.47 -1.35 -2.56 114.38 115.61 1kmi h ARG 73 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1kmi h ARG 73 Cb 1.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.15 1kmi h ARG 73 CO 0.22 0.00 -1.48 0.00 0.56 0.00 0.00 179.97 179.27 1kmi n ALA 74 N -2.06 3.55 -2.34 0.04 0.00 -0.65 -4.72 120.51 114.33 1kmi n ALA 74 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1kmi n ALA 74 Cb 0.28 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1kmi n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kmi s ASP 75 N -3.67 7.39 0.55 0.00 2.15 -0.83 -4.94 116.67 117.32 1kmi s ASP 75 Ca -0.01 1.67 0.32 0.00 0.43 0.00 0.00 52.55 54.96 1kmi s ASP 75 Cb 0.14 -2.55 1.49 0.00 -0.30 0.00 0.00 42.92 41.70 1kmi s ASP 75 CO 0.82 -0.05 2.04 1.23 -0.17 0.00 0.00 175.17 179.05 1kmi h GLY 76 N 5.68 0.00 -2.65 2.66 0.00 -1.91 -2.27 103.07 104.58 1kmi h GLY 76 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1kmi h GLY 76 CO 0.72 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.26 1kmi n ALA 77 N -2.15 2.45 -1.47 3.60 0.00 -1.26 -4.37 120.51 117.31 1kmi n ALA 77 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1kmi n ALA 77 Cb 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1kmi n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kmi n MET 78 N 1.54 0.00 -0.32 0.00 2.81 -1.17 -4.97 117.12 115.00 1kmi n MET 78 Ca 0.24 -0.09 0.22 0.00 -1.81 0.00 0.00 57.70 56.26 1kmi n MET 78 Cb 0.62 -0.26 0.44 0.00 -0.71 0.00 0.00 33.22 33.31 1kmi n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1kmi h SER 79 N 0.00 0.25 -0.21 7.83 4.64 -0.99 -0.35 113.55 124.72 1kmi h SER 79 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1kmi h SER 79 Cb 0.67 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1kmi h SER 79 CO 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 176.83 175.72 1kmi n ALA 80 N -2.47 2.48 -1.67 5.18 0.00 -1.26 -4.55 120.51 118.23 1kmi n ALA 80 Ca 0.30 -0.72 -0.44 0.00 0.00 0.00 0.00 53.44 52.58 1kmi n ALA 80 Cb 0.97 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1kmi n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kmi n LEU 81 N 0.90 3.89 -4.70 0.00 7.94 -0.14 -4.89 117.00 119.99 1kmi n LEU 81 Ca 0.17 0.94 -0.43 0.00 -1.11 0.00 0.00 56.01 55.58 1kmi n LEU 81 Cb 0.48 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 42.94 1kmi n LEU 81 CO 0.15 0.10 1.09 -2.65 -1.11 0.00 0.00 177.39 174.97 1kmi n PRO 82 N 7.01 2.30 -3.69 1.96 -0.02 -1.26 -4.89 135.00 136.41 1kmi n PRO 82 Ca 0.21 0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 62.22 1kmi n PRO 82 Cb 0.36 -2.51 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 1kmi n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kmi s VAL 83 N -0.15 0.43 -0.24 -1.45 1.01 -1.26 -1.20 120.40 117.54 1kmi s VAL 83 Ca 0.65 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1kmi s VAL 83 Cb -0.58 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1kmi s VAL 83 CO 0.51 -0.38 0.23 -0.22 0.00 0.00 0.00 175.10 175.23 1kmi s LEU 84 N 1.88 4.11 -0.07 3.92 2.96 0.13 0.36 118.68 131.96 1kmi s LEU 84 Ca 0.03 0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.89 1kmi s LEU 84 Cb -0.17 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1kmi s LEU 84 CO -0.16 0.00 0.71 -0.04 -1.32 0.00 0.00 176.35 175.55 1kmi s MET 85 N 1.27 4.43 -0.35 1.98 -1.94 0.11 -1.65 119.30 123.14 1kmi s MET 85 Ca 0.10 0.89 -0.00 0.00 -1.71 0.00 0.00 55.69 54.98 1kmi s MET 85 Cb -0.14 -3.46 0.11 0.00 2.01 0.00 0.00 34.83 33.35 1kmi s MET 85 CO 0.06 0.03 0.15 0.08 -0.01 0.00 0.00 175.02 175.34 1kmi s VAL 86 N 0.91 0.86 0.18 -6.03 1.01 0.86 0.20 120.40 118.39 1kmi s VAL 86 Ca 0.38 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1kmi s VAL 86 Cb -0.18 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1kmi s VAL 86 CO 0.18 -0.78 0.17 1.07 0.00 0.00 0.00 175.10 175.74 1kmi n THR 87 N 4.43 0.00 0.42 3.92 5.66 -0.30 -3.65 114.28 124.76 1kmi n THR 87 Ca 0.02 -1.28 0.09 0.00 -3.05 0.00 0.00 64.05 59.83 1kmi n THR 87 Cb 0.39 0.66 -0.13 0.00 -1.55 0.00 0.00 70.33 69.70 1kmi n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kmi n ALA 88 N -1.75 3.54 -1.80 1.79 0.00 -1.26 0.73 120.51 121.75 1kmi n ALA 88 Ca -0.07 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1kmi n ALA 88 Cb 0.33 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1kmi n ALA 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1kmi s GLU 89 N -3.06 4.16 0.00 0.00 0.41 -1.26 -4.73 118.70 114.22 1kmi s GLU 89 Ca -0.00 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 57.06 1kmi s GLU 89 Cb 0.13 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1kmi s GLU 89 CO 0.78 -0.63 0.38 0.00 -0.49 0.00 0.00 175.26 175.30 1kmi n ALA 90 N 3.08 1.18 -2.25 5.21 0.00 -1.26 -4.90 120.51 121.58 1kmi n ALA 90 Ca 0.11 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1kmi n ALA 90 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1kmi n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kmi s LYS 91 N -0.14 4.24 0.56 0.00 1.02 -1.26 -4.85 119.74 119.31 1kmi s LYS 91 Ca 0.00 1.91 0.42 0.00 0.02 0.00 0.00 55.97 58.32 1kmi s LYS 91 Cb 0.00 -3.75 1.58 0.00 -0.52 0.00 0.00 37.83 35.15 1kmi s LYS 91 CO 0.00 -0.68 1.65 1.57 -0.92 0.00 0.00 175.35 176.97 1kmi h LYS 92 N 8.39 0.00 0.00 1.68 2.10 -1.99 0.99 116.57 127.74 1kmi h LYS 92 Ca -0.34 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.24 1kmi h LYS 92 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1kmi h LYS 92 CO 0.94 0.00 -0.34 0.93 -2.00 0.00 0.00 179.45 178.97 1kmi h GLU 93 N 0.00 0.00 0.00 0.07 4.39 -1.99 -1.53 114.58 115.51 1kmi h GLU 93 Ca 0.72 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 60.13 1kmi h GLU 93 Cb 3.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 31.60 1kmi h GLU 93 CO -0.01 0.34 -1.74 0.09 -1.16 0.00 0.00 179.01 176.54 1kmi n ASN 94 N -3.99 0.80 -0.15 1.42 3.02 0.34 -2.35 115.26 114.34 1kmi n ASN 94 Ca -0.02 0.38 -0.10 0.00 -0.03 0.00 0.00 54.58 54.81 1kmi n ASN 94 Cb 0.40 0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1kmi n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1kmi h ILE 95 N 0.00 1.25 0.45 2.41 2.04 -1.30 -0.93 117.51 121.43 1kmi h ILE 95 Ca -0.30 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1kmi h ILE 95 Cb 1.99 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1kmi h ILE 95 CO 0.07 0.32 -0.22 0.40 0.00 0.00 0.00 178.15 178.72 1kmi h ILE 96 N 0.60 0.54 -0.78 -0.67 2.04 -1.39 -0.36 117.51 117.48 1kmi h ILE 96 Ca 0.13 -0.28 0.18 0.00 1.00 0.00 0.00 64.86 65.89 1kmi h ILE 96 Cb 0.39 0.66 -0.14 0.00 -0.74 0.00 0.00 36.82 37.00 1kmi h ILE 96 CO 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 178.15 178.20 1kmi h ALA 97 N -0.30 0.79 0.00 1.87 0.00 -1.29 0.64 119.26 120.97 1kmi h ALA 97 Ca -0.06 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1kmi h ALA 97 Cb 0.54 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1kmi h ALA 97 CO 0.10 -0.43 -0.63 0.00 0.00 0.00 0.00 179.25 178.29 1kmi h ALA 98 N 1.74 0.81 0.02 0.00 0.00 -1.14 -2.31 119.26 118.39 1kmi h ALA 98 Ca 0.42 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1kmi h ALA 98 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1kmi h ALA 98 CO -0.70 0.79 -0.01 0.00 0.00 0.00 0.00 179.25 179.33 1kmi h ALA 99 N 1.37 -0.03 0.00 0.00 0.00 0.18 -2.41 119.26 118.37 1kmi h ALA 99 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1kmi h ALA 99 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kmi h ALA 99 CO 0.08 -0.40 -0.12 1.96 0.00 0.00 0.00 179.25 180.78 1kmi h GLN 100 N -0.26 0.00 0.00 0.00 4.20 -0.27 -2.52 115.11 116.26 1kmi h GLN 100 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kmi h GLN 100 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1kmi h GLN 100 CO 0.01 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 1kmi n ALA 101 N -2.18 1.84 0.00 3.87 0.00 -0.87 -4.87 120.51 118.30 1kmi n ALA 101 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1kmi n ALA 101 Cb 0.34 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1kmi n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmi n GLY 102 N 0.38 0.98 3.72 0.00 0.00 -0.95 -4.62 105.19 104.71 1kmi n GLY 102 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1kmi n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmi s ALA 103 N -1.95 3.22 0.04 4.61 0.00 -0.93 -4.85 121.76 121.91 1kmi s ALA 103 Ca 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1kmi s ALA 103 Cb 0.00 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1kmi s ALA 103 CO 0.00 -0.08 1.41 0.77 0.00 0.00 0.00 175.76 177.86 1kmi h SER 104 N 5.95 0.30 -5.24 0.00 0.02 -0.45 -3.47 113.55 110.65 1kmi h SER 104 Ca -0.42 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.07 1kmi h SER 104 Cb 1.21 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 1kmi h SER 104 CO 0.73 0.62 -0.14 -0.83 -1.14 0.00 0.00 176.83 176.07 1kmi s GLY 105 N -3.20 0.48 -0.07 -3.77 0.00 -1.10 -4.96 107.32 94.71 1kmi s GLY 105 Ca -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 1kmi s GLY 105 CO 0.73 -0.63 0.03 -0.47 0.00 0.00 0.00 173.10 172.76 1kmi s TYR 106 N -4.00 0.40 -0.15 1.90 5.04 -1.26 0.06 117.35 119.34 1kmi s TYR 106 Ca 0.21 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1kmi s TYR 106 Cb -0.00 -0.67 0.02 0.00 0.35 0.00 0.00 41.96 41.66 1kmi s TYR 106 CO 0.07 -0.28 -0.18 0.08 -1.34 0.00 0.00 175.55 173.90 1kmi s VAL 107 N 2.06 1.78 0.04 3.14 1.01 0.54 -4.95 120.40 124.02 1kmi s VAL 107 Ca 0.05 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1kmi s VAL 107 Cb -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1kmi s VAL 107 CO -0.04 0.49 0.54 0.68 0.00 0.00 0.00 175.10 176.77 1kmi s VAL 108 N 1.18 4.84 0.17 2.92 -7.23 -1.26 -1.15 120.40 119.87 1kmi s VAL 108 Ca -0.00 1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 61.17 1kmi s VAL 108 Cb -0.14 -3.86 -0.07 0.00 0.56 0.00 0.00 36.38 32.87 1kmi s VAL 108 CO -0.07 0.53 0.56 -0.54 -0.31 0.00 0.00 175.10 175.27 1kmi s LYS 109 N -0.90 3.96 0.32 4.82 1.02 0.22 -3.63 119.74 125.55 1kmi s LYS 109 Ca 0.28 0.47 -0.27 0.00 0.02 0.00 0.00 55.97 56.47 1kmi s LYS 109 Cb -0.19 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 1kmi s LYS 109 CO 0.17 0.43 1.03 -1.25 -0.92 0.00 0.00 175.35 174.81 1kmi s PRO 110 N -2.15 4.50 0.25 -1.68 0.04 -1.26 -4.77 135.00 129.94 1kmi s PRO 110 Ca 0.40 1.56 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1kmi s PRO 110 Cb -0.14 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1kmi s PRO 110 CO 0.19 0.15 -0.18 -0.59 0.04 0.00 0.00 177.00 176.62 1kmi s PHE 111 N -1.43 2.07 0.32 0.56 -0.12 -1.24 -5.14 117.98 113.01 1kmi s PHE 111 Ca 0.50 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1kmi s PHE 111 Cb -0.25 -0.92 -0.04 0.00 -0.63 0.00 0.00 43.02 41.18 1kmi s PHE 111 CO 0.32 0.58 0.57 0.95 -0.05 0.00 0.00 175.22 177.59 1kmi s THR 112 N -2.68 5.04 0.35 -4.49 -4.23 -1.26 -4.97 115.64 103.40 1kmi s THR 112 Ca 0.27 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 1kmi s THR 112 Cb -0.03 -3.79 0.21 0.00 1.34 0.00 0.00 72.50 70.23 1kmi s THR 112 CO 0.12 -0.44 1.95 0.00 -0.54 0.00 0.00 174.62 175.71 1kmi h ALA 113 N 1.26 1.47 -0.88 3.99 0.00 -2.00 -1.42 119.26 121.68 1kmi h ALA 113 Ca -0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1kmi h ALA 113 Cb 1.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1kmi h ALA 113 CO 0.64 0.41 0.52 0.00 0.00 0.00 0.00 179.25 180.82 1kmi h ALA 114 N 1.56 1.12 -0.29 0.00 0.00 -2.00 -2.55 119.26 117.10 1kmi h ALA 114 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1kmi h ALA 114 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1kmi h ALA 114 CO -0.02 0.59 -0.31 1.15 0.00 0.00 0.00 179.25 180.66 1kmi h THR 115 N 1.21 1.28 -0.20 0.00 2.02 -1.66 -1.67 112.91 113.89 1kmi h THR 115 Ca 0.31 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1kmi h THR 115 Cb -0.03 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1kmi h THR 115 CO -0.06 0.45 0.02 0.25 0.37 0.00 0.00 175.52 176.56 1kmi h LEU 116 N 0.52 0.34 -0.85 2.58 5.85 -1.05 -2.00 115.31 120.69 1kmi h LEU 116 Ca 0.06 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1kmi h LEU 116 Cb 0.79 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1kmi h LEU 116 CO 0.06 0.54 0.29 -0.08 -0.34 0.00 0.00 178.44 178.91 1kmi h GLU 117 N 0.13 1.13 -0.95 1.25 4.81 -1.46 0.41 114.58 119.90 1kmi h GLU 117 Ca 0.06 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1kmi h GLU 117 Cb 0.35 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1kmi h GLU 117 CO 0.01 0.93 0.63 1.49 -0.73 0.00 0.00 179.01 181.33 1kmi h GLU 118 N 1.10 1.21 0.00 1.92 4.81 -1.10 -1.02 114.58 121.51 1kmi h GLU 118 Ca 0.25 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1kmi h GLU 118 Cb 0.23 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1kmi h GLU 118 CO -0.02 0.80 -0.82 1.63 -0.73 0.00 0.00 179.01 179.87 1kmi n LYS 119 N -4.41 0.28 0.08 1.92 4.76 -0.77 -2.56 118.16 117.46 1kmi n LYS 119 Ca 0.12 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 1kmi n LYS 119 Cb 0.05 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.51 1kmi n LYS 119 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1kmi h LEU 120 N 0.00 0.21 0.17 -0.35 3.38 -0.36 -3.14 115.31 115.22 1kmi h LEU 120 Ca 0.00 -0.21 -0.30 0.00 0.09 0.00 0.00 57.88 57.46 1kmi h LEU 120 Cb 0.73 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1kmi h LEU 120 CO 0.00 1.13 -1.36 0.78 0.09 0.00 0.00 178.44 179.08 1kmi h ASN 121 N 0.05 0.56 0.19 -0.43 2.35 -1.29 -2.70 115.58 114.30 1kmi h ASN 121 Ca -0.06 -0.61 -0.01 0.00 -0.55 0.00 0.00 56.30 55.07 1kmi h ASN 121 Cb 1.78 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.97 1kmi h ASN 121 CO 0.16 1.48 -0.03 0.50 -1.65 0.00 0.00 177.43 177.89 1kmi h LYS 122 N 0.10 0.00 0.08 0.81 3.64 -1.58 0.22 116.57 119.84 1kmi h LYS 122 Ca -0.19 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.89 1kmi h LYS 122 Cb 2.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.84 1kmi h LYS 122 CO 0.22 0.03 -1.62 0.82 -2.27 0.00 0.00 179.45 176.64 1kmi h ILE 123 N 0.00 1.03 0.00 2.00 2.04 -1.52 -3.15 117.51 117.90 1kmi h ILE 123 Ca -0.00 -2.74 -0.08 0.00 1.00 0.00 0.00 64.86 63.04 1kmi h ILE 123 Cb 0.13 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1kmi h ILE 123 CO 0.00 0.76 -0.36 -0.26 0.00 0.00 0.00 178.15 178.29 1kmi h PHE 124 N 0.05 0.00 0.03 1.37 0.04 -0.91 -3.07 116.94 114.45 1kmi h PHE 124 Ca -0.27 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 1kmi h PHE 124 Cb 2.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.15 1kmi h PHE 124 CO 0.05 0.36 -0.01 1.49 -0.60 0.00 0.00 178.31 179.60 1kmi h GLU 125 N 0.00 -0.03 0.00 1.51 4.57 -0.69 0.53 114.58 120.47 1kmi h GLU 125 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1kmi h GLU 125 Cb 1.01 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1kmi h GLU 125 CO 0.05 0.53 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.14 1kmi h LYS 126 N -0.62 0.00 -0.58 1.92 3.64 -1.63 -2.89 116.57 116.41 1kmi h LYS 126 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kmi h LYS 126 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1kmi h LYS 126 CO 0.01 0.04 0.00 1.28 -2.27 0.00 0.00 179.45 178.51 1kmi n LEU 127 N -3.14 3.68 -4.12 5.20 4.77 -1.16 -4.96 117.00 117.28 1kmi n LEU 127 Ca 0.01 -1.82 -0.33 0.00 -0.03 0.00 0.00 56.01 53.84 1kmi n LEU 127 Cb 0.37 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1kmi n LEU 127 CO 0.30 0.88 -0.02 0.61 -1.33 0.00 0.00 177.39 177.82 1kmi n GLY 128 N 1.49 -0.43 0.29 -0.72 0.00 -0.90 -5.03 105.19 99.89 1kmi n GLY 128 Ca 0.21 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.53 1kmi n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35