#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivp s LYS 7 N 0.00 3.90 0.27 0.11 0.00 -1.26 -4.98 119.74 117.78 3ivp s LYS 7 Ca 0.00 1.46 -0.31 0.00 0.00 0.00 0.00 55.97 57.12 3ivp s LYS 7 Cb 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 37.83 35.45 3ivp s LYS 7 CO 0.00 -0.37 1.64 -0.47 0.00 0.00 0.00 175.35 176.16 3ivp s TYR 8 N -1.82 2.79 -0.70 1.78 5.04 -1.26 -4.95 117.35 118.23 3ivp s TYR 8 Ca 0.64 0.62 -0.19 0.00 -2.44 0.00 0.00 57.07 55.70 3ivp s TYR 8 Cb -0.20 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.12 3ivp s TYR 8 CO 0.24 -3.87 0.86 0.34 -1.34 0.00 0.00 175.55 171.78 3ivp s ASP 9 N 0.73 6.33 0.00 4.32 -1.08 -1.26 -4.91 116.67 120.80 3ivp s ASP 9 Ca 0.67 -1.57 0.19 0.00 -0.52 0.00 0.00 52.55 51.32 3ivp s ASP 9 Cb -0.49 -2.34 0.96 0.00 -1.46 0.00 0.00 42.92 39.59 3ivp s ASP 9 CO 0.43 -1.14 1.59 0.33 0.52 0.00 0.00 175.17 176.91 3ivp n PHE 10 N 6.50 0.00 -0.23 -5.34 7.35 -1.26 -4.29 117.46 120.19 3ivp n PHE 10 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.63 3ivp n PHE 10 Cb 0.45 -0.30 0.06 0.00 0.35 0.00 0.00 39.48 40.04 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 0.00 1.10 -0.57 -4.13 3.08 -1.91 0.12 114.38 112.07 3ivp h ARG 11 Ca 0.00 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3ivp h ARG 11 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3ivp h ARG 11 CO 0.00 0.99 0.27 0.00 -1.07 0.00 0.00 179.97 180.16 3ivp h ALA 12 N 1.10 0.74 -0.44 0.04 0.00 -1.97 -0.81 119.26 117.92 3ivp h ALA 12 Ca 0.21 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ivp h ALA 12 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ivp h ALA 12 CO 0.01 0.31 -0.14 1.25 0.00 0.00 0.00 179.25 180.68 3ivp h LEU 13 N 0.78 0.88 -0.74 0.00 5.85 -1.75 -0.96 115.31 119.36 3ivp h LEU 13 Ca 0.20 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.66 3ivp h LEU 13 Cb 0.13 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3ivp h LEU 13 CO -0.02 1.05 0.33 1.23 -0.34 0.00 0.00 178.44 180.68 3ivp h GLY 14 N 0.69 1.12 1.08 3.75 0.00 -0.91 0.35 103.07 109.15 3ivp h GLY 14 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 3ivp h GLY 14 CO 0.05 -0.03 -0.08 -2.00 0.00 0.00 0.00 176.54 174.47 3ivp h LEU 15 N 0.51 1.01 -0.84 3.11 5.85 -0.79 -1.79 115.31 122.37 3ivp h LEU 15 Ca 0.39 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3ivp h LEU 15 Cb 0.53 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3ivp h LEU 15 CO -0.35 1.12 0.47 0.00 -0.34 0.00 0.00 178.44 179.34 3ivp h ALA 16 N 0.93 1.07 -0.28 1.25 0.00 -0.47 0.11 119.26 121.87 3ivp h ALA 16 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ivp h ALA 16 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ivp h ALA 16 CO 0.04 0.57 0.18 0.82 0.00 0.00 0.00 179.25 180.87 3ivp h ILE 17 N 1.17 1.08 -0.51 0.00 2.04 -0.80 0.49 117.51 120.97 3ivp h ILE 17 Ca 0.30 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 3ivp h ILE 17 Cb 0.01 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3ivp h ILE 17 CO -0.05 0.08 0.08 0.50 0.00 0.00 0.00 178.15 178.76 3ivp h LYS 18 N 0.37 0.85 -0.01 2.37 3.64 -1.05 0.52 116.57 123.26 3ivp h LYS 18 Ca 0.10 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3ivp h LYS 18 Cb -0.03 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ivp h LYS 18 CO -0.02 0.84 0.01 0.93 -2.27 0.00 0.00 179.45 178.93 3ivp h GLU 19 N 0.73 0.02 -0.63 1.90 5.08 -0.55 -1.19 114.58 119.94 3ivp h GLU 19 Ca 0.16 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3ivp h GLU 19 Cb 0.40 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 3ivp h GLU 19 CO 0.01 0.14 0.32 0.00 -1.00 0.00 0.00 179.01 178.48 3ivp h ALA 20 N 0.88 0.83 -0.41 3.43 0.00 -0.77 -0.29 119.26 122.93 3ivp h ALA 20 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ivp h ALA 20 Cb 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3ivp h ALA 20 CO -0.00 -0.04 0.02 -0.09 0.00 0.00 0.00 179.25 179.14 3ivp h ARG 21 N 0.59 0.13 -0.21 0.00 2.43 -0.59 -2.39 114.38 114.33 3ivp h ARG 21 Ca 0.29 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3ivp h ARG 21 Cb 0.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3ivp h ARG 21 CO -0.21 0.09 -0.42 0.87 -1.51 0.00 0.00 179.97 178.79 3ivp h LYS 22 N 0.13 0.50 0.00 0.20 1.57 -0.81 -1.20 116.57 116.97 3ivp h LYS 22 Ca 0.20 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3ivp h LYS 22 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ivp h LYS 22 CO -0.32 0.84 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.07 3ivp h LYS 23 N 0.41 0.00 -0.01 3.15 3.64 -0.79 0.24 116.57 123.22 3ivp h LYS 23 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ivp h LYS 23 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3ivp h LYS 23 CO 0.08 0.11 -0.03 1.04 -2.27 0.00 0.00 179.45 178.38 3ivp n GLN 24 N -3.37 1.15 -1.89 1.90 6.02 -0.50 -4.92 117.38 115.78 3ivp n GLN 24 Ca -0.01 -0.40 -0.16 0.00 -0.01 0.00 0.00 57.00 56.42 3ivp n GLN 24 Cb 0.30 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 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 1.13 0.66 3.85 1.08 0.00 0.07 -5.01 105.19 106.98 3ivp n GLY 25 Ca 0.20 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.17 4.43 0.57 0.99 2.01 -0.93 -5.02 118.68 116.56 3ivp s LEU 26 Ca 0.00 0.85 -0.00 0.00 0.01 0.00 0.00 54.13 54.99 3ivp s LEU 26 Cb 0.00 -2.61 0.03 0.00 0.01 0.00 0.00 46.19 43.62 3ivp s LEU 26 CO 0.00 0.30 0.81 0.42 1.01 0.00 0.00 176.35 178.89 3ivp s THR 27 N -1.15 2.78 0.33 5.49 -4.23 -1.26 -4.49 115.64 113.10 3ivp s THR 27 Ca 0.25 -0.56 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 3ivp s THR 27 Cb -0.15 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.67 3ivp s THR 27 CO 0.13 -0.05 1.75 0.03 -0.54 0.00 0.00 174.62 175.94 3ivp h ARG 28 N -0.01 0.11 -0.38 3.99 3.08 -1.98 -1.53 114.38 117.66 3ivp h ARG 28 Ca -0.43 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3ivp h ARG 28 Cb 1.29 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3ivp h ARG 28 CO 0.54 0.51 0.23 0.93 -1.07 0.00 0.00 179.97 181.11 3ivp h GLU 29 N 0.09 0.51 0.01 0.04 3.07 -1.94 0.31 114.58 116.67 3ivp h GLU 29 Ca 0.01 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3ivp h GLU 29 Cb 0.78 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3ivp h GLU 29 CO 0.06 0.37 -0.00 1.96 -1.40 0.00 0.00 179.01 180.00 3ivp h GLN 30 N 0.49 -0.01 -0.50 2.33 4.20 -1.81 -1.39 115.11 118.42 3ivp h GLN 30 Ca 0.14 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.89 3ivp h GLN 30 Cb -0.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3ivp h GLN 30 CO -0.03 0.36 0.26 0.28 -0.67 0.00 0.00 178.83 179.03 3ivp h VAL 31 N -0.37 0.97 -0.54 -0.54 2.07 -1.30 -2.65 116.25 113.89 3ivp h VAL 31 Ca -0.00 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3ivp h VAL 31 Cb 0.37 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3ivp h VAL 31 CO 0.00 0.09 0.26 1.23 0.02 0.00 0.00 177.57 179.18 3ivp h GLY 32 N 0.51 0.77 -1.75 2.17 0.00 -0.84 -1.09 103.07 102.84 3ivp h GLY 32 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3ivp h GLY 32 CO -0.14 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.48 3ivp n ALA 33 N -2.36 1.56 0.00 3.60 0.00 -0.53 0.10 120.51 122.87 3ivp n ALA 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ivp n ALA 33 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.80 0.00 -3.50 0.00 -5.35 -0.41 -4.84 119.36 106.06 3ivp n ILE 35 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 3ivp n ILE 35 Cb 0.07 -0.02 0.09 0.00 -1.74 0.00 0.00 39.64 38.04 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 -0.00 -7.14 -4.30 6.28 1.02 0.11 -5.04 120.64 111.57 3ivp n GLU 36 Ca 0.00 0.84 -0.24 0.00 -0.02 0.00 0.00 57.16 57.74 3ivp n GLU 36 Cb 0.00 -5.87 -0.12 0.00 -0.02 0.00 0.00 31.44 25.43 3ivp n GLU 36 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3ivp s ILE 37 N -3.35 1.76 0.11 -3.67 -4.36 -0.55 -5.11 121.20 106.04 3ivp s ILE 37 Ca 0.23 -1.63 -0.33 0.00 -0.26 0.00 0.00 60.65 58.66 3ivp s ILE 37 Cb -0.10 -1.63 -0.13 0.00 1.25 0.00 0.00 42.46 41.84 3ivp s ILE 37 CO 0.73 -0.10 1.68 -0.67 0.24 0.00 0.00 174.94 176.82 3ivp n ASP 38 N 0.92 3.35 -0.23 4.36 -0.08 -1.26 -4.36 116.55 119.25 3ivp n ASP 38 Ca -0.18 1.05 0.25 0.00 -1.51 0.00 0.00 54.79 54.39 3ivp n ASP 38 Cb 0.54 -1.44 0.62 0.00 2.34 0.00 0.00 41.12 43.18 3ivp n ASP 38 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ivp h PRO 39 N 6.99 0.19 -0.21 -0.67 0.11 -1.93 -1.30 132.00 135.18 3ivp h PRO 39 Ca -0.46 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3ivp h PRO 39 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ivp h PRO 39 CO 0.91 0.13 -0.39 0.00 -0.21 0.00 0.00 178.00 178.44 3ivp h ARG 40 N 0.20 0.49 -0.26 1.05 3.08 -1.94 0.22 114.38 117.22 3ivp h ARG 40 Ca 0.47 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3ivp h ARG 40 Cb 1.52 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 3ivp h ARG 40 CO -0.11 0.80 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.63 3ivp h TYR 41 N 0.41 0.55 -0.51 3.04 3.20 -1.66 -2.81 116.97 119.19 3ivp h TYR 41 Ca 0.04 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.87 3ivp h TYR 41 Cb 0.87 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 3ivp h TYR 41 CO 0.03 0.69 0.16 1.25 -1.64 0.00 0.00 178.16 178.66 3ivp h LEU 42 N 0.24 0.14 -0.80 2.82 5.85 -1.04 -1.38 115.31 121.15 3ivp h LEU 42 Ca 0.07 0.07 0.19 0.00 0.84 0.00 0.00 57.88 59.04 3ivp h LEU 42 Cb 0.51 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 3ivp h LEU 42 CO 0.02 0.11 0.22 0.74 -0.34 0.00 0.00 178.44 179.19 3ivp h THR 43 N 0.33 0.45 -0.07 1.05 2.02 -0.87 -0.50 112.91 115.31 3ivp h THR 43 Ca 0.25 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 67.18 3ivp h THR 43 Cb 0.28 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3ivp h THR 43 CO -0.27 0.05 -0.64 0.78 0.37 0.00 0.00 175.52 175.81 3ivp h ASN 44 N 0.27 0.33 -0.51 4.18 2.35 -1.08 0.10 115.58 121.23 3ivp h ASN 44 Ca 0.48 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3ivp h ASN 44 Cb 0.87 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3ivp h ASN 44 CO -0.56 0.88 0.00 0.40 -1.65 0.00 0.00 177.43 176.51 3ivp h ILE 45 N 0.21 1.26 0.09 2.81 2.04 -0.84 -1.30 117.51 121.78 3ivp h ILE 45 Ca -0.01 -1.08 -0.29 0.00 1.00 0.00 0.00 64.86 64.48 3ivp h ILE 45 Cb 1.17 0.95 0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3ivp h ILE 45 CO 0.10 0.38 -1.19 -0.33 0.00 0.00 0.00 178.15 177.11 3ivp h GLU 46 N 0.77 0.58 0.00 2.37 5.08 -0.99 -3.36 114.58 119.03 3ivp h GLU 46 Ca 0.15 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3ivp h GLU 46 Cb 0.52 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3ivp h GLU 46 CO 0.03 1.33 -1.35 0.09 -1.00 0.00 0.00 179.01 178.10 3ivp n ASN 47 N -3.77 2.03 0.00 1.42 3.02 0.35 -3.59 115.26 114.72 3ivp n ASN 47 Ca -0.12 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3ivp n ASN 47 Cb 0.96 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 41.57 3ivp n ASN 47 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ivp n LYS 48 N -1.79 -0.15 -1.48 3.52 4.76 -0.54 -5.02 118.16 117.47 3ivp n LYS 48 Ca -0.01 -0.42 -0.09 0.00 -2.87 0.00 0.00 58.31 54.92 3ivp n LYS 48 Cb 0.28 -0.77 -0.03 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.05 0.85 3.70 0.72 0.00 -1.05 -4.97 105.19 104.40 3ivp n GLY 49 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3ivp n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ivp s GLN 50 N -3.19 4.24 -0.08 1.61 0.74 -0.94 -4.56 119.66 117.49 3ivp s GLN 50 Ca 0.00 2.22 -0.30 0.00 0.05 0.00 0.00 55.36 57.34 3ivp s GLN 50 Cb 0.00 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 3ivp s GLN 50 CO 0.00 -0.62 1.35 -1.01 -0.55 0.00 0.00 175.29 174.46 3ivp s HIS 51 N 1.93 2.79 0.88 1.67 3.76 -1.26 -4.33 115.29 120.74 3ivp s HIS 51 Ca 0.69 0.88 -0.11 0.00 -0.15 0.00 0.00 55.06 56.37 3ivp s HIS 51 Cb -0.39 -3.59 0.12 0.00 1.11 0.00 0.00 32.58 29.83 3ivp s HIS 51 CO 0.31 -2.15 1.10 -1.25 -0.85 0.00 0.00 174.74 171.90 3ivp s PRO 52 N 3.00 1.37 0.96 8.40 0.04 -1.26 -5.05 135.00 142.46 3ivp s PRO 52 Ca 0.60 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 3ivp s PRO 52 Cb -0.27 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.64 3ivp s PRO 52 CO 0.22 -2.23 1.13 -1.54 0.04 0.00 0.00 177.00 174.62 3ivp s SER 53 N -3.23 2.52 0.26 6.66 1.04 -1.26 -4.80 113.70 114.88 3ivp s SER 53 Ca 0.64 2.10 -0.02 0.00 0.48 0.00 0.00 55.95 59.14 3ivp s SER 53 Cb -0.19 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 63.85 3ivp s SER 53 CO 0.57 -3.34 1.81 0.25 0.98 0.00 0.00 173.24 173.51 3ivp h LEU 54 N -2.03 0.72 -0.17 2.42 6.46 -1.99 -1.06 115.31 119.66 3ivp h LEU 54 Ca -0.46 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 3ivp h LEU 54 Cb 1.28 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 3ivp h LEU 54 CO 0.42 0.39 0.04 -0.61 -0.62 0.00 0.00 178.44 178.06 3ivp h GLN 55 N 0.82 0.11 -0.47 1.25 5.75 -1.99 0.14 115.11 120.72 3ivp h GLN 55 Ca 0.43 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.86 3ivp h GLN 55 Cb 0.43 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3ivp h GLN 55 CO -0.27 0.07 0.05 0.28 -2.65 0.00 0.00 178.83 176.31 3ivp h VAL 56 N 0.11 1.25 -0.06 2.39 2.07 -1.84 -0.09 116.25 120.08 3ivp h VAL 56 Ca 0.07 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3ivp h VAL 56 Cb 0.06 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3ivp h VAL 56 CO -0.09 0.34 -0.14 0.25 0.02 0.00 0.00 177.57 177.95 3ivp h LEU 57 N 0.65 -0.41 -0.43 2.57 5.85 -0.89 0.12 115.31 122.76 3ivp h LEU 57 Ca 0.14 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3ivp h LEU 57 Cb 0.43 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3ivp h LEU 57 CO 0.01 -0.19 0.17 0.22 -0.34 0.00 0.00 178.44 178.32 3ivp h TYR 58 N -0.20 0.31 -0.71 1.25 3.20 -0.42 -0.56 116.97 119.84 3ivp h TYR 58 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3ivp h TYR 58 Cb 0.29 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3ivp h TYR 58 CO -0.22 0.14 0.38 -0.44 -1.64 0.00 0.00 178.16 176.37 3ivp h ASP 59 N 0.36 0.89 0.19 -2.11 3.32 -0.61 -1.20 116.42 117.26 3ivp h ASP 59 Ca 0.19 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ivp h ASP 59 Cb 0.16 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ivp h ASP 59 CO -0.18 0.74 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.93 3ivp h LEU 60 N 0.98 -0.21 -0.45 1.55 3.38 -0.51 -2.04 115.31 118.00 3ivp h LEU 60 Ca 0.25 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3ivp h LEU 60 Cb 0.05 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ivp h LEU 60 CO -0.04 0.00 -0.34 -0.37 0.09 0.00 0.00 178.44 177.79 3ivp h VAL 61 N -0.42 0.65 0.18 1.22 -1.51 -1.00 -0.98 116.25 114.39 3ivp h VAL 61 Ca -0.03 -1.65 -0.31 0.00 -1.23 0.00 0.00 66.70 63.49 3ivp h VAL 61 Cb 0.33 2.11 0.03 0.00 -2.13 0.00 0.00 31.29 31.62 3ivp h VAL 61 CO 0.04 0.33 -1.35 0.77 -1.23 0.00 0.00 177.57 176.14 3ivp h SER 62 N 0.00 0.71 -0.57 4.19 4.64 -1.28 -0.92 113.55 120.32 3ivp h SER 62 Ca -0.00 -0.73 0.02 0.00 -0.47 0.00 0.00 61.79 60.61 3ivp h SER 62 Cb 1.09 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 3ivp h SER 62 CO 0.04 1.56 0.35 0.25 -0.87 0.00 0.00 176.83 178.16 3ivp h LEU 63 N 0.15 0.57 -1.82 5.97 5.85 -1.15 -3.28 115.31 121.60 3ivp h LEU 63 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3ivp h LEU 63 Cb 2.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.95 3ivp h LEU 63 CO 0.24 0.40 -0.00 0.18 -0.34 0.00 0.00 178.44 178.92 3ivp n LEU 64 N -4.75 2.77 -3.59 2.25 4.77 -0.39 -5.00 117.00 113.05 3ivp n LEU 64 Ca 0.05 -1.00 -0.21 0.00 -0.03 0.00 0.00 56.01 54.81 3ivp n LEU 64 Cb 0.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3ivp n LEU 64 CO 0.33 0.47 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.63 3ivp n ASN 65 N 1.19 -2.82 -4.59 -1.43 5.15 -0.41 -4.89 115.26 107.46 3ivp n ASN 65 Ca 0.12 -0.81 -0.34 0.00 -0.60 0.00 0.00 54.58 52.95 3ivp n ASN 65 Cb 0.53 -4.27 -0.11 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.55 4.41 -0.06 3.44 1.01 -0.84 -5.06 120.40 119.74 3ivp s VAL 66 Ca 0.15 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 3ivp s VAL 66 Cb -0.04 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3ivp s VAL 66 CO 0.80 0.49 0.96 -0.55 0.00 0.00 0.00 175.10 176.80 3ivp s SER 67 N 0.21 7.26 0.02 3.32 0.15 -1.26 -4.81 113.70 118.59 3ivp s SER 67 Ca 0.01 1.53 0.12 0.00 0.70 0.00 0.00 55.95 58.31 3ivp s SER 67 Cb -0.13 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.43 3ivp s SER 67 CO 0.01 -0.34 0.87 0.58 1.20 0.00 0.00 173.24 175.56 3ivp h VAL 68 N 4.96 1.03 -0.98 4.45 2.07 -1.98 -3.37 116.25 122.43 3ivp h VAL 68 Ca -0.36 -2.79 0.06 0.00 0.82 0.00 0.00 66.70 64.43 3ivp h VAL 68 Cb 1.18 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 33.37 3ivp h VAL 68 CO 0.80 0.59 0.63 0.44 0.02 0.00 0.00 177.57 180.05 3ivp h ASP 69 N 0.00 1.02 -0.99 0.57 5.19 -1.95 -0.91 116.42 119.36 3ivp h ASP 69 Ca -0.19 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.44 3ivp h ASP 69 Cb 1.88 -0.22 -0.09 0.00 0.18 0.00 0.00 39.33 41.08 3ivp h ASP 69 CO 0.09 0.67 0.62 -0.08 -3.12 0.00 0.00 179.24 177.42 3ivp h GLU 70 N 1.17 0.54 0.00 3.56 4.81 -1.83 0.20 114.58 123.03 3ivp h GLU 70 Ca 0.41 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 3ivp h GLU 70 Cb 0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ivp h GLU 70 CO -0.16 0.36 -1.83 1.19 -0.73 0.00 0.00 179.01 177.84 3ivp n PHE 71 N -4.66 0.27 -0.06 0.92 3.01 -0.62 -3.67 117.46 112.65 3ivp n PHE 71 Ca 0.23 0.08 -0.05 0.00 1.01 0.00 0.00 57.45 58.72 3ivp n PHE 71 Cb 0.70 -0.72 -0.15 0.00 -0.01 0.00 0.00 39.48 39.30 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 -2.47 0.30 -3.22 1.38 3.01 -0.45 -4.63 117.46 111.39 3ivp n PHE 72 Ca -0.09 0.10 -0.25 0.00 1.01 0.00 0.00 57.45 58.23 3ivp n PHE 72 Cb 0.69 -0.97 -0.06 0.00 -0.01 0.00 0.00 39.48 39.13 3ivp n PHE 72 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3ivp n LEU 73 N -2.75 2.65 -4.68 4.37 4.77 0.67 -5.06 117.00 116.96 3ivp n LEU 73 Ca -0.23 -5.26 -0.45 0.00 -0.03 0.00 0.00 56.01 50.04 3ivp n LEU 73 Cb 1.01 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3ivp n LEU 73 CO 0.44 2.17 1.31 -2.65 -1.33 0.00 0.00 177.39 177.32 3ivp n PRO 74 N 0.63 2.40 -1.51 3.23 -0.02 -1.24 -4.65 135.00 133.84 3ivp n PRO 74 Ca 0.27 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 62.21 3ivp n PRO 74 Cb 0.47 -2.68 0.01 0.00 -0.02 0.00 0.00 33.50 31.28 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 4.20 -0.92 -1.82 3.55 0.00 -1.26 -4.84 120.51 119.42 3ivp n ALA 75 Ca 0.17 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 3ivp n ALA 75 Cb 0.32 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3ivp n ALA 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ivp s SER 76 N -0.94 5.77 -0.67 0.00 0.15 -1.26 -4.94 113.70 111.81 3ivp s SER 76 Ca 0.65 1.66 -0.27 0.00 0.70 0.00 0.00 55.95 58.69 3ivp s SER 76 Cb -0.56 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.24 3ivp s SER 76 CO 0.57 -1.74 1.42 -0.94 1.20 0.00 0.00 173.24 173.74 3ivp s SER 77 N 6.80 5.99 -0.28 5.45 1.04 -1.26 -4.90 113.70 126.54 3ivp s SER 77 Ca 0.89 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.94 3ivp s SER 77 Cb -0.28 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.40 3ivp s SER 77 CO 0.34 -1.90 1.01 -1.58 0.98 0.00 0.00 173.24 172.09 3ivp s GLN 78 N 5.91 0.52 0.17 4.02 0.74 -1.26 -5.15 119.66 124.61 3ivp s GLN 78 Ca 0.45 0.63 -0.30 0.00 0.05 0.00 0.00 55.36 56.19 3ivp s GLN 78 Cb -0.09 0.25 -0.07 0.00 1.10 0.00 0.00 33.01 34.20 3ivp s GLN 78 CO 0.19 -0.06 1.11 0.54 -0.55 0.00 0.00 175.29 176.51 3ivp s VAL 79 N 0.25 3.86 -0.03 1.34 0.11 -1.26 -5.04 120.40 119.63 3ivp s VAL 79 Ca 0.03 1.58 0.07 0.00 -2.93 0.00 0.00 61.98 60.73 3ivp s VAL 79 Cb -0.05 -4.01 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 3ivp s VAL 79 CO -0.06 0.26 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.19 3ivp s LYS 80 N -0.26 2.26 0.75 1.54 1.02 -1.26 -5.13 119.74 118.67 3ivp s LYS 80 Ca 0.50 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 3ivp s LYS 80 Cb -0.30 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3ivp s LYS 80 CO 0.35 0.52 1.09 -1.54 -0.92 0.00 0.00 175.35 174.85 3ivp s SER 81 N -0.51 4.67 0.24 2.83 1.04 -1.26 -4.81 113.70 115.90 3ivp s SER 81 Ca 0.07 1.81 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 3ivp s SER 81 Cb -0.11 -2.52 0.45 0.00 0.10 0.00 0.00 66.02 63.94 3ivp s SER 81 CO 0.00 -1.92 1.70 0.74 0.98 0.00 0.00 173.24 174.74 3ivp h THR 82 N -0.97 0.56 -0.18 2.02 2.02 -2.00 -0.67 112.91 113.69 3ivp h THR 82 Ca -0.44 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 66.68 3ivp h THR 82 Cb 1.23 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 3ivp h THR 82 CO 0.52 0.06 -0.44 0.11 0.37 0.00 0.00 175.52 176.14 3ivp h LYS 83 N 0.31 -0.46 -0.65 6.66 1.79 -1.98 0.31 116.57 122.54 3ivp h LYS 83 Ca 0.41 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.98 3ivp h LYS 83 Cb 0.67 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.36 3ivp h LYS 83 CO -0.47 -0.31 0.33 -0.09 -1.08 0.00 0.00 179.45 177.83 3ivp h ARG 84 N -0.48 0.57 -0.16 3.15 1.12 -1.56 0.13 114.38 117.14 3ivp h ARG 84 Ca 0.08 -0.03 -0.17 0.00 -1.11 0.00 0.00 59.98 58.74 3ivp h ARG 84 Cb 0.63 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.46 3ivp h ARG 84 CO -0.43 0.38 -0.60 0.00 -3.11 0.00 0.00 179.97 176.20 3ivp h ARG 85 N 0.59 0.55 -0.45 0.20 3.08 -0.91 -2.24 114.38 115.19 3ivp h ARG 85 Ca 0.31 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3ivp h ARG 85 Cb 0.28 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3ivp h ARG 85 CO -0.23 0.99 0.17 1.96 -1.07 0.00 0.00 179.97 181.79 3ivp h GLN 86 N 0.41 0.68 -0.32 0.04 4.20 0.47 -2.50 115.11 118.08 3ivp h GLN 86 Ca -0.00 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.61 3ivp h GLN 86 Cb 1.16 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 3ivp h GLN 86 CO 0.11 0.62 0.13 1.25 -0.67 0.00 0.00 178.83 180.28 3ivp h LEU 87 N 0.59 0.17 -1.23 1.46 5.85 -0.64 -2.46 115.31 119.06 3ivp h LEU 87 Ca 0.15 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3ivp h LEU 87 Cb 0.20 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3ivp h LEU 87 CO -0.01 0.14 0.05 -0.33 -0.34 0.00 0.00 178.44 177.94 3ivp h GLU 88 N 0.29 0.58 -0.66 1.25 5.08 -1.33 -2.39 114.58 117.40 3ivp h GLU 88 Ca 0.14 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3ivp h GLU 88 Cb 0.09 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ivp h GLU 88 CO -0.12 0.57 0.09 -0.97 -1.00 0.00 0.00 179.01 177.58 3ivp h ASN 89 N 0.56 1.05 0.78 1.42 -1.24 -1.00 -2.78 115.58 114.37 3ivp h ASN 89 Ca 0.12 -0.26 -0.10 0.00 0.71 0.00 0.00 56.30 56.78 3ivp h ASN 89 Cb 0.28 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3ivp h ASN 89 CO 0.00 1.05 -0.47 0.11 -1.29 0.00 0.00 177.43 176.84 3ivp h LYS 90 N 1.02 0.00 -0.65 6.67 1.57 -1.06 -3.08 116.57 121.05 3ivp h LYS 90 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3ivp h LYS 90 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ivp h LYS 90 CO 0.02 0.47 0.00 0.44 -0.57 0.00 0.00 179.45 179.80 3ivp n ILE 91 N -3.62 1.94 0.27 1.86 -5.35 -0.94 -4.52 119.36 109.00 3ivp n ILE 91 Ca -0.01 -1.17 -0.15 0.00 -0.27 0.00 0.00 62.75 61.16 3ivp n ILE 91 Cb 0.55 0.02 -0.08 0.00 -1.74 0.00 0.00 39.64 38.39 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 3.93 -0.59 -0.36 7.28 3.32 -1.40 -3.18 116.42 125.42 3ivp h ASP 92 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3ivp h ASP 92 Cb 1.52 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.22 3ivp h ASP 92 CO 0.28 -0.26 0.00 -0.46 -1.72 0.00 0.00 179.24 177.08 3ivp n ASN 93 N -5.30 3.15 -4.75 6.45 0.23 -1.26 -4.93 115.26 108.85 3ivp n ASN 93 Ca -0.11 -2.33 -0.41 0.00 -0.53 0.00 0.00 54.58 51.19 3ivp n ASN 93 Cb 0.32 -0.49 -0.02 0.00 -2.08 0.00 0.00 39.78 37.51 3ivp n ASN 93 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3ivp s PHE 94 N -1.79 3.10 0.93 -2.53 2.99 -1.20 -5.02 117.98 114.45 3ivp s PHE 94 Ca 0.30 1.22 -0.13 0.00 0.00 0.00 0.00 56.93 58.32 3ivp s PHE 94 Cb 0.20 -3.71 0.15 0.00 0.00 0.00 0.00 43.02 39.67 3ivp s PHE 94 CO 0.13 -2.15 1.14 0.95 -0.00 0.00 0.00 175.22 175.29 3ivp s THR 95 N -0.37 1.98 0.41 0.64 -4.23 -1.26 -4.89 115.64 107.92 3ivp s THR 95 Ca 0.55 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.16 3ivp s THR 95 Cb -0.40 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 70.91 3ivp s THR 95 CO 0.45 0.00 1.97 -0.78 -0.54 0.00 0.00 174.62 175.72 3ivp h ASP 96 N -1.57 0.25 -0.63 3.99 1.82 -1.99 -2.23 116.42 116.06 3ivp h ASP 96 Ca -0.50 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.01 3ivp h ASP 96 Cb 1.33 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 3ivp h ASP 96 CO 0.60 0.33 0.04 0.00 -1.61 0.00 0.00 179.24 178.60 3ivp h ALA 97 N 1.71 0.84 -0.41 -0.78 0.00 -2.01 -2.83 119.26 115.78 3ivp h ALA 97 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ivp h ALA 97 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ivp h ALA 97 CO 0.01 0.65 0.21 -0.44 0.00 0.00 0.00 179.25 179.68 3ivp h ASP 98 N 0.99 0.52 0.11 0.00 3.32 -1.78 -3.03 116.42 116.54 3ivp h ASP 98 Ca 0.18 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3ivp h ASP 98 Cb 0.52 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ivp h ASP 98 CO 0.02 0.48 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.89 3ivp h LEU 99 N 0.52 0.00 -0.54 1.55 4.07 -1.26 -1.97 115.31 117.69 3ivp h LEU 99 Ca 0.14 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.94 3ivp h LEU 99 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ivp h LEU 99 CO -0.02 0.06 -0.54 -0.37 -1.08 0.00 0.00 178.44 176.49 3ivp h VAL 100 N 0.00 1.32 0.00 1.22 -1.51 -1.37 0.60 116.25 116.50 3ivp h VAL 100 Ca -0.00 -1.79 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 3ivp h VAL 100 Cb 0.14 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3ivp h VAL 100 CO 0.01 0.55 0.00 -0.38 -1.23 0.00 0.00 177.57 176.52 3ivp n ILE 101 N -3.96 0.00 0.00 7.19 5.41 -0.74 -1.05 119.36 126.21 3ivp n ILE 101 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3ivp n ILE 101 Cb 0.60 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.34 0.00 -0.14 0.38 2.13 0.21 -2.31 120.64 121.25 3ivp n GLU 103 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3ivp n GLU 103 Cb 0.01 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.91 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 0.79 -0.06 4.31 0.87 -1.34 -2.37 113.55 115.75 3ivp h SER 104 Ca 0.00 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.29 3ivp h SER 104 Cb 0.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3ivp h SER 104 CO 0.00 0.78 -0.37 0.58 -0.53 0.00 0.00 176.83 177.28 3ivp h VAL 105 N 0.82 1.29 -0.77 2.23 2.07 -1.73 0.60 116.25 120.77 3ivp h VAL 105 Ca 0.18 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 3ivp h VAL 105 Cb 0.30 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3ivp h VAL 105 CO -0.00 0.48 0.39 0.00 0.02 0.00 0.00 177.57 178.46 3ivp h ALA 106 N 1.12 0.99 -0.56 1.67 0.00 -1.73 0.38 119.26 121.12 3ivp h ALA 106 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ivp h ALA 106 Cb 0.87 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ivp h ALA 106 CO 0.07 0.52 0.22 -0.44 0.00 0.00 0.00 179.25 179.62 3ivp h ASP 107 N 1.07 0.78 -0.62 0.00 3.32 -1.15 -2.96 116.42 116.86 3ivp h ASP 107 Ca 0.27 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ivp h ASP 107 Cb 0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3ivp h ASP 107 CO -0.04 0.74 0.35 1.23 -1.72 0.00 0.00 179.24 179.80 3ivp h GLY 108 N 0.77 0.93 0.98 2.75 0.00 0.35 -1.22 103.07 107.63 3ivp h GLY 108 Ca 0.19 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3ivp h GLY 108 CO -0.01 0.39 0.26 -2.22 0.00 0.00 0.00 176.54 174.95 3ivp h ILE 109 N 0.88 1.18 -0.19 2.60 2.04 -0.18 0.11 117.51 123.96 3ivp h ILE 109 Ca 0.23 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3ivp h ILE 109 Cb 0.02 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3ivp h ILE 109 CO -0.04 0.20 -0.17 0.58 0.00 0.00 0.00 178.15 178.72 3ivp h VAL 110 N 0.66 1.33 -0.68 1.67 2.07 -1.32 0.15 116.25 120.13 3ivp h VAL 110 Ca 0.17 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3ivp h VAL 110 Cb 0.09 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3ivp h VAL 110 CO -0.02 0.40 0.45 0.50 0.02 0.00 0.00 177.57 178.91 3ivp h LYS 111 N 0.13 0.88 -0.73 1.57 3.11 -1.20 -1.07 116.57 119.27 3ivp h LYS 111 Ca 0.03 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 3ivp h LYS 111 Cb 0.70 -0.20 -0.05 0.00 -1.00 0.00 0.00 32.23 31.68 3ivp h LYS 111 CO 0.04 0.58 0.44 1.03 -2.81 0.00 0.00 179.45 178.73 3ivp h SER 112 N 0.91 0.69 -0.83 4.20 0.87 -0.60 -1.32 113.55 117.46 3ivp h SER 112 Ca 0.25 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.90 3ivp h SER 112 Cb -0.09 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 3ivp h SER 112 CO -0.06 0.46 0.54 0.50 -0.53 0.00 0.00 176.83 177.74 3ivp h LYS 113 N 0.82 0.86 -0.06 2.24 1.63 0.53 0.72 116.57 123.32 3ivp h LYS 113 Ca 0.31 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 3ivp h LYS 113 Cb 0.12 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3ivp h LYS 113 CO -0.15 0.57 -0.29 1.49 -3.45 0.00 0.00 179.45 177.62 3ivp h GLU 114 N 0.89 0.30 -0.60 1.90 4.22 -1.00 -3.27 114.58 117.01 3ivp h GLU 114 Ca 0.36 -0.24 -0.08 0.00 0.08 0.00 0.00 59.36 59.48 3ivp h GLU 114 Cb 0.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3ivp h GLU 114 CO -0.13 0.89 0.06 0.28 -2.18 0.00 0.00 179.01 177.93 3ivp h VAL 115 N -0.22 1.26 -0.00 0.32 2.07 -0.60 -3.52 116.25 115.56 3ivp h VAL 115 Ca -0.02 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3ivp h VAL 115 Cb 0.94 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3ivp h VAL 115 CO 0.06 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.64