#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guz s THR 54 N 0.00 3.88 0.20 3.17 -4.23 -1.26 -4.91 115.64 112.49 2guz s THR 54 Ca 0.00 0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 2guz s THR 54 Cb 0.00 -3.32 0.13 0.00 1.34 0.00 0.00 72.50 70.65 2guz s THR 54 CO 0.00 -0.75 1.82 -0.07 -0.54 0.00 0.00 174.62 175.08 2guz h LEU 55 N -0.55 0.59 -0.35 4.79 3.38 -1.99 -1.84 115.31 119.34 2guz h LEU 55 Ca -0.44 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2guz h LEU 55 Cb 1.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2guz h LEU 55 CO 0.56 0.39 0.22 -0.78 0.09 0.00 0.00 178.44 178.92 2guz h ASP 56 N 0.72 0.37 -0.58 -0.43 3.58 -1.99 -0.90 116.42 117.18 2guz h ASP 56 Ca 0.28 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.64 2guz h ASP 56 Cb 0.11 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2guz h ASP 56 CO -0.14 0.27 0.05 -0.08 -2.88 0.00 0.00 179.24 176.46 2guz h GLU 57 N 0.45 0.99 -0.60 0.28 4.81 -1.91 -1.08 114.58 117.51 2guz h GLU 57 Ca 0.13 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2guz h GLU 57 Cb -0.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2guz h GLU 57 CO -0.05 0.96 0.35 0.77 -0.73 0.00 0.00 179.01 180.32 2guz h SER 58 N 0.88 0.56 -0.31 1.04 0.02 -1.16 0.27 113.55 114.86 2guz h SER 58 Ca 0.17 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2guz h SER 58 Cb 0.48 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2guz h SER 58 CO 0.02 0.38 -0.10 0.00 -1.14 0.00 0.00 176.83 175.99 2guz h LYS 60 N 0.37 0.12 -0.71 0.00 1.57 -0.71 0.26 116.57 117.47 2guz h LYS 60 Ca 0.07 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 2guz h LYS 60 Cb 0.60 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2guz h LYS 60 CO 0.03 0.08 0.36 0.82 -0.57 0.00 0.00 179.45 180.17 2guz h ILE 61 N 0.12 0.86 -0.01 1.86 2.04 -0.84 -2.58 117.51 118.95 2guz h ILE 61 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2guz h ILE 61 Cb 0.14 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2guz h ILE 61 CO -0.18 0.11 -0.16 0.18 0.00 0.00 0.00 178.15 178.10 2guz n LEU 62 N -4.85 1.52 -3.29 1.44 4.77 -0.81 -4.96 117.00 110.82 2guz n LEU 62 Ca 0.11 -0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 55.45 2guz n LEU 62 Cb 0.26 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2guz n LEU 62 CO 0.25 0.27 0.08 -3.20 -1.33 0.00 0.00 177.39 173.46 2guz n ASN 63 N -0.06 -3.29 -4.48 -1.43 4.05 0.55 -4.91 115.26 105.69 2guz n ASN 63 Ca 0.15 -0.62 -0.37 0.00 0.45 0.00 0.00 54.58 54.19 2guz n ASN 63 Cb 0.39 -4.96 -0.12 0.00 1.23 0.00 0.00 39.78 36.32 2guz n ASN 63 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2guz s ILE 64 N -3.35 4.54 -0.40 -1.44 -1.09 0.61 -5.02 121.20 115.05 2guz s ILE 64 Ca 0.12 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2guz s ILE 64 Cb -0.02 -3.14 0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2guz s ILE 64 CO 0.70 0.31 0.25 -1.61 -1.23 0.00 0.00 174.94 173.36 2guz s GLU 65 N 1.65 2.79 0.21 2.79 2.02 -1.26 -4.56 118.70 122.33 2guz s GLU 65 Ca 0.06 -1.21 -0.10 0.00 0.02 0.00 0.00 54.97 53.74 2guz s GLU 65 Cb -0.15 -3.81 0.15 0.00 0.10 0.00 0.00 34.13 30.42 2guz s GLU 65 CO 0.05 -0.81 1.87 1.49 0.02 0.00 0.00 175.26 177.88 2guz h GLU 66 N 8.48 1.01 -0.03 1.61 4.81 -1.95 -1.60 114.58 126.91 2guz h GLU 66 Ca -0.25 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2guz h GLU 66 Cb 1.10 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2guz h GLU 66 CO 0.72 0.69 0.02 0.66 -0.73 0.00 0.00 179.01 180.38 2guz h SER 67 N 1.03 0.00 -0.30 1.04 4.64 -2.01 -1.34 113.55 116.61 2guz h SER 67 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2guz h SER 67 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2guz h SER 67 CO -0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.19 2guz n LYS 68 N -4.31 1.73 -1.17 4.77 5.02 -0.89 -4.91 118.16 118.41 2guz n LYS 68 Ca -0.02 -1.09 -0.05 0.00 -2.02 0.00 0.00 58.31 55.13 2guz n LYS 68 Cb 0.12 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2guz n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2guz n GLY 69 N 0.95 0.78 0.23 0.72 0.00 -0.51 -4.94 105.19 102.42 2guz n GLY 69 Ca 0.10 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.43 2guz n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2guz h ASP 70 N 0.00 0.00 0.00 1.61 3.45 -1.44 -3.40 116.42 116.64 2guz h ASP 70 Ca -0.11 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.67 2guz h ASP 70 Cb 0.35 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 2guz h ASP 70 CO 0.16 0.00 3.03 -0.11 -1.57 0.00 0.00 179.24 180.75 2guz n LEU 71 N -3.09 6.44 -4.04 1.55 0.00 -1.26 -4.50 117.00 112.10 2guz n LEU 71 Ca 0.03 -3.86 -0.10 0.00 0.00 0.00 0.00 56.01 52.08 2guz n LEU 71 Cb 0.48 -1.51 -0.11 0.00 0.00 0.00 0.00 43.42 42.28 2guz n LEU 71 CO 0.33 0.90 -0.37 0.54 0.00 0.00 0.00 177.39 178.78 2guz s ASN 72 N 3.46 0.55 0.22 1.96 2.20 -1.26 -5.06 114.94 117.01 2guz s ASN 72 Ca 0.51 -0.66 -0.08 0.00 -0.94 0.00 0.00 52.86 51.69 2guz s ASN 72 Cb 0.14 0.10 0.23 0.00 -2.00 0.00 0.00 41.25 39.73 2guz s ASN 72 CO -0.04 -0.35 1.87 -0.03 -2.94 0.00 0.00 177.10 175.61 2guz h MET 73 N 4.14 0.96 -0.59 3.55 1.85 -1.98 -0.32 114.93 122.55 2guz h MET 73 Ca -0.34 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 58.64 2guz h MET 73 Cb 1.19 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.98 2guz h MET 73 CO 0.48 0.64 0.16 0.22 -0.40 0.00 0.00 176.91 178.01 2guz h ASP 74 N 0.99 0.88 -0.26 1.39 1.82 -1.97 -0.89 116.42 118.38 2guz h ASP 74 Ca 0.32 -0.23 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 2guz h ASP 74 Cb 0.00 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.78 2guz h ASP 74 CO -0.11 0.87 -0.22 0.50 -1.61 0.00 0.00 179.24 178.67 2guz h LYS 75 N 0.84 0.61 -0.25 0.28 3.64 -1.59 -0.62 116.57 119.49 2guz h LYS 75 Ca 0.19 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2guz h LYS 75 Cb 0.33 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2guz h LYS 75 CO -0.00 0.90 0.07 0.82 -2.27 0.00 0.00 179.45 178.97 2guz h ILE 76 N 0.34 0.91 -0.55 2.00 2.04 -0.97 0.11 117.51 121.37 2guz h ILE 76 Ca 0.05 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2guz h ILE 76 Cb 0.77 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2guz h ILE 76 CO 0.06 0.03 0.33 -1.13 0.00 0.00 0.00 178.15 177.43 2guz h ASN 77 N 0.17 0.67 -0.33 1.72 -1.24 -0.98 -0.19 115.58 115.40 2guz h ASN 77 Ca 0.11 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 2guz h ASN 77 Cb 0.10 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2guz h ASN 77 CO -0.13 0.54 0.09 0.78 -1.29 0.00 0.00 177.43 177.42 2guz h ASN 78 N 0.74 0.55 -0.26 1.15 -0.26 -0.62 -1.75 115.58 115.15 2guz h ASN 78 Ca 0.20 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 2guz h ASN 78 Cb -0.00 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 2guz h ASN 78 CO -0.04 0.56 0.03 0.03 -1.06 0.00 0.00 177.43 176.96 2guz h ARG 79 N 0.59 0.44 0.05 0.81 2.47 -0.55 -1.94 114.38 116.25 2guz h ARG 79 Ca 0.14 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2guz h ARG 79 Cb 0.23 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 2guz h ARG 79 CO -0.00 0.57 -0.10 0.35 0.56 0.00 0.00 179.97 181.34 2guz h PHE 80 N 0.24 -0.27 -0.09 3.04 3.57 -0.91 -0.26 116.94 122.26 2guz h PHE 80 Ca 0.08 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2guz h PHE 80 Cb 0.35 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2guz h PHE 80 CO 0.02 -0.16 -0.11 -0.91 -2.23 0.00 0.00 178.31 174.92 2guz h ASN 81 N -0.21 -0.34 -0.05 0.41 -0.26 -1.29 -0.10 115.58 113.74 2guz h ASN 81 Ca 0.02 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2guz h ASN 81 Cb 0.23 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2guz h ASN 81 CO -0.07 -0.15 0.01 0.22 -1.06 0.00 0.00 177.43 176.39 2guz h TYR 82 N -0.14 0.07 -0.03 1.19 3.20 -1.21 -2.97 116.97 117.08 2guz h TYR 82 Ca 0.07 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 2guz h TYR 82 Cb 0.25 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2guz h TYR 82 CO -0.21 0.25 -0.76 -0.07 -1.64 0.00 0.00 178.16 175.73 2guz h LEU 83 N -0.12 0.26 0.18 2.82 3.38 -0.90 -1.89 115.31 119.05 2guz h LEU 83 Ca 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2guz h LEU 83 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2guz h LEU 83 CO -0.00 0.92 -0.09 0.15 0.09 0.00 0.00 178.44 179.51 2guz h PHE 84 N 0.14 -0.23 -0.72 1.13 3.57 -1.08 -2.90 116.94 116.84 2guz h PHE 84 Ca -0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2guz h PHE 84 Cb 1.33 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 2guz h PHE 84 CO 0.03 -0.04 0.32 1.49 -2.23 0.00 0.00 178.31 177.88 2guz h GLU 85 N -0.38 1.04 -0.18 1.11 4.81 -1.41 -2.58 114.58 116.99 2guz h GLU 85 Ca -0.03 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2guz h GLU 85 Cb 0.29 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2guz h GLU 85 CO 0.04 0.82 0.08 0.28 -0.73 0.00 0.00 179.01 179.50 2guz h VAL 86 N 1.03 1.08 -0.46 0.32 2.07 -1.37 -2.87 116.25 116.05 2guz h VAL 86 Ca 0.25 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2guz h VAL 86 Cb 0.14 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2guz h VAL 86 CO -0.03 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.24 2guz n ASN 87 N -4.46 3.36 -4.75 0.57 4.13 -0.98 -2.02 115.26 111.11 2guz n ASN 87 Ca -0.00 -2.27 -0.42 0.00 1.68 0.00 0.00 54.58 53.57 2guz n ASN 87 Cb 0.11 -0.46 -0.01 0.00 -1.54 0.00 0.00 39.78 37.89 2guz n ASN 87 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2guz n ASP 88 N 0.75 3.68 0.30 6.41 -0.08 -1.09 -1.62 116.55 124.89 2guz n ASP 88 Ca 0.18 1.19 0.17 0.00 -1.51 0.00 0.00 54.79 54.83 2guz n ASP 88 Cb 0.63 -1.59 0.90 0.00 2.34 0.00 0.00 41.12 43.40 2guz n ASP 88 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2guz h LYS 89 N 3.60 0.00 -0.13 -0.67 2.10 -1.81 0.67 116.57 120.33 2guz h LYS 89 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2guz h LYS 89 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2guz h LYS 89 CO 0.70 0.04 0.00 0.39 -2.00 0.00 0.00 179.45 178.58 2guz n GLU 90 N -3.36 1.66 0.00 0.07 -0.58 -1.26 -4.65 120.64 112.52 2guz n GLU 90 Ca -0.02 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 2guz n GLU 90 Cb 0.18 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2guz n GLU 90 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2guz n LYS 91 N 0.21 0.00 -0.17 3.49 4.76 0.16 -5.03 118.16 121.57 2guz n LYS 91 Ca 0.17 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 2guz n LYS 91 Cb 0.31 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.62 2guz n LYS 91 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2guz n GLY 92 N 3.55 4.18 0.00 0.72 0.00 -0.77 -4.97 105.19 107.91 2guz n GLY 92 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2guz n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guz n GLY 93 N -1.18 4.28 3.35 -0.02 0.00 -0.92 -4.68 105.19 106.02 2guz n GLY 93 Ca 0.14 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2guz n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2guz s SER 94 N 1.69 -0.25 0.30 1.61 1.04 -0.64 -4.16 113.70 113.30 2guz s SER 94 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 2guz s SER 94 Cb 0.00 0.49 0.48 0.00 0.10 0.00 0.00 66.02 67.09 2guz s SER 94 CO 0.00 -0.89 1.84 0.15 0.98 0.00 0.00 173.24 175.32 2guz h PHE 95 N 2.32 0.72 -0.40 5.02 3.57 -1.94 -1.75 116.94 124.49 2guz h PHE 95 Ca -0.33 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.13 2guz h PHE 95 Cb 1.26 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2guz h PHE 95 CO 0.33 0.65 0.18 -0.92 -2.23 0.00 0.00 178.31 176.31 2guz h TYR 96 N 0.67 0.33 -0.35 0.41 3.20 -1.95 -0.66 116.97 118.61 2guz h TYR 96 Ca 0.14 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 2guz h TYR 96 Cb 0.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2guz h TYR 96 CO 0.02 0.16 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.47 2guz h LEU 97 N 0.37 0.64 -0.82 2.82 3.38 -1.83 -2.44 115.31 117.44 2guz h LEU 97 Ca 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2guz h LEU 97 Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2guz h LEU 97 CO -0.14 0.81 0.52 1.56 0.09 0.00 0.00 178.44 181.28 2guz h GLN 98 N 0.58 1.09 -0.40 1.13 4.20 -0.75 -2.15 115.11 118.81 2guz h GLN 98 Ca 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2guz h GLN 98 Cb 0.60 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2guz h GLN 98 CO 0.04 0.75 0.08 0.77 -0.67 0.00 0.00 178.83 179.80 2guz h SER 99 N 1.11 0.63 -0.72 1.46 0.02 -0.93 -1.25 113.55 113.88 2guz h SER 99 Ca 0.30 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2guz h SER 99 Cb -0.09 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 2guz h SER 99 CO -0.06 0.72 0.42 0.11 -1.14 0.00 0.00 176.83 176.87 2guz h LYS 100 N 0.52 0.75 -0.32 3.45 1.79 -1.28 0.17 116.57 121.65 2guz h LYS 100 Ca 0.12 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2guz h LYS 100 Cb 0.35 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2guz h LYS 100 CO 0.01 0.49 0.17 0.28 -1.08 0.00 0.00 179.45 179.32 2guz h VAL 101 N 0.77 1.14 -0.03 0.50 2.07 -1.24 -0.94 116.25 118.52 2guz h VAL 101 Ca 0.32 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2guz h VAL 101 Cb 0.17 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2guz h VAL 101 CO -0.17 0.14 -0.10 0.22 0.02 0.00 0.00 177.57 177.68 2guz h TYR 102 N 0.39 -0.25 -0.13 1.57 3.20 -0.94 -2.20 116.97 118.61 2guz h TYR 102 Ca 0.11 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2guz h TYR 102 Cb 0.08 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2guz h TYR 102 CO -0.03 -0.15 -0.31 0.00 -1.64 0.00 0.00 178.16 176.03 2guz h ARG 103 N -0.16 0.24 -0.14 1.82 2.47 -0.63 -0.13 114.38 117.85 2guz h ARG 103 Ca 0.05 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2guz h ARG 103 Cb 0.22 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2guz h ARG 103 CO -0.12 0.53 0.07 0.00 0.56 0.00 0.00 179.97 181.00 2guz h ALA 104 N 1.47 0.18 -0.64 0.04 0.00 -1.02 -0.87 119.26 118.43 2guz h ALA 104 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2guz h ALA 104 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2guz h ALA 104 CO 0.05 -0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.13 2guz h ALA 105 N 0.93 0.95 -0.58 0.00 0.00 -1.11 -0.73 119.26 118.73 2guz h ALA 105 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2guz h ALA 105 Cb 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2guz h ALA 105 CO -0.01 0.65 0.33 1.49 0.00 0.00 0.00 179.25 181.71 2guz h GLU 106 N 0.99 0.62 -0.52 0.00 4.81 -0.85 0.46 114.58 120.09 2guz h GLU 106 Ca 0.19 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2guz h GLU 106 Cb 0.44 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2guz h GLU 106 CO 0.01 0.41 0.12 -0.09 -0.73 0.00 0.00 179.01 178.73 2guz h ARG 107 N 0.64 0.83 -0.02 1.92 9.65 -0.80 -1.96 114.38 124.64 2guz h ARG 107 Ca 0.24 -0.21 -0.19 0.00 -1.10 0.00 0.00 59.98 58.73 2guz h ARG 107 Cb 0.09 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2guz h ARG 107 CO -0.13 0.80 -0.81 -0.07 2.80 0.00 0.00 179.97 182.55 2guz h LEU 108 N 0.72 0.34 -0.62 3.80 3.38 -0.78 -1.97 115.31 120.17 2guz h LEU 108 Ca 0.16 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2guz h LEU 108 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2guz h LEU 108 CO 0.00 1.02 -0.53 0.11 0.09 0.00 0.00 178.44 179.13 2guz h LYS 109 N 0.17 0.43 -0.54 1.13 1.57 -0.84 -1.86 116.57 116.63 2guz h LYS 109 Ca -0.04 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2guz h LYS 109 Cb 1.41 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 2guz h LYS 109 CO 0.13 0.85 0.30 2.35 -0.57 0.00 0.00 179.45 182.51 2guz h TRP 110 N 0.34 0.74 0.11 -1.35 2.91 -1.24 -2.14 115.95 115.30 2guz h TRP 110 Ca 0.01 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.03 2guz h TRP 110 Cb 1.04 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 2guz h TRP 110 CO 0.03 0.54 -0.18 1.49 -1.03 0.00 0.00 178.44 179.29 2guz h GLU 111 N 0.72 -0.34 -0.78 2.65 4.57 -1.03 -0.99 114.58 119.39 2guz h GLU 111 Ca 0.19 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 2guz h GLU 111 Cb 0.04 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2guz h GLU 111 CO -0.03 -0.22 0.51 -0.07 -1.18 0.00 0.00 179.01 178.02 2guz h LEU 112 N -0.35 0.74 -0.58 1.64 3.38 -1.30 -0.77 115.31 118.07 2guz h LEU 112 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2guz h LEU 112 Cb 0.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2guz h LEU 112 CO -0.10 0.48 0.21 0.00 0.09 0.00 0.00 178.44 179.13 2guz h ALA 113 N 1.58 0.76 -0.42 1.53 0.00 -0.80 -2.64 119.26 119.27 2guz h ALA 113 Ca 0.33 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2guz h ALA 113 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2guz h ALA 113 CO -0.12 0.39 -0.33 1.96 0.00 0.00 0.00 179.25 181.15 2guz h GLN 114 N 0.81 0.96 -0.58 0.00 1.08 -0.27 -2.97 115.11 114.15 2guz h GLN 114 Ca 0.19 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2guz h GLN 114 Cb 0.24 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 2guz h GLN 114 CO -0.01 1.14 0.32 0.00 -0.95 0.00 0.00 178.83 179.33 2guz h ARG 115 N 0.80 0.78 0.00 1.46 3.08 -1.16 -0.20 114.38 119.15 2guz h ARG 115 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2guz h ARG 115 Cb 0.93 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2guz h ARG 115 CO 0.09 0.57 0.00 -1.91 -1.07 0.00 0.00 179.97 177.65 2guz n GLU 116 N -4.40 0.00 0.00 0.04 2.13 -1.00 -5.11 120.64 112.30 2guz n GLU 116 Ca 0.05 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2guz n GLU 116 Cb 0.09 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2guz n GLU 116 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08