#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ow4 n SER 0 N 0.00 0.66 -4.36 1.20 7.64 0.12 -5.03 113.62 113.85 1ow4 n SER 0 Ca 0.00 -1.31 -0.23 0.00 1.01 0.00 0.00 58.87 58.34 1ow4 n SER 0 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1ow4 n SER 0 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ow4 s SER 1 N -0.31 2.87 0.68 6.43 1.04 -0.59 -4.80 113.70 119.02 1ow4 s SER 1 Ca 0.00 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 1ow4 s SER 1 Cb 0.00 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 1ow4 s SER 1 CO 0.00 -0.01 1.07 0.42 0.98 0.00 0.00 173.24 175.70 1ow4 s THR 2 N -2.09 3.91 0.43 2.02 -4.23 -1.26 -4.95 115.64 109.47 1ow4 s THR 2 Ca 0.18 0.62 0.12 0.00 -1.18 0.00 0.00 61.69 61.43 1ow4 s THR 2 Cb -0.06 -3.59 0.20 0.00 1.34 0.00 0.00 72.50 70.39 1ow4 s THR 2 CO 0.08 -0.81 2.00 -0.61 -0.54 0.00 0.00 174.62 174.74 1ow4 h GLN 3 N -0.56 0.17 -0.68 3.99 5.75 -1.98 -2.62 115.11 119.17 1ow4 h GLN 3 Ca -0.45 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 1ow4 h GLN 3 Cb 1.23 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.72 1ow4 h GLN 3 CO 0.63 0.25 0.31 1.03 -2.65 0.00 0.00 178.83 178.40 1ow4 h SER 4 N 0.16 0.91 -0.38 -0.69 0.87 -1.93 0.48 113.55 112.97 1ow4 h SER 4 Ca 0.04 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1ow4 h SER 4 Cb 0.23 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1ow4 h SER 4 CO 0.01 0.80 0.15 0.22 -0.53 0.00 0.00 176.83 177.48 1ow4 h TYR 5 N 0.96 0.59 -0.47 2.24 5.03 -1.44 -2.01 116.97 121.86 1ow4 h TYR 5 Ca 0.23 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.42 1ow4 h TYR 5 Cb 0.14 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 1ow4 h TYR 5 CO 0.01 0.53 -0.01 0.87 -1.32 0.00 0.00 178.16 178.24 1ow4 h LYS 6 N 0.47 0.78 -0.63 1.82 1.57 -1.10 0.13 116.57 119.61 1ow4 h LYS 6 Ca 0.13 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1ow4 h LYS 6 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1ow4 h LYS 6 CO -0.01 0.79 0.07 -0.44 -0.57 0.00 0.00 179.45 179.29 1ow4 h ASP 7 N 0.72 1.01 0.04 0.86 3.32 -0.57 0.55 116.42 122.35 1ow4 h ASP 7 Ca 0.14 -0.25 -0.22 0.00 0.02 0.00 0.00 57.03 56.72 1ow4 h ASP 7 Cb 0.45 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 39.75 1ow4 h ASP 7 CO 0.02 1.02 -0.88 0.00 -1.72 0.00 0.00 179.24 177.68 1ow4 h ALA 8 N 1.09 0.05 0.08 3.45 0.00 -1.07 -3.38 119.26 119.48 1ow4 h ALA 8 Ca 0.19 -0.66 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 1ow4 h ALA 8 Cb 0.46 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ow4 h ALA 8 CO 0.02 0.51 -1.71 0.52 0.00 0.00 0.00 179.25 178.59 1ow4 h MET 9 N 0.08 0.17 -0.76 0.00 2.86 -0.95 -3.40 114.93 112.94 1ow4 h MET 9 Ca -0.12 -0.29 0.12 0.00 -2.06 0.00 0.00 59.70 57.35 1ow4 h MET 9 Cb 1.58 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 33.22 1ow4 h MET 9 CO 0.17 0.94 -0.39 0.78 1.06 0.00 0.00 176.91 179.47 1ow4 h GLY 10 N 2.13 -0.16 1.59 8.32 0.00 -1.06 0.12 103.07 114.00 1ow4 h GLY 10 Ca -0.30 0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1ow4 h GLY 10 CO 0.11 -0.18 0.25 -2.55 0.00 0.00 0.00 176.54 174.18 1ow4 h PRO 11 N -0.11 0.55 -0.10 4.80 0.11 -1.79 0.42 132.00 135.88 1ow4 h PRO 11 Ca 0.26 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1ow4 h PRO 11 Cb 0.56 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1ow4 h PRO 11 CO -0.81 0.38 -0.39 -0.07 -0.21 0.00 0.00 178.00 176.90 1ow4 h LEU 12 N 0.57 0.52 -0.69 2.35 3.38 -1.31 -2.21 115.31 117.92 1ow4 h LEU 12 Ca 0.15 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1ow4 h LEU 12 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1ow4 h LEU 12 CO -0.03 1.06 0.37 0.58 0.09 0.00 0.00 178.44 180.51 1ow4 h VAL 13 N 0.02 1.22 -0.47 1.22 2.07 -0.53 -0.44 116.25 119.33 1ow4 h VAL 13 Ca -0.02 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1ow4 h VAL 13 Cb 1.03 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1ow4 h VAL 13 CO 0.08 0.24 0.13 0.03 0.02 0.00 0.00 177.57 178.07 1ow4 h ARG 14 N 0.95 0.28 -0.62 1.57 3.08 -0.89 -1.39 114.38 117.36 1ow4 h ARG 14 Ca 0.24 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1ow4 h ARG 14 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1ow4 h ARG 14 CO -0.04 0.18 0.22 0.93 -1.07 0.00 0.00 179.97 180.20 1ow4 h GLU 15 N 0.28 0.91 0.00 0.04 5.08 -0.94 -2.52 114.58 117.44 1ow4 h GLU 15 Ca 0.23 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ow4 h GLU 15 Cb 0.26 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ow4 h GLU 15 CO -0.26 0.76 -0.15 0.00 -1.00 0.00 0.00 179.01 178.36 1ow4 h MET 17 N 0.00 0.00 0.00 0.00 2.86 -0.82 0.25 114.93 117.23 1ow4 h MET 17 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ow4 h MET 17 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ow4 h MET 17 CO 0.02 0.00 -0.09 0.41 1.06 0.00 0.00 176.91 178.30 1ow4 n GLY 18 N -1.22 -1.61 0.00 8.32 0.00 -0.67 -3.99 105.19 106.01 1ow4 n GLY 18 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ow4 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ow4 n SER 19 N -2.05 0.83 -3.95 1.61 3.41 -0.40 -5.01 113.62 108.06 1ow4 n SER 19 Ca 0.06 -1.01 -0.20 0.00 -0.26 0.00 0.00 58.87 57.45 1ow4 n SER 19 Cb 0.41 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 1ow4 n SER 19 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ow4 s VAL 20 N -0.01 0.68 -1.12 -3.33 1.01 -0.06 -5.05 120.40 112.52 1ow4 s VAL 20 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1ow4 s VAL 20 Cb 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 1ow4 s VAL 20 CO 0.00 0.24 2.95 -1.20 0.00 0.00 0.00 175.10 177.09 1ow4 n SER 21 N 3.65 7.69 -4.94 3.32 7.64 -1.26 -4.57 113.62 125.15 1ow4 n SER 21 Ca -0.22 -2.74 -0.25 0.00 1.01 0.00 0.00 58.87 56.67 1ow4 n SER 21 Cb 0.53 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 1ow4 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ow4 s ALA 22 N 0.81 3.85 0.57 -0.43 0.00 -1.26 -4.95 121.76 120.35 1ow4 s ALA 22 Ca 0.65 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1ow4 s ALA 22 Cb 0.23 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1ow4 s ALA 22 CO -0.07 0.31 0.86 0.95 0.00 0.00 0.00 175.76 177.81 1ow4 s THR 23 N -1.97 3.68 0.41 0.00 -4.23 -1.26 -4.97 115.64 107.31 1ow4 s THR 23 Ca 0.37 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1ow4 s THR 23 Cb -0.10 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.51 1ow4 s THR 23 CO 0.30 -0.43 2.01 -0.33 -0.54 0.00 0.00 174.62 175.62 1ow4 h GLU 24 N -0.08 0.34 -0.73 3.99 5.08 -2.00 -1.23 114.58 119.94 1ow4 h GLU 24 Ca -0.45 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1ow4 h GLU 24 Cb 1.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1ow4 h GLU 24 CO 0.60 0.32 0.24 -0.44 -1.00 0.00 0.00 179.01 178.73 1ow4 h ASP 25 N 0.34 1.05 -0.92 1.42 3.32 -2.00 -2.50 116.42 117.13 1ow4 h ASP 25 Ca 0.08 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ow4 h ASP 25 Cb 0.14 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1ow4 h ASP 25 CO -0.00 0.97 0.56 0.44 -1.72 0.00 0.00 179.24 179.49 1ow4 h ASP 26 N 1.09 1.10 -0.08 6.45 3.45 -1.64 -0.24 116.42 126.55 1ow4 h ASP 26 Ca 0.24 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.67 1ow4 h ASP 26 Cb 0.29 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 1ow4 h ASP 26 CO -0.01 0.84 -0.15 0.15 -1.57 0.00 0.00 179.24 178.50 1ow4 h PHE 27 N 1.27 -0.38 -0.58 4.55 3.57 -0.91 -0.43 116.94 124.02 1ow4 h PHE 27 Ca 0.33 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.90 1ow4 h PHE 27 Cb -0.06 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1ow4 h PHE 27 CO 0.00 -0.22 0.31 -0.22 -2.23 0.00 0.00 178.31 175.96 1ow4 h LYS 28 N -0.20 0.57 -0.48 1.11 3.64 -1.10 -0.71 116.57 119.40 1ow4 h LYS 28 Ca 0.08 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1ow4 h LYS 28 Cb 0.31 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1ow4 h LYS 28 CO -0.20 0.37 0.08 1.15 -2.27 0.00 0.00 179.45 178.58 1ow4 h THR 29 N 0.58 0.72 -0.15 1.00 2.02 -0.59 -0.28 112.91 116.22 1ow4 h THR 29 Ca 0.26 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1ow4 h THR 29 Cb 0.16 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1ow4 h THR 29 CO -0.17 0.04 -0.18 0.58 0.37 0.00 0.00 175.52 176.16 1ow4 h VAL 30 N 0.22 1.35 -0.76 3.16 2.07 -0.85 -1.50 116.25 119.93 1ow4 h VAL 30 Ca 0.24 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1ow4 h VAL 30 Cb 0.32 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1ow4 h VAL 30 CO -0.32 0.40 0.50 -0.07 0.02 0.00 0.00 177.57 178.11 1ow4 h LEU 31 N 0.02 0.86 -0.09 2.57 4.07 -0.85 -1.23 115.31 120.65 1ow4 h LEU 31 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ow4 h LEU 31 Cb 0.72 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1ow4 h LEU 31 CO 0.04 0.61 -0.02 0.59 -1.08 0.00 0.00 178.44 178.58 1ow4 n ASN 32 N -4.43 0.17 -3.42 -0.43 4.13 -0.14 -4.59 115.26 106.55 1ow4 n ASN 32 Ca 0.09 -0.65 -0.24 0.00 1.68 0.00 0.00 54.58 55.46 1ow4 n ASN 32 Cb 0.05 -0.11 0.06 0.00 -1.54 0.00 0.00 39.78 38.24 1ow4 n ASN 32 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ow4 n ARG 33 N -1.03 -6.46 -2.12 3.52 0.63 -0.46 0.11 116.66 110.84 1ow4 n ARG 33 Ca 0.19 0.82 -0.28 0.00 -0.92 0.00 0.00 57.85 57.65 1ow4 n ARG 33 Cb 0.20 -5.78 0.04 0.00 0.45 0.00 0.00 32.46 27.37 1ow4 n ARG 33 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1ow4 s ASN 34 N -3.08 5.53 0.19 6.15 0.01 -0.60 -4.62 114.94 118.53 1ow4 s ASN 34 Ca 0.49 0.94 -0.32 0.00 -0.71 0.00 0.00 52.86 53.26 1ow4 s ASN 34 Cb -0.22 -1.84 -0.15 0.00 0.41 0.00 0.00 41.25 39.45 1ow4 s ASN 34 CO 0.61 -1.20 1.25 -2.65 -1.51 0.00 0.00 177.10 173.59 1ow4 n PRO 35 N -2.81 1.45 -2.80 -0.60 -0.02 -1.26 -4.83 135.00 124.14 1ow4 n PRO 35 Ca 0.06 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1ow4 n PRO 35 Cb 0.57 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1ow4 n PRO 35 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ow4 n LEU 36 N 2.09 5.91 -0.07 2.45 4.77 -1.26 -4.80 117.00 126.09 1ow4 n LEU 36 Ca 0.14 -4.70 -0.12 0.00 -0.03 0.00 0.00 56.01 51.30 1ow4 n LEU 36 Cb 0.27 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 1ow4 n LEU 36 CO 0.62 1.16 0.71 -0.08 -1.33 0.00 0.00 177.39 178.47 1ow4 h GLU 37 N 6.37 0.41 -6.77 3.23 4.81 -1.97 -3.43 114.58 117.23 1ow4 h GLU 37 Ca 0.31 -0.15 -0.49 0.00 -0.13 0.00 0.00 59.36 58.90 1ow4 h GLU 37 Cb 0.76 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1ow4 h GLU 37 CO 1.36 0.65 0.34 -1.54 -0.73 0.00 0.00 179.01 179.09 1ow4 s SER 38 N -5.99 7.59 0.36 1.04 1.04 -1.26 -4.96 113.70 111.51 1ow4 s SER 38 Ca -0.14 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.27 1ow4 s SER 38 Cb 0.07 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.31 1ow4 s SER 38 CO 0.75 0.12 1.96 -0.09 0.98 0.00 0.00 173.24 176.96 1ow4 h ARG 39 N 3.98 0.75 -0.70 4.02 2.43 -2.00 -1.86 114.38 121.00 1ow4 h ARG 39 Ca -0.45 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1ow4 h ARG 39 Cb 1.20 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1ow4 h ARG 39 CO 0.67 0.49 0.46 1.79 -1.51 0.00 0.00 179.97 181.88 1ow4 h THR 40 N 0.77 1.16 -0.56 0.20 1.35 -1.93 -1.00 112.91 112.91 1ow4 h THR 40 Ca 0.31 -0.32 -0.05 0.00 -0.55 0.00 0.00 66.41 65.80 1ow4 h THR 40 Cb 0.23 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 1ow4 h THR 40 CO -0.10 0.17 0.14 0.00 -0.25 0.00 0.00 175.52 175.48 1ow4 h ALA 41 N 1.27 1.20 -0.37 6.62 0.00 -1.71 -0.78 119.26 125.49 1ow4 h ALA 41 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ow4 h ALA 41 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1ow4 h ALA 41 CO -0.07 0.55 0.21 1.96 0.00 0.00 0.00 179.25 181.90 1ow4 h GLN 42 N 0.83 0.50 -0.16 0.00 4.20 -0.86 -1.50 115.11 118.12 1ow4 h GLN 42 Ca 0.18 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 1ow4 h GLN 42 Cb 0.29 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ow4 h GLN 42 CO -0.00 0.40 -0.44 0.00 -0.67 0.00 0.00 178.83 178.12 1ow4 h LEU 44 N 0.32 0.35 -0.80 0.00 5.85 -0.82 -1.54 115.31 118.66 1ow4 h LEU 44 Ca 0.02 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 1ow4 h LEU 44 Cb 0.90 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1ow4 h LEU 44 CO 0.08 0.60 0.07 0.25 -0.34 0.00 0.00 178.44 179.09 1ow4 h LEU 45 N 0.10 0.93 -0.66 2.25 5.85 -1.18 -2.16 115.31 120.45 1ow4 h LEU 45 Ca 0.05 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1ow4 h LEU 45 Cb 0.42 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1ow4 h LEU 45 CO 0.01 0.95 0.34 0.00 -0.34 0.00 0.00 178.44 179.40 1ow4 h ALA 46 N 1.15 0.89 -0.18 1.25 0.00 -0.96 0.15 119.26 121.56 1ow4 h ALA 46 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ow4 h ALA 46 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ow4 h ALA 46 CO 0.01 -0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.32 1ow4 h ALA 48 N 0.94 1.03 -0.07 0.00 0.00 -0.70 -2.11 119.26 118.35 1ow4 h ALA 48 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1ow4 h ALA 48 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ow4 h ALA 48 CO -0.01 0.60 -0.46 -0.07 0.00 0.00 0.00 179.25 179.31 1ow4 h LEU 49 N 0.34 0.17 -0.40 0.00 3.38 -0.68 -0.40 115.31 117.71 1ow4 h LEU 49 Ca 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ow4 h LEU 49 Cb 0.81 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1ow4 h LEU 49 CO 0.06 0.61 0.16 -0.78 0.09 0.00 0.00 178.44 178.58 1ow4 h ASP 50 N 0.13 0.56 0.02 -0.43 1.82 -1.14 -1.18 116.42 116.21 1ow4 h ASP 50 Ca 0.01 -0.17 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 1ow4 h ASP 50 Cb 0.87 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1ow4 h ASP 50 CO 0.07 0.58 -0.22 0.11 -1.61 0.00 0.00 179.24 178.17 1ow4 h LYS 51 N 0.51 0.34 0.00 0.28 1.57 -0.76 -2.81 116.57 115.70 1ow4 h LYS 51 Ca 0.13 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ow4 h LYS 51 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ow4 h LYS 51 CO -0.01 0.55 0.00 1.55 -0.57 0.00 0.00 179.45 180.97 1ow4 n VAL 52 N -4.17 0.50 0.00 0.50 3.14 -0.22 -4.92 118.33 113.16 1ow4 n VAL 52 Ca -0.01 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1ow4 n VAL 52 Cb 0.36 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 1ow4 n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ow4 n GLY 53 N 1.14 1.20 0.01 7.55 0.00 -1.06 -4.76 105.19 109.27 1ow4 n GLY 53 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1ow4 n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ow4 n LEU 54 N 0.00 0.56 -4.25 0.99 7.94 -0.47 -4.86 117.00 116.91 1ow4 n LEU 54 Ca 0.00 -0.01 -0.32 0.00 -1.11 0.00 0.00 56.01 54.57 1ow4 n LEU 54 Cb 0.00 -0.22 -0.17 0.00 0.53 0.00 0.00 43.42 43.57 1ow4 n LEU 54 CO 0.00 0.11 -0.54 -0.63 -1.11 0.00 0.00 177.39 175.22 1ow4 s ILE 55 N -3.03 2.24 0.79 1.96 -1.09 -1.25 -0.77 121.20 120.04 1ow4 s ILE 55 Ca 0.10 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 57.45 1ow4 s ILE 55 Cb 0.17 -1.87 0.07 0.00 -1.58 0.00 0.00 42.46 39.24 1ow4 s ILE 55 CO 0.72 0.55 1.09 -0.94 -1.23 0.00 0.00 174.94 175.13 1ow4 s SER 56 N 0.33 4.51 0.50 3.58 1.04 0.10 -4.89 113.70 118.87 1ow4 s SER 56 Ca -0.17 1.46 0.24 0.00 0.48 0.00 0.00 55.95 57.96 1ow4 s SER 56 Cb -0.18 -2.22 1.31 0.00 0.10 0.00 0.00 66.02 65.04 1ow4 s SER 56 CO 0.08 -1.98 1.93 -0.65 0.98 0.00 0.00 173.24 173.61 1ow4 h PRO 57 N -1.09 0.13 -0.04 4.02 0.11 -2.00 -0.55 132.00 132.59 1ow4 h PRO 57 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ow4 h PRO 57 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ow4 h PRO 57 CO 0.57 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1ow4 n GLU 58 N -4.39 1.43 -0.52 1.05 4.71 -1.26 -4.90 120.64 116.76 1ow4 n GLU 58 Ca 0.14 -0.63 0.00 0.00 -0.01 0.00 0.00 57.16 56.66 1ow4 n GLU 58 Cb 0.70 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 1ow4 n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ow4 n GLY 59 N 1.07 0.73 3.85 0.62 0.00 -0.21 -5.06 105.19 106.19 1ow4 n GLY 59 Ca 0.19 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1ow4 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ow4 s ALA 60 N -2.00 3.52 0.06 4.61 0.00 -1.26 -4.80 121.76 121.90 1ow4 s ALA 60 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1ow4 s ALA 60 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1ow4 s ALA 60 CO 0.00 0.44 1.08 0.42 0.00 0.00 0.00 175.76 177.70 1ow4 s ILE 61 N -1.63 4.34 0.67 0.00 1.01 -1.26 0.01 121.20 124.33 1ow4 s ILE 61 Ca 0.43 1.75 -0.16 0.00 0.00 0.00 0.00 60.65 62.67 1ow4 s ILE 61 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1ow4 s ILE 61 CO 0.20 0.18 1.17 -0.31 0.00 0.00 0.00 174.94 176.18 1ow4 s TYR 62 N 0.72 2.34 0.23 3.97 2.02 0.05 -4.90 117.35 121.76 1ow4 s TYR 62 Ca 0.54 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.81 1ow4 s TYR 62 Cb -0.26 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 37.89 1ow4 s TYR 62 CO 0.30 -2.17 0.08 0.95 -1.57 0.00 0.00 175.55 173.14 1ow4 s THR 63 N -1.99 0.45 0.00 -0.71 -4.23 -1.26 -4.67 115.64 103.22 1ow4 s THR 63 Ca 0.73 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1ow4 s THR 63 Cb -0.26 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1ow4 s THR 63 CO 0.40 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1ow4 n GLY 64 N -0.37 3.31 0.38 3.99 0.00 -1.26 -2.29 105.19 108.95 1ow4 n GLY 64 Ca -0.01 -0.20 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1ow4 n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ow4 h ASP 65 N 3.74 0.28 1.14 1.61 3.32 -2.02 -1.57 116.42 122.91 1ow4 h ASP 65 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ow4 h ASP 65 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ow4 h ASP 65 CO 0.00 0.15 0.00 0.44 -1.72 0.00 0.00 179.24 178.11 1ow4 h ASP 66 N 0.30 0.00 0.61 6.45 3.32 -1.84 -2.03 116.42 123.22 1ow4 h ASP 66 Ca 0.32 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1ow4 h ASP 66 Cb 0.84 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1ow4 h ASP 66 CO -0.08 0.00 -0.56 -0.07 -1.72 0.00 0.00 179.24 176.81 1ow4 h LEU 67 N 0.00 0.00 -0.41 1.55 4.07 -1.35 -3.39 115.31 115.78 1ow4 h LEU 67 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1ow4 h LEU 67 Cb 0.57 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1ow4 h LEU 67 CO 0.00 0.56 0.11 0.24 -1.08 0.00 0.00 178.44 178.27 1ow4 h MET 68 N 0.00 0.65 -0.75 1.13 2.86 -1.45 -0.54 114.93 116.83 1ow4 h MET 68 Ca -0.01 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1ow4 h MET 68 Cb 1.02 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1ow4 h MET 68 CO 0.07 0.66 0.50 -1.35 1.06 0.00 0.00 176.91 177.85 1ow4 h PRO 69 N 0.52 0.91 -0.18 -0.22 0.11 -1.75 -0.30 132.00 131.08 1ow4 h PRO 69 Ca 0.13 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1ow4 h PRO 69 Cb 0.30 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ow4 h PRO 69 CO 0.00 0.60 -0.01 0.28 -0.21 0.00 0.00 178.00 178.66 1ow4 h VAL 70 N 0.94 1.27 -0.71 3.15 2.07 -1.63 -1.24 116.25 120.09 1ow4 h VAL 70 Ca 0.29 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1ow4 h VAL 70 Cb 0.02 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1ow4 h VAL 70 CO -0.08 0.28 0.45 -0.03 0.02 0.00 0.00 177.57 178.20 1ow4 h MET 71 N 0.07 0.85 -0.54 1.57 1.85 -0.79 -0.33 114.93 117.62 1ow4 h MET 71 Ca 0.05 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1ow4 h MET 71 Cb 0.42 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1ow4 h MET 71 CO 0.01 0.56 0.34 -0.97 -0.40 0.00 0.00 176.91 176.46 1ow4 h ASN 72 N 0.88 0.63 -0.34 1.39 -0.00 -0.92 0.34 115.58 117.55 1ow4 h ASN 72 Ca 0.28 -0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.54 1ow4 h ASN 72 Cb 0.01 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.16 1ow4 h ASN 72 CO -0.11 0.47 0.15 -0.09 -0.00 0.00 0.00 177.43 177.85 1ow4 h ARG 73 N 0.72 0.50 -0.29 6.67 9.65 -0.64 -0.66 114.38 130.33 1ow4 h ARG 73 Ca 0.19 -0.08 -0.16 0.00 -1.10 0.00 0.00 59.98 58.83 1ow4 h ARG 73 Cb -0.06 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.44 1ow4 h ARG 73 CO -0.04 0.48 -0.45 -0.07 2.80 0.00 0.00 179.97 182.69 1ow4 h LEU 74 N 0.41 0.89 0.00 3.80 3.38 -0.95 -3.43 115.31 119.41 1ow4 h LEU 74 Ca 0.11 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ow4 h LEU 74 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ow4 h LEU 74 CO -0.01 1.24 -0.08 -1.22 0.09 0.00 0.00 178.44 178.45 1ow4 n TYR 75 N -4.11 0.00 -4.86 1.13 4.02 0.10 -3.21 117.16 110.23 1ow4 n TYR 75 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1ow4 n TYR 75 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1ow4 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ow4 n GLY 76 N 0.38 -0.36 0.45 2.72 0.00 -0.26 -4.57 105.19 103.56 1ow4 n GLY 76 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1ow4 n GLY 76 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ow4 n PHE 77 N -0.99 0.00 0.71 1.61 1.16 -1.26 -4.60 117.46 114.09 1ow4 n PHE 77 Ca 0.00 -0.80 0.11 0.00 -1.87 0.00 0.00 57.45 54.90 1ow4 n PHE 77 Cb 0.00 -0.15 0.03 0.00 -1.61 0.00 0.00 39.48 37.75 1ow4 n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1ow4 n ASN 78 N -0.79 0.65 -4.34 5.98 3.02 -1.26 -4.81 115.26 113.71 1ow4 n ASN 78 Ca 0.11 -0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 53.90 1ow4 n ASN 78 Cb 0.72 0.77 -0.12 0.00 -0.61 0.00 0.00 39.78 40.55 1ow4 n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ow4 s ASP 79 N -3.60 5.58 0.19 6.41 -1.08 -1.26 -4.99 116.67 117.92 1ow4 s ASP 79 Ca 0.05 -1.06 -0.13 0.00 -0.52 0.00 0.00 52.55 50.89 1ow4 s ASP 79 Cb 0.15 -1.96 0.20 0.00 -1.46 0.00 0.00 42.92 39.85 1ow4 s ASP 79 CO 0.80 -0.37 1.67 0.15 0.52 0.00 0.00 175.17 177.95 1ow4 h PHE 80 N 8.35 -0.08 -0.73 -5.34 3.57 -1.99 -1.54 116.94 119.18 1ow4 h PHE 80 Ca -0.24 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 1ow4 h PHE 80 Cb 1.09 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1ow4 h PHE 80 CO 0.58 -0.14 0.26 0.87 -2.23 0.00 0.00 178.31 177.64 1ow4 h LYS 81 N 0.09 1.11 -0.02 1.11 1.57 -1.98 -0.38 116.57 118.06 1ow4 h LYS 81 Ca 0.26 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1ow4 h LYS 81 Cb 0.40 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ow4 h LYS 81 CO -0.46 0.92 -0.26 1.15 -0.57 0.00 0.00 179.45 180.24 1ow4 h THR 82 N 1.07 1.49 -0.49 -0.16 2.02 -1.95 -1.93 112.91 112.97 1ow4 h THR 82 Ca 0.24 -1.82 0.04 0.00 0.77 0.00 0.00 66.41 65.64 1ow4 h THR 82 Cb 0.26 2.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.20 1ow4 h THR 82 CO -0.01 0.51 0.24 0.58 0.37 0.00 0.00 175.52 177.21 1ow4 h VAL 83 N -0.38 0.95 0.00 3.16 2.07 -1.18 -2.13 116.25 118.74 1ow4 h VAL 83 Ca -0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ow4 h VAL 83 Cb 0.96 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ow4 h VAL 83 CO 0.05 0.09 -0.06 0.24 0.02 0.00 0.00 177.57 177.91 1ow4 h MET 84 N 0.48 0.00 0.00 1.57 2.07 -0.98 -1.50 114.93 116.57 1ow4 h MET 84 Ca 0.22 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 1ow4 h MET 84 Cb 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.86 1ow4 h MET 84 CO -0.16 0.06 -0.07 0.87 1.07 0.00 0.00 176.91 178.68 1ow4 h LYS 85 N 0.00 0.00 -0.59 1.72 1.79 -0.64 -2.34 116.57 116.51 1ow4 h LYS 85 Ca -0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1ow4 h LYS 85 Cb 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1ow4 h LYS 85 CO 0.01 0.07 0.66 0.00 -1.08 0.00 0.00 179.45 179.11 1ow4 h ALA 86 N 1.93 2.35 -0.09 3.86 0.00 -1.24 -1.17 119.26 124.89 1ow4 h ALA 86 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ow4 h ALA 86 Cb 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ow4 h ALA 86 CO 0.01 -0.96 -0.01 -0.22 0.00 0.00 0.00 179.25 178.07 1ow4 h LYS 87 N 0.00 0.17 -0.92 0.00 3.64 -1.63 -0.98 116.57 116.85 1ow4 h LYS 87 Ca 0.28 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ow4 h LYS 87 Cb 1.59 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.35 1ow4 h LYS 87 CO -0.00 0.45 0.53 0.00 -2.27 0.00 0.00 179.45 178.16 1ow4 h ALA 88 N 0.71 1.20 -0.27 5.00 0.00 -1.43 -0.59 119.26 123.89 1ow4 h ALA 88 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ow4 h ALA 88 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ow4 h ALA 88 CO 0.01 0.66 0.15 0.28 0.00 0.00 0.00 179.25 180.35 1ow4 h VAL 89 N 1.27 1.11 -0.20 0.00 2.07 -1.23 0.24 116.25 119.51 1ow4 h VAL 89 Ca 0.33 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ow4 h VAL 89 Cb -0.01 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1ow4 h VAL 89 CO -0.06 0.11 0.12 -1.13 0.02 0.00 0.00 177.57 176.63 1ow4 h ASN 90 N 0.33 0.20 -0.64 0.57 -0.73 -0.92 0.11 115.58 114.51 1ow4 h ASN 90 Ca 0.09 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1ow4 h ASN 90 Cb 0.04 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1ow4 h ASN 90 CO -0.02 0.15 0.23 0.44 -0.37 0.00 0.00 177.43 177.86 1ow4 h ASP 91 N 0.25 0.91 -0.52 1.15 3.32 -0.92 -1.54 116.42 119.07 1ow4 h ASP 91 Ca 0.07 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1ow4 h ASP 91 Cb -0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ow4 h ASP 91 CO -0.03 0.85 -0.07 0.00 -1.72 0.00 0.00 179.24 178.27 1ow4 h ALA 93 N 0.92 0.74 -0.46 0.00 0.00 -0.77 -1.14 119.26 118.55 1ow4 h ALA 93 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ow4 h ALA 93 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ow4 h ALA 93 CO 0.04 0.01 0.13 -0.91 0.00 0.00 0.00 179.25 178.52 1ow4 h ASN 94 N 0.62 0.63 -0.30 0.00 2.35 -0.93 -1.16 115.58 116.80 1ow4 h ASN 94 Ca 0.24 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1ow4 h ASN 94 Cb 0.10 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1ow4 h ASN 94 CO -0.14 0.62 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.41 1ow4 h GLN 95 N 0.67 0.69 0.00 0.81 4.15 -0.53 -3.32 115.11 117.59 1ow4 h GLN 95 Ca 0.15 -0.34 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 1ow4 h GLN 95 Cb 0.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ow4 h GLN 95 CO -0.01 0.95 -1.10 -0.39 -1.93 0.00 0.00 178.83 176.36 1ow4 h VAL 96 N 0.44 0.14 -3.36 2.39 -1.51 -1.11 -3.46 116.25 109.77 1ow4 h VAL 96 Ca 0.05 -1.28 -0.53 0.00 -1.23 0.00 0.00 66.70 63.72 1ow4 h VAL 96 Cb 0.80 1.66 0.08 0.00 -2.13 0.00 0.00 31.29 31.69 1ow4 h VAL 96 CO 0.06 0.08 0.84 0.20 -1.23 0.00 0.00 177.57 177.53 1ow4 s ASN 97 N -5.50 6.46 0.00 4.19 0.02 -0.45 -1.52 114.94 118.14 1ow4 s ASN 97 Ca -0.01 2.87 0.00 0.00 -1.02 0.00 0.00 52.86 54.70 1ow4 s ASN 97 Cb 0.09 -2.63 0.00 0.00 0.02 0.00 0.00 41.25 38.73 1ow4 s ASN 97 CO 0.79 -0.85 0.00 0.61 0.02 0.00 0.00 177.10 177.68 1ow4 n GLY 98 N 2.12 2.88 0.02 0.66 0.00 -1.26 -4.87 105.19 104.74 1ow4 n GLY 98 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1ow4 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ow4 n ALA 99 N -0.28 2.72 -3.69 4.61 0.00 -0.58 -4.62 120.51 118.69 1ow4 n ALA 99 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 1ow4 n ALA 99 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.96 1ow4 n ALA 99 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ow4 s TYR 100 N -3.03 1.40 0.41 0.00 2.02 -1.26 -5.00 117.35 111.90 1ow4 s TYR 100 Ca 0.12 -1.57 0.12 0.00 -0.37 0.00 0.00 57.07 55.37 1ow4 s TYR 100 Cb 0.17 -1.53 0.97 0.00 -0.40 0.00 0.00 41.96 41.17 1ow4 s TYR 100 CO 0.60 -0.86 1.95 -1.00 -1.57 0.00 0.00 175.55 174.67 1ow4 h PRO 101 N 8.09 0.48 -6.05 -1.71 0.13 -1.97 -3.41 132.00 127.56 1ow4 h PRO 101 Ca -0.14 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.39 1ow4 h PRO 101 Cb 1.01 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.97 1ow4 h PRO 101 CO 0.46 0.32 0.35 0.34 -0.23 0.00 0.00 178.00 179.24 1ow4 s ASP 102 N -6.13 7.04 0.42 1.44 -1.08 -1.26 -4.94 116.67 112.16 1ow4 s ASP 102 Ca -0.08 1.27 0.08 0.00 -0.52 0.00 0.00 52.55 53.30 1ow4 s ASP 102 Cb 0.20 -2.47 0.90 0.00 -1.46 0.00 0.00 42.92 40.09 1ow4 s ASP 102 CO 0.76 -0.34 2.06 0.03 0.52 0.00 0.00 175.17 178.20 1ow4 h ARG 103 N 7.14 0.49 0.05 4.34 3.08 -1.99 -1.59 114.38 125.91 1ow4 h ARG 103 Ca -0.33 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.42 1ow4 h ARG 103 Cb 1.15 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.11 1ow4 h ARG 103 CO 0.81 0.33 -1.11 0.00 -1.07 0.00 0.00 179.97 178.93 1ow4 h ASP 105 N 0.30 1.13 -0.36 0.00 3.45 -1.74 -0.49 116.42 118.71 1ow4 h ASP 105 Ca -0.14 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.34 1ow4 h ASP 105 Cb 1.77 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 40.23 1ow4 h ASP 105 CO 0.21 0.80 0.11 0.25 -1.57 0.00 0.00 179.24 179.04 1ow4 h LEU 106 N 1.32 0.11 -0.51 1.55 5.85 -1.30 -1.17 115.31 121.16 1ow4 h LEU 106 Ca 0.38 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.99 1ow4 h LEU 106 Cb -0.10 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ow4 h LEU 106 CO -0.10 0.10 -0.44 0.40 -0.34 0.00 0.00 178.44 178.07 1ow4 h ILE 107 N 0.26 1.29 -0.15 4.05 1.08 -1.34 0.27 117.51 122.96 1ow4 h ILE 107 Ca 0.16 -1.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.03 1ow4 h ILE 107 Cb 0.15 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1ow4 h ILE 107 CO -0.18 0.52 0.01 0.50 -0.69 0.00 0.00 178.15 178.32 1ow4 h LYS 108 N 0.59 0.07 -0.49 2.37 1.63 -0.78 -1.05 116.57 118.91 1ow4 h LYS 108 Ca 0.04 -0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.71 1ow4 h LYS 108 Cb 0.99 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1ow4 h LYS 108 CO 0.09 0.05 -0.19 -0.91 -3.45 0.00 0.00 179.45 175.04 1ow4 h ASN 109 N 0.07 1.01 -0.01 4.20 2.35 -1.10 -1.37 115.58 120.72 1ow4 h ASN 109 Ca 0.07 -0.39 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1ow4 h ASN 109 Cb 0.07 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1ow4 h ASN 109 CO -0.11 1.16 -0.21 0.15 -1.65 0.00 0.00 177.43 176.77 1ow4 h PHE 110 N 0.84 -0.56 -0.34 1.19 3.57 -0.85 -0.57 116.94 120.22 1ow4 h PHE 110 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 1ow4 h PHE 110 Cb 0.76 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1ow4 h PHE 110 CO 0.05 -0.30 -0.23 1.79 -2.23 0.00 0.00 178.31 177.39 1ow4 h THR 111 N -0.33 1.27 -0.45 4.41 1.35 -1.14 -1.07 112.91 116.94 1ow4 h THR 111 Ca 0.06 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 1ow4 h THR 111 Cb 0.42 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1ow4 h THR 111 CO -0.20 0.43 0.15 0.44 -0.25 0.00 0.00 175.52 176.09 1ow4 h ASP 112 N 0.59 0.65 -0.47 5.36 3.45 -1.10 -1.30 116.42 123.60 1ow4 h ASP 112 Ca 0.08 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1ow4 h ASP 112 Cb 0.71 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 1ow4 h ASP 112 CO 0.05 0.67 0.29 0.00 -1.57 0.00 0.00 179.24 178.69 1ow4 h VAL 114 N 0.63 1.25 -0.43 0.00 2.07 -1.10 -2.54 116.25 116.13 1ow4 h VAL 114 Ca 0.17 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1ow4 h VAL 114 Cb -0.04 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1ow4 h VAL 114 CO -0.03 0.34 0.04 -0.09 0.02 0.00 0.00 177.57 177.85 1ow4 h ARG 115 N 0.96 0.67 0.00 1.57 2.43 -0.79 -2.66 114.38 116.56 1ow4 h ARG 115 Ca 0.21 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ow4 h ARG 115 Cb 0.32 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ow4 h ARG 115 CO -0.00 0.66 0.00 -0.91 -1.51 0.00 0.00 179.97 178.21 1ow4 h ASN 116 N 0.65 0.00 -3.40 -3.80 -0.26 -0.92 -3.45 115.58 104.41 1ow4 h ASN 116 Ca 0.14 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.35 1ow4 h ASN 116 Cb 0.34 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1ow4 h ASN 116 CO 0.01 0.00 0.45 -0.44 -1.06 0.00 0.00 177.43 176.38 1ow4 s SER 117 N -5.75 7.28 0.00 5.81 0.01 -0.98 -5.09 113.70 114.98 1ow4 s SER 117 Ca 0.06 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.28 1ow4 s SER 117 Cb 0.07 -2.58 0.56 0.00 0.21 0.00 0.00 66.02 64.28 1ow4 s SER 117 CO 0.61 -0.29 1.01 0.00 0.41 0.00 0.00 173.24 174.98