#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivp n ASP 6 N 0.00 6.92 -4.77 1.62 5.68 -1.26 -4.99 116.55 119.75 3ivp n ASP 6 Ca 0.00 -3.78 -0.39 0.00 -0.50 0.00 0.00 54.79 50.12 3ivp n ASP 6 Cb 0.00 -0.81 -0.03 0.00 -1.14 0.00 0.00 41.12 39.14 3ivp n ASP 6 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3ivp s LYS 7 N -3.79 4.30 0.28 0.11 2.20 -1.26 -5.02 119.74 116.56 3ivp s LYS 7 Ca 0.60 1.82 -0.29 0.00 -0.36 0.00 0.00 55.97 57.74 3ivp s LYS 7 Cb 0.48 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.83 3ivp s LYS 7 CO -0.04 -0.10 1.38 -0.47 -0.36 0.00 0.00 175.35 175.76 3ivp s TYR 8 N -1.34 3.04 -0.62 4.03 5.04 -1.26 -4.96 117.35 121.29 3ivp s TYR 8 Ca 0.52 1.19 -0.22 0.00 -2.44 0.00 0.00 57.07 56.12 3ivp s TYR 8 Cb -0.31 -3.75 0.07 0.00 0.35 0.00 0.00 41.96 38.32 3ivp s TYR 8 CO 0.39 -2.31 0.90 0.34 -1.34 0.00 0.00 175.55 173.53 3ivp s ASP 9 N 0.05 6.21 0.00 4.32 -1.08 -1.26 -4.91 116.67 120.00 3ivp s ASP 9 Ca 0.55 -0.91 0.31 0.00 -0.52 0.00 0.00 52.55 51.98 3ivp s ASP 9 Cb -0.41 -2.40 1.66 0.00 -1.46 0.00 0.00 42.92 40.31 3ivp s ASP 9 CO 0.47 -1.31 2.09 0.33 0.52 0.00 0.00 175.17 177.27 3ivp n PHE 10 N 7.35 0.00 -0.35 -5.34 7.35 -1.26 -4.43 117.46 120.79 3ivp n PHE 10 Ca -0.04 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.64 3ivp n PHE 10 Cb 0.45 -0.02 0.11 0.00 0.35 0.00 0.00 39.48 40.38 3ivp n PHE 10 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ivp h ARG 11 N 0.60 1.19 -0.30 -4.13 3.08 -1.91 0.70 114.38 113.61 3ivp h ARG 11 Ca 0.00 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3ivp h ARG 11 Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3ivp h ARG 11 CO 0.00 0.79 -0.22 0.00 -1.07 0.00 0.00 179.97 179.47 3ivp h ALA 12 N 1.36 0.43 -0.65 0.04 0.00 -1.97 -1.01 119.26 117.46 3ivp h ALA 12 Ca 0.36 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ivp h ALA 12 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ivp h ALA 12 CO -0.10 0.39 0.38 1.25 0.00 0.00 0.00 179.25 181.16 3ivp h LEU 13 N 0.42 0.80 -0.65 0.00 5.85 -1.75 -0.89 115.31 119.09 3ivp h LEU 13 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3ivp h LEU 13 Cb 0.77 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3ivp h LEU 13 CO 0.06 0.64 0.33 1.23 -0.34 0.00 0.00 178.44 180.36 3ivp h GLY 14 N 0.89 0.99 1.02 3.75 0.00 -0.74 -0.11 103.07 108.87 3ivp h GLY 14 Ca 0.23 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3ivp h GLY 14 CO -0.04 0.45 0.07 -2.00 0.00 0.00 0.00 176.54 175.02 3ivp h LEU 15 N 0.89 0.91 -1.35 3.11 5.85 -1.12 -1.04 115.31 122.55 3ivp h LEU 15 Ca 0.22 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3ivp h LEU 15 Cb 0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3ivp h LEU 15 CO -0.03 0.95 0.46 0.00 -0.34 0.00 0.00 178.44 179.48 3ivp h ALA 16 N 0.99 1.58 -0.46 1.25 0.00 -0.51 -0.14 119.26 121.97 3ivp h ALA 16 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ivp h ALA 16 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ivp h ALA 16 CO 0.02 0.36 0.09 0.82 0.00 0.00 0.00 179.25 180.53 3ivp h ILE 17 N 0.86 1.24 -0.54 0.00 2.04 -0.79 -1.46 117.51 118.86 3ivp h ILE 17 Ca 0.27 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3ivp h ILE 17 Cb 0.02 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3ivp h ILE 17 CO -0.07 0.31 0.06 0.50 0.00 0.00 0.00 178.15 178.94 3ivp h LYS 18 N 0.62 0.91 -0.55 2.37 3.64 -0.56 -1.23 116.57 121.76 3ivp h LYS 18 Ca 0.14 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 3ivp h LYS 18 Cb 0.36 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3ivp h LYS 18 CO 0.01 0.90 -0.09 0.93 -2.27 0.00 0.00 179.45 178.92 3ivp h GLU 19 N 0.79 1.03 -0.56 1.90 5.08 -0.90 -1.51 114.58 120.41 3ivp h GLU 19 Ca 0.16 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3ivp h GLU 19 Cb 0.45 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ivp h GLU 19 CO 0.02 1.06 0.29 0.00 -1.00 0.00 0.00 179.01 179.38 3ivp h ALA 20 N 0.96 0.73 -0.21 3.43 0.00 -1.12 0.25 119.26 123.30 3ivp h ALA 20 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ivp h ALA 20 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ivp h ALA 20 CO 0.05 0.27 0.14 -0.09 0.00 0.00 0.00 179.25 179.61 3ivp h ARG 21 N 0.76 0.27 -0.23 0.00 2.43 -1.02 -0.26 114.38 116.34 3ivp h ARG 21 Ca 0.20 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3ivp h ARG 21 Cb 0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3ivp h ARG 21 CO -0.03 0.18 -0.03 0.87 -1.51 0.00 0.00 179.97 179.45 3ivp h LYS 22 N 0.28 0.42 -0.68 0.20 1.57 -1.07 -1.66 116.57 115.63 3ivp h LYS 22 Ca 0.08 -0.15 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3ivp h LYS 22 Cb -0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3ivp h LYS 22 CO -0.02 0.64 0.46 -0.22 -0.57 0.00 0.00 179.45 179.73 3ivp h LYS 23 N 0.17 0.37 -0.27 3.15 3.64 -0.32 -0.55 116.57 122.76 3ivp h LYS 23 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ivp h LYS 23 Cb 0.47 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3ivp h LYS 23 CO 0.02 0.24 0.00 1.04 -2.27 0.00 0.00 179.45 178.48 3ivp n GLN 24 N -4.47 1.80 -1.44 1.90 6.02 -0.12 -4.92 117.38 116.14 3ivp n GLN 24 Ca 0.12 -1.22 -0.07 0.00 -0.01 0.00 0.00 57.00 55.82 3ivp n GLN 24 Cb 0.48 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 3ivp n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ivp n GLY 25 N 1.11 0.70 3.86 1.08 0.00 -0.21 -5.02 105.19 106.70 3ivp n GLY 25 Ca 0.14 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3ivp n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivp s LEU 26 N -1.69 4.31 0.63 0.99 1.02 -0.67 -5.03 118.68 118.25 3ivp s LEU 26 Ca 0.00 0.43 -0.06 0.00 0.02 0.00 0.00 54.13 54.52 3ivp s LEU 26 Cb 0.00 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.16 3ivp s LEU 26 CO 0.00 0.40 0.94 0.42 0.02 0.00 0.00 176.35 178.13 3ivp s THR 27 N -1.04 3.10 0.33 5.49 -4.23 -1.26 -4.41 115.64 113.61 3ivp s THR 27 Ca 0.16 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3ivp s THR 27 Cb -0.12 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.62 3ivp s THR 27 CO 0.05 -0.27 1.88 0.03 -0.54 0.00 0.00 174.62 175.76 3ivp h ARG 28 N -0.33 0.58 -0.58 3.99 3.08 -1.98 -2.17 114.38 116.98 3ivp h ARG 28 Ca -0.45 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 3ivp h ARG 28 Cb 1.28 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 3ivp h ARG 28 CO 0.60 0.58 0.32 0.93 -1.07 0.00 0.00 179.97 181.32 3ivp h GLU 29 N 0.56 0.81 -0.25 0.04 3.07 -1.94 0.61 114.58 117.48 3ivp h GLU 29 Ca 0.12 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3ivp h GLU 29 Cb 0.30 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3ivp h GLU 29 CO 0.01 0.62 0.07 1.96 -1.40 0.00 0.00 179.01 180.27 3ivp h GLN 30 N 0.78 0.18 -0.83 2.33 4.20 -1.88 -1.35 115.11 118.54 3ivp h GLN 30 Ca 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ivp h GLN 30 Cb 0.05 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3ivp h GLN 30 CO -0.03 0.12 0.50 0.28 -0.67 0.00 0.00 178.83 179.03 3ivp h VAL 31 N 0.18 1.23 0.40 -0.54 2.07 -1.14 -3.02 116.25 115.44 3ivp h VAL 31 Ca 0.11 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3ivp h VAL 31 Cb 0.09 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3ivp h VAL 31 CO -0.13 0.24 -0.26 1.23 0.02 0.00 0.00 177.57 178.67 3ivp h GLY 32 N 1.14 -0.67 -1.84 2.17 0.00 -0.74 -1.07 103.07 102.05 3ivp h GLY 32 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3ivp h GLY 32 CO -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.23 3ivp n ALA 33 N -2.47 1.09 0.00 3.60 0.00 -0.52 0.13 120.51 122.34 3ivp n ALA 33 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ivp n ALA 33 Cb 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3ivp n ALA 33 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ivp n ILE 35 N 0.76 0.00 -2.60 0.00 -5.35 -0.41 -4.93 119.36 106.83 3ivp n ILE 35 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3ivp n ILE 35 Cb 0.00 -0.35 0.04 0.00 -1.74 0.00 0.00 39.64 37.59 3ivp n ILE 35 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ivp n GLU 36 N -0.12 -2.61 -4.32 6.28 -0.58 0.12 -5.05 120.64 114.37 3ivp n GLU 36 Ca 0.00 0.42 -0.17 0.00 -0.42 0.00 0.00 57.16 56.99 3ivp n GLU 36 Cb 0.00 -4.00 -0.10 0.00 -0.57 0.00 0.00 31.44 26.77 3ivp n GLU 36 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3ivp s ILE 37 N -3.18 1.27 -0.04 -3.67 -4.36 -0.81 -5.09 121.20 105.31 3ivp s ILE 37 Ca 0.07 -2.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3ivp s ILE 37 Cb -0.01 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 3ivp s ILE 37 CO 0.36 -0.50 1.03 -0.62 0.24 0.00 0.00 174.94 175.45 3ivp s ASP 38 N -3.28 7.27 0.29 4.36 -1.08 -1.26 -4.33 116.67 118.64 3ivp s ASP 38 Ca 0.24 1.65 0.02 0.00 -0.52 0.00 0.00 52.55 53.94 3ivp s ASP 38 Cb 0.03 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.66 3ivp s ASP 38 CO 0.06 -0.38 1.63 -0.65 0.52 0.00 0.00 175.17 176.35 3ivp h PRO 39 N 6.97 0.15 -0.45 4.34 0.11 -1.94 0.52 132.00 141.71 3ivp h PRO 39 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3ivp h PRO 39 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3ivp h PRO 39 CO 0.81 0.10 0.13 0.00 -0.21 0.00 0.00 178.00 178.83 3ivp h ARG 40 N 0.16 0.65 -0.37 1.05 -0.00 -1.96 -2.04 114.38 111.88 3ivp h ARG 40 Ca 0.56 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.98 59.82 3ivp h ARG 40 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 31.01 3ivp h ARG 40 CO -0.71 0.57 -0.22 -0.92 0.00 0.00 0.00 179.97 178.70 3ivp h TYR 41 N 0.64 0.93 -0.95 3.04 3.20 -1.33 -2.88 116.97 119.62 3ivp h TYR 41 Ca 0.15 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.85 3ivp h TYR 41 Cb 0.20 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 3ivp h TYR 41 CO 0.01 1.00 0.60 1.25 -1.64 0.00 0.00 178.16 179.38 3ivp h LEU 42 N 0.59 0.95 -0.69 2.82 5.85 -0.71 -1.92 115.31 122.20 3ivp h LEU 42 Ca 0.08 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.93 3ivp h LEU 42 Cb 0.77 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3ivp h LEU 42 CO 0.06 0.60 0.27 0.74 -0.34 0.00 0.00 178.44 179.77 3ivp h THR 43 N 1.08 0.71 -0.00 1.05 2.02 -1.24 0.92 112.91 117.45 3ivp h THR 43 Ca 0.42 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 67.25 3ivp h THR 43 Cb 0.20 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3ivp h THR 43 CO -0.18 0.08 -0.85 0.78 0.37 0.00 0.00 175.52 175.71 3ivp h ASN 44 N 0.43 0.23 -0.32 4.18 2.35 -1.22 0.31 115.58 121.54 3ivp h ASN 44 Ca 0.37 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3ivp h ASN 44 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3ivp h ASN 44 CO -0.36 0.98 -0.14 0.40 -1.65 0.00 0.00 177.43 176.66 3ivp h ILE 45 N 0.10 1.29 -0.11 2.81 2.04 -0.91 -0.74 117.51 122.00 3ivp h ILE 45 Ca -0.04 -1.24 -0.21 0.00 1.00 0.00 0.00 64.86 64.37 3ivp h ILE 45 Cb 1.48 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3ivp h ILE 45 CO 0.13 0.40 -0.79 -0.33 0.00 0.00 0.00 178.15 177.56 3ivp h GLU 46 N 0.44 0.62 0.00 2.37 5.08 -0.60 -3.37 114.58 119.11 3ivp h GLU 46 Ca 0.07 -0.52 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 3ivp h GLU 46 Cb 0.66 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3ivp h GLU 46 CO 0.04 1.14 -1.70 0.09 -1.00 0.00 0.00 179.01 177.58 3ivp n ASN 47 N -3.88 1.97 0.00 1.42 5.03 0.11 -3.43 115.26 116.47 3ivp n ASN 47 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3ivp n ASN 47 Cb 0.75 1.27 0.00 0.00 -1.02 0.00 0.00 39.78 40.78 3ivp n ASN 47 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ivp n LYS 48 N -2.17 0.80 -1.44 3.52 4.76 -0.31 -5.01 118.16 118.32 3ivp n LYS 48 Ca -0.10 -0.78 -0.15 0.00 -2.87 0.00 0.00 58.31 54.41 3ivp n LYS 48 Cb 0.58 -0.82 -0.06 0.00 -1.84 0.00 0.00 35.03 32.88 3ivp n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ivp n GLY 49 N -0.18 1.48 3.70 0.72 0.00 -1.06 -4.97 105.19 104.88 3ivp n GLY 49 Ca 0.00 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 3ivp n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ivp n GLN 50 N -1.92 2.41 -2.71 1.61 7.27 -1.07 -4.47 117.38 118.50 3ivp n GLN 50 Ca -0.15 0.86 -0.42 0.00 0.07 0.00 0.00 57.00 57.36 3ivp n GLN 50 Cb 0.57 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.58 3ivp n GLN 50 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3ivp s HIS 51 N 0.42 3.59 0.75 3.69 3.76 -1.26 -4.40 115.29 121.84 3ivp s HIS 51 Ca 0.71 1.63 -0.12 0.00 -0.15 0.00 0.00 55.06 57.13 3ivp s HIS 51 Cb -0.58 -3.14 0.04 0.00 1.11 0.00 0.00 32.58 30.01 3ivp s HIS 51 CO 0.43 -0.11 1.13 -1.25 -0.85 0.00 0.00 174.74 174.09 3ivp s PRO 52 N 1.49 2.44 0.96 8.40 0.04 -1.26 -5.05 135.00 142.03 3ivp s PRO 52 Ca 0.50 0.34 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 3ivp s PRO 52 Cb -0.20 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.53 3ivp s PRO 52 CO 0.23 -1.30 1.13 -1.54 0.04 0.00 0.00 177.00 175.55 3ivp s SER 53 N -4.40 2.53 0.26 6.66 1.04 -1.26 -4.76 113.70 113.77 3ivp s SER 53 Ca 0.60 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 59.11 3ivp s SER 53 Cb -0.11 -2.53 0.48 0.00 0.10 0.00 0.00 66.02 63.96 3ivp s SER 53 CO 0.51 -3.33 1.81 0.25 0.98 0.00 0.00 173.24 173.46 3ivp h LEU 54 N -2.03 0.76 0.05 2.42 6.46 -1.99 0.21 115.31 121.19 3ivp h LEU 54 Ca -0.46 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.35 3ivp h LEU 54 Cb 1.28 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 3ivp h LEU 54 CO 0.43 0.40 -0.02 -0.61 -0.62 0.00 0.00 178.44 178.01 3ivp h GLN 55 N 0.85 -0.07 -0.44 1.25 5.75 -1.99 -0.82 115.11 119.64 3ivp h GLN 55 Ca 0.45 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.88 3ivp h GLN 55 Cb 0.46 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 3ivp h GLN 55 CO -0.27 -0.04 -0.03 0.28 -2.65 0.00 0.00 178.83 176.11 3ivp h VAL 56 N -0.07 1.24 0.24 2.39 2.07 -1.85 -1.07 116.25 119.20 3ivp h VAL 56 Ca -0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3ivp h VAL 56 Cb 0.05 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3ivp h VAL 56 CO 0.01 0.36 -0.16 0.25 0.02 0.00 0.00 177.57 178.05 3ivp h LEU 57 N 0.69 -0.39 -0.30 2.57 5.85 -0.58 -1.24 115.31 121.91 3ivp h LEU 57 Ca 0.13 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3ivp h LEU 57 Cb 0.48 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 3ivp h LEU 57 CO 0.02 -0.25 -0.06 0.22 -0.34 0.00 0.00 178.44 178.04 3ivp h TYR 58 N -0.39 -0.13 -0.66 1.25 3.20 -0.95 -1.55 116.97 117.75 3ivp h TYR 58 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ivp h TYR 58 Cb 0.33 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3ivp h TYR 58 CO -0.10 -0.11 0.43 -0.44 -1.64 0.00 0.00 178.16 176.30 3ivp h ASP 59 N 0.02 0.77 0.02 -2.11 3.32 -1.01 -0.75 116.42 116.67 3ivp h ASP 59 Ca 0.14 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ivp h ASP 59 Cb 0.21 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ivp h ASP 59 CO -0.29 0.57 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.72 3ivp h LEU 60 N 0.90 -0.02 -0.90 1.55 3.38 -0.97 -0.22 115.31 119.03 3ivp h LEU 60 Ca 0.24 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3ivp h LEU 60 Cb -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ivp h LEU 60 CO -0.05 0.35 -0.50 -0.37 0.09 0.00 0.00 178.44 177.96 3ivp h VAL 61 N -0.39 1.35 -0.07 1.22 -1.51 -1.15 -0.46 116.25 115.24 3ivp h VAL 61 Ca -0.00 -1.73 -0.22 0.00 -1.23 0.00 0.00 66.70 63.53 3ivp h VAL 61 Cb 0.38 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3ivp h VAL 61 CO 0.00 0.50 -0.84 0.77 -1.23 0.00 0.00 177.57 176.78 3ivp h SER 62 N 0.10 0.68 -0.65 4.19 4.64 -1.18 0.16 113.55 121.50 3ivp h SER 62 Ca 0.00 -0.48 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 3ivp h SER 62 Cb 0.92 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3ivp h SER 62 CO 0.07 1.26 0.15 0.25 -0.87 0.00 0.00 176.83 177.69 3ivp h LEU 63 N 0.35 0.98 0.00 5.97 5.85 -0.72 -3.31 115.31 124.43 3ivp h LEU 63 Ca -0.06 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3ivp h LEU 63 Cb 1.45 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3ivp h LEU 63 CO 0.15 0.96 -0.93 0.18 -0.34 0.00 0.00 178.44 178.47 3ivp n LEU 64 N -4.30 0.92 -2.60 2.25 4.77 -0.21 -5.01 117.00 112.81 3ivp n LEU 64 Ca 0.04 -0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.41 3ivp n LEU 64 Cb 0.25 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3ivp n LEU 64 CO 0.42 0.23 0.07 -3.20 -1.33 0.00 0.00 177.39 173.57 3ivp n ASN 65 N -1.47 -2.18 -4.58 -1.43 5.15 0.52 -4.95 115.26 106.33 3ivp n ASN 65 Ca 0.04 -0.41 -0.34 0.00 -0.60 0.00 0.00 54.58 53.26 3ivp n ASN 65 Cb 0.31 -3.54 -0.11 0.00 -0.53 0.00 0.00 39.78 35.91 3ivp n ASN 65 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ivp s VAL 66 N -3.24 4.51 -0.06 3.44 1.01 -0.89 -4.87 120.40 120.30 3ivp s VAL 66 Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3ivp s VAL 66 Cb -0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3ivp s VAL 66 CO 0.48 0.46 1.23 -0.55 0.00 0.00 0.00 175.10 176.71 3ivp s SER 67 N 0.47 7.02 0.05 3.32 0.15 -1.26 -4.81 113.70 118.64 3ivp s SER 67 Ca 0.01 1.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.43 3ivp s SER 67 Cb -0.13 -2.56 -0.30 0.00 -1.71 0.00 0.00 66.02 61.32 3ivp s SER 67 CO 0.01 -0.61 1.04 0.58 1.20 0.00 0.00 173.24 175.46 3ivp h VAL 68 N 5.05 1.37 -0.97 4.45 2.07 -1.97 -3.35 116.25 122.90 3ivp h VAL 68 Ca -0.34 -2.92 0.13 0.00 0.82 0.00 0.00 66.70 64.39 3ivp h VAL 68 Cb 1.16 2.93 -0.08 0.00 -1.52 0.00 0.00 31.29 33.78 3ivp h VAL 68 CO 0.89 0.86 0.62 0.44 0.02 0.00 0.00 177.57 180.40 3ivp h ASP 69 N 0.09 0.85 -1.02 0.57 3.32 -1.92 0.11 116.42 118.42 3ivp h ASP 69 Ca -0.19 0.05 0.25 0.00 0.02 0.00 0.00 57.03 57.16 3ivp h ASP 69 Cb 2.03 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 41.35 3ivp h ASP 69 CO 0.21 0.44 0.63 -0.08 -1.72 0.00 0.00 179.24 178.72 3ivp h GLU 70 N 0.91 0.51 -0.00 3.56 4.81 -1.86 -0.81 114.58 121.69 3ivp h GLU 70 Ca 0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3ivp h GLU 70 Cb 0.56 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3ivp h GLU 70 CO -0.25 0.34 -0.70 1.19 -0.73 0.00 0.00 179.01 178.86 3ivp n PHE 71 N -4.76 0.00 -0.10 0.92 3.01 0.27 -4.59 117.46 112.21 3ivp n PHE 71 Ca 0.26 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.60 3ivp n PHE 71 Cb 0.78 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.11 3ivp n PHE 71 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3ivp n PHE 72 N -1.14 0.00 -4.14 1.38 3.01 -0.49 -5.00 117.46 111.07 3ivp n PHE 72 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 3ivp n PHE 72 Cb 0.28 -0.92 -0.08 0.00 -0.01 0.00 0.00 39.48 38.75 3ivp n PHE 72 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ivp s LEU 73 N -5.66 3.48 0.07 4.37 1.43 -0.38 -5.07 118.68 116.91 3ivp s LEU 73 Ca -0.16 -0.22 -0.35 0.00 -1.03 0.00 0.00 54.13 52.37 3ivp s LEU 73 Cb 0.06 -2.17 -0.14 0.00 0.03 0.00 0.00 46.19 43.97 3ivp s LEU 73 CO 0.70 0.14 1.63 -2.65 0.23 0.00 0.00 176.35 176.40 3ivp n PRO 74 N 0.26 1.98 -1.63 1.29 -0.02 -1.26 -4.76 135.00 130.86 3ivp n PRO 74 Ca -0.10 0.72 -0.47 0.00 -2.02 0.00 0.00 63.50 61.63 3ivp n PRO 74 Cb 0.53 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3ivp n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ivp n ALA 75 N 4.21 0.25 -3.83 3.55 0.00 -1.26 -4.90 120.51 118.54 3ivp n ALA 75 Ca 0.19 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 54.02 3ivp n ALA 75 Cb 0.27 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3ivp n ALA 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ivp s SER 76 N 0.32 -0.10 0.00 0.00 1.04 -1.26 -5.02 113.70 108.67 3ivp s SER 76 Ca 0.74 -0.78 0.21 0.00 0.48 0.00 0.00 55.95 56.60 3ivp s SER 76 Cb -0.76 0.69 0.93 0.00 0.10 0.00 0.00 66.02 66.98 3ivp s SER 76 CO 0.48 -1.33 1.69 -1.54 0.98 0.00 0.00 173.24 173.53 3ivp n SER 77 N -0.94 0.00 -0.24 7.02 3.41 -1.26 -2.22 113.62 119.39 3ivp n SER 77 Ca -0.06 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.16 3ivp n SER 77 Cb 0.60 -0.49 0.58 0.00 -0.26 0.00 0.00 64.21 64.64 3ivp n SER 77 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ivp n GLN 78 N -1.49 1.05 -3.93 4.33 -0.06 -1.26 -4.80 117.38 111.22 3ivp n GLN 78 Ca 0.06 -0.47 -0.35 0.00 -2.00 0.00 0.00 57.00 54.23 3ivp n GLN 78 Cb 0.25 -1.49 -0.14 0.00 -4.06 0.00 0.00 30.24 24.80 3ivp n GLN 78 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3ivp s VAL 79 N -2.28 3.59 -0.61 1.69 1.01 -0.94 -5.07 120.40 117.78 3ivp s VAL 79 Ca 0.33 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 3ivp s VAL 79 Cb 0.20 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 34.05 3ivp s VAL 79 CO 0.43 0.41 0.76 -0.54 0.00 0.00 0.00 175.10 176.16 3ivp s LYS 80 N 1.40 3.07 1.01 2.72 1.02 -1.26 -4.77 119.74 122.94 3ivp s LYS 80 Ca 0.05 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 3ivp s LYS 80 Cb -0.14 -4.27 0.20 0.00 -0.52 0.00 0.00 37.83 33.09 3ivp s LYS 80 CO -0.01 -1.60 1.08 -1.13 -0.92 0.00 0.00 175.35 172.77 3ivp n SER 81 N 6.57 -0.44 -0.32 2.83 3.41 -1.26 -4.69 113.62 119.72 3ivp n SER 81 Ca -0.08 0.21 0.15 0.00 -0.26 0.00 0.00 58.87 58.89 3ivp n SER 81 Cb 0.43 -1.40 0.34 0.00 -0.26 0.00 0.00 64.21 63.32 3ivp n SER 81 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ivp h THR 82 N -2.18 0.53 -0.32 6.66 2.02 -1.89 -0.80 112.91 116.93 3ivp h THR 82 Ca -0.50 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 3ivp h THR 82 Cb 1.29 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3ivp h THR 82 CO 0.44 0.09 -0.23 0.50 0.37 0.00 0.00 175.52 176.69 3ivp h LYS 83 N 0.51 0.71 -0.68 6.66 1.63 -1.94 -1.55 116.57 121.91 3ivp h LYS 83 Ca 0.59 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3ivp h LYS 83 Cb 1.10 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 3ivp h LYS 83 CO -0.49 0.96 0.44 -0.09 -3.45 0.00 0.00 179.45 176.82 3ivp h ARG 84 N 0.47 0.90 -0.24 1.90 9.65 -1.62 -0.39 114.38 125.06 3ivp h ARG 84 Ca 0.06 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 3ivp h ARG 84 Cb 0.79 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3ivp h ARG 84 CO 0.06 0.61 -0.30 0.00 2.80 0.00 0.00 179.97 183.14 3ivp h ARG 85 N 0.92 0.48 -0.13 0.20 3.08 -0.88 -0.18 114.38 117.87 3ivp h ARG 85 Ca 0.25 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ivp h ARG 85 Cb -0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3ivp h ARG 85 CO -0.05 0.73 0.07 1.96 -1.07 0.00 0.00 179.97 181.61 3ivp h GLN 86 N 0.42 0.18 -0.17 0.04 4.20 -1.04 -1.79 115.11 116.94 3ivp h GLN 86 Ca 0.05 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.78 3ivp h GLN 86 Cb 0.74 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 3ivp h GLN 86 CO 0.06 0.21 -0.07 1.25 -0.67 0.00 0.00 178.83 179.61 3ivp h LEU 87 N 0.10 -0.25 -0.87 1.46 5.85 -0.65 -1.48 115.31 119.46 3ivp h LEU 87 Ca 0.04 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ivp h LEU 87 Cb 0.09 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3ivp h LEU 87 CO -0.01 -0.10 0.56 -0.33 -0.34 0.00 0.00 178.44 178.23 3ivp h GLU 88 N -0.05 1.05 -0.75 1.25 5.08 -0.86 -0.08 114.58 120.22 3ivp h GLU 88 Ca 0.09 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3ivp h GLU 88 Cb 0.19 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 3ivp h GLU 88 CO -0.21 0.70 0.41 -0.91 -1.00 0.00 0.00 179.01 178.00 3ivp h ASN 89 N 1.09 0.58 -0.50 1.42 2.35 -0.97 -1.91 115.58 117.64 3ivp h ASN 89 Ca 0.35 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 56.11 3ivp h ASN 89 Cb 0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3ivp h ASN 89 CO -0.12 0.34 0.18 0.11 -1.65 0.00 0.00 177.43 176.30 3ivp h LYS 90 N 0.71 0.81 -0.32 0.81 1.57 0.01 -3.18 116.57 116.97 3ivp h LYS 90 Ca 0.36 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ivp h LYS 90 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ivp h LYS 90 CO -0.23 0.69 0.00 0.44 -0.57 0.00 0.00 179.45 179.78 3ivp n ILE 91 N -4.31 0.41 -0.29 1.86 -5.35 -0.53 -4.47 119.36 106.69 3ivp n ILE 91 Ca 0.04 -0.63 0.11 0.00 -0.27 0.00 0.00 62.75 62.00 3ivp n ILE 91 Cb 0.19 0.84 0.26 0.00 -1.74 0.00 0.00 39.64 39.18 3ivp n ILE 91 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ivp h ASP 92 N 3.90 -0.08 -0.45 7.28 3.45 -1.35 -0.73 116.42 128.44 3ivp h ASP 92 Ca 0.00 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3ivp h ASP 92 Cb 0.86 0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3ivp h ASP 92 CO 0.00 -0.16 0.00 0.59 -1.57 0.00 0.00 179.24 178.10 3ivp n ASN 93 N -5.25 2.61 -4.77 6.45 4.13 -1.26 -4.97 115.26 112.20 3ivp n ASN 93 Ca 0.19 -1.96 -0.40 0.00 1.68 0.00 0.00 54.58 54.09 3ivp n ASN 93 Cb 0.63 -0.30 -0.02 0.00 -1.54 0.00 0.00 39.78 38.55 3ivp n ASN 93 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ivp s PHE 94 N -1.41 3.09 1.03 3.10 0.40 -0.28 -5.04 117.98 118.87 3ivp s PHE 94 Ca 0.34 1.46 -0.16 0.00 -0.60 0.00 0.00 56.93 57.96 3ivp s PHE 94 Cb 0.18 -3.62 0.21 0.00 0.51 0.00 0.00 43.02 40.31 3ivp s PHE 94 CO 0.24 -1.70 1.22 0.95 0.70 0.00 0.00 175.22 176.63 3ivp s THR 95 N -1.17 1.87 0.16 0.64 -4.23 -1.26 -4.90 115.64 106.74 3ivp s THR 95 Ca 0.50 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3ivp s THR 95 Cb -0.38 -2.79 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 3ivp s THR 95 CO 0.50 0.00 1.42 0.44 -0.54 0.00 0.00 174.62 176.44 3ivp h ASP 96 N -1.91 0.62 -0.31 3.99 3.32 -1.98 -2.00 116.42 118.15 3ivp h ASP 96 Ca -0.46 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.15 3ivp h ASP 96 Cb 1.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3ivp h ASP 96 CO 0.41 1.14 0.02 0.00 -1.72 0.00 0.00 179.24 179.09 3ivp h ALA 97 N 0.85 1.27 -0.31 3.45 0.00 -1.99 0.31 119.26 122.85 3ivp h ALA 97 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ivp h ALA 97 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ivp h ALA 97 CO 0.13 0.49 0.14 -0.44 0.00 0.00 0.00 179.25 179.57 3ivp h ASP 98 N 0.61 0.41 -0.22 0.00 3.32 -1.91 -2.83 116.42 115.80 3ivp h ASP 98 Ca 0.13 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3ivp h ASP 98 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3ivp h ASP 98 CO 0.01 0.43 0.01 -0.07 -1.72 0.00 0.00 179.24 177.90 3ivp h LEU 99 N 0.36 0.46 -0.97 1.55 4.07 -0.56 -2.66 115.31 117.57 3ivp h LEU 99 Ca 0.11 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 3ivp h LEU 99 Cb 0.14 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3ivp h LEU 99 CO -0.01 0.52 -0.22 -0.37 -1.08 0.00 0.00 178.44 177.29 3ivp h VAL 100 N 0.48 1.26 0.00 1.22 -1.51 -0.23 0.47 116.25 117.94 3ivp h VAL 100 Ca 0.11 -1.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 3ivp h VAL 100 Cb 0.30 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3ivp h VAL 100 CO 0.01 0.39 0.00 -0.38 -1.23 0.00 0.00 177.57 176.35 3ivp n ILE 101 N -4.14 0.00 0.00 7.19 5.41 -1.00 -1.60 119.36 125.22 3ivp n ILE 101 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ivp n ILE 101 Cb 0.38 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 3ivp n ILE 101 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ivp n GLU 103 N 0.40 0.00 -0.30 0.38 2.13 0.17 -1.94 120.64 121.47 3ivp n GLU 103 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3ivp n GLU 103 Cb 0.00 0.00 0.14 0.00 0.27 0.00 0.00 31.44 31.85 3ivp n GLU 103 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ivp h SER 104 N 0.00 0.81 0.63 4.31 0.87 -1.53 -1.31 113.55 117.32 3ivp h SER 104 Ca 0.00 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 3ivp h SER 104 Cb 0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3ivp h SER 104 CO 0.00 0.52 -0.73 1.62 -0.53 0.00 0.00 176.83 177.71 3ivp h VAL 105 N 0.94 1.49 -0.68 2.23 3.04 -1.65 -0.68 116.25 120.93 3ivp h VAL 105 Ca 0.37 -2.40 -0.04 0.00 -1.01 0.00 0.00 66.70 63.61 3ivp h VAL 105 Cb 0.17 2.29 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 3ivp h VAL 105 CO -0.17 0.69 0.25 0.00 -1.01 0.00 0.00 177.57 177.33 3ivp h ALA 106 N 1.21 0.89 -0.68 3.17 0.00 -1.70 0.42 119.26 122.56 3ivp h ALA 106 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3ivp h ALA 106 Cb 1.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3ivp h ALA 106 CO 0.10 0.53 0.23 -0.44 0.00 0.00 0.00 179.25 179.67 3ivp h ASP 107 N 0.98 0.98 -0.36 0.00 3.32 -1.04 -1.97 116.42 118.33 3ivp h ASP 107 Ca 0.23 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3ivp h ASP 107 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3ivp h ASP 107 CO -0.01 0.91 0.11 1.23 -1.72 0.00 0.00 179.24 179.76 3ivp h GLY 108 N 0.99 0.68 0.93 2.75 0.00 -0.76 0.23 103.07 107.89 3ivp h GLY 108 Ca 0.22 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3ivp h GLY 108 CO -0.01 0.34 0.02 -2.22 0.00 0.00 0.00 176.54 174.66 3ivp h ILE 109 N 0.62 1.25 0.88 2.60 2.04 -0.68 0.20 117.51 124.42 3ivp h ILE 109 Ca 0.14 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3ivp h ILE 109 Cb 0.22 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3ivp h ILE 109 CO -0.01 0.32 -0.49 0.58 0.00 0.00 0.00 178.15 178.55 3ivp h VAL 110 N 0.49 0.01 -0.51 1.67 2.07 -1.01 -2.65 116.25 116.30 3ivp h VAL 110 Ca 0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3ivp h VAL 110 Cb 0.44 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3ivp h VAL 110 CO 0.02 0.00 0.34 0.11 0.02 0.00 0.00 177.57 178.06 3ivp h LYS 111 N -1.27 0.65 -0.91 1.57 1.57 -0.98 -0.46 116.57 116.74 3ivp h LYS 111 Ca -0.12 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 58.79 3ivp h LYS 111 Cb 1.00 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 3ivp h LYS 111 CO 0.15 0.43 0.58 1.03 -0.57 0.00 0.00 179.45 181.08 3ivp h SER 112 N 0.67 0.58 0.54 0.86 0.87 -0.51 -2.27 113.55 114.29 3ivp h SER 112 Ca 0.19 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3ivp h SER 112 Cb -0.04 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3ivp h SER 112 CO -0.04 0.27 -0.25 0.11 -0.53 0.00 0.00 176.83 176.38 3ivp h LYS 113 N 0.60 0.00 -0.00 2.24 1.57 -0.71 -1.89 116.57 118.38 3ivp h LYS 113 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3ivp h LYS 113 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3ivp h LYS 113 CO -0.22 0.25 -0.19 0.39 -0.57 0.00 0.00 179.45 179.12 3ivp n GLU 114 N -3.71 0.30 0.00 3.15 1.02 -0.86 -5.14 120.64 115.39 3ivp n GLU 114 Ca -0.01 -0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.13 3ivp n GLU 114 Cb 0.36 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.37 3ivp n GLU 114 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59