#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgr s TYR 63 N 0.00 1.82 -0.17 4.31 1.13 -1.26 -2.93 117.35 120.25 1rgr s TYR 63 Ca 0.00 -0.55 -0.08 0.00 -1.41 0.00 0.00 57.07 55.03 1rgr s TYR 63 Cb 0.00 -1.23 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 1rgr s TYR 63 CO 0.00 -0.19 0.11 -1.21 -2.51 0.00 0.00 175.55 171.74 1rgr s GLU 64 N 0.07 3.87 -0.19 -3.49 2.02 -0.50 -4.88 118.70 115.59 1rgr s GLU 64 Ca -0.05 -0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1rgr s GLU 64 Cb -0.12 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 1rgr s GLU 64 CO 0.03 0.44 0.23 -1.83 0.02 0.00 0.00 175.26 174.15 1rgr s GLU 65 N -0.07 4.19 -0.16 1.61 -1.05 -1.26 -1.66 118.70 120.30 1rgr s GLU 65 Ca 0.09 -0.06 -0.03 0.00 -0.15 0.00 0.00 54.97 54.82 1rgr s GLU 65 Cb -0.12 -3.46 0.05 0.00 -0.44 0.00 0.00 34.13 30.17 1rgr s GLU 65 CO 0.00 0.19 0.05 0.96 0.95 0.00 0.00 175.26 177.41 1rgr s ILE 66 N 0.65 0.28 -0.26 1.83 -4.36 0.02 -4.98 121.20 114.39 1rgr s ILE 66 Ca 0.12 -0.30 -0.18 0.00 -0.26 0.00 0.00 60.65 60.04 1rgr s ILE 66 Cb -0.13 -0.78 -0.03 0.00 1.25 0.00 0.00 42.46 42.78 1rgr s ILE 66 CO 0.03 -0.15 0.53 -0.89 0.24 0.00 0.00 174.94 174.70 1rgr s THR 67 N 1.98 5.06 -0.06 8.37 2.01 -1.26 -0.92 115.64 130.82 1rgr s THR 67 Ca 0.01 0.92 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1rgr s THR 67 Cb -0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1rgr s THR 67 CO -0.08 0.08 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.53 1rgr s LEU 68 N 2.30 2.46 -0.17 4.42 0.20 -0.11 -4.96 118.68 122.82 1rgr s LEU 68 Ca 0.22 -0.33 -0.29 0.00 0.69 0.00 0.00 54.13 54.41 1rgr s LEU 68 Cb -0.16 -1.48 -0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1rgr s LEU 68 CO 0.09 0.29 1.04 -1.61 -0.29 0.00 0.00 176.35 175.88 1rgr s GLU 69 N -0.43 4.33 -0.39 1.98 2.02 -1.26 -0.01 118.70 124.93 1rgr s GLU 69 Ca 0.05 1.40 -0.27 0.00 0.02 0.00 0.00 54.97 56.17 1rgr s GLU 69 Cb -0.12 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.46 1rgr s GLU 69 CO 0.02 -0.50 2.18 0.50 0.02 0.00 0.00 175.26 177.47 1rgr s ARG 70 N 2.71 2.69 0.13 1.61 3.52 -0.13 -4.77 118.95 124.70 1rgr s ARG 70 Ca 0.47 1.50 -0.27 0.00 -0.13 0.00 0.00 55.73 57.30 1rgr s ARG 70 Cb -0.17 -4.43 -0.07 0.00 -1.56 0.00 0.00 34.95 28.72 1rgr s ARG 70 CO 0.12 -2.61 1.46 0.78 -0.81 0.00 0.00 175.30 174.24 1rgr h GLY 71 N 16.82 -1.13 0.00 8.12 0.00 -1.62 -3.46 103.07 121.80 1rgr h GLY 71 Ca -0.31 0.82 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1rgr h GLY 71 CO 1.08 -0.14 0.00 -2.01 0.00 0.00 0.00 176.54 175.47 1rgr n ASN 72 N -4.93 0.00 0.19 0.19 4.05 -1.26 -4.98 115.26 108.52 1rgr n ASN 72 Ca 0.00 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.10 1rgr n ASN 72 Cb 0.24 0.00 0.33 0.00 1.23 0.00 0.00 39.78 41.58 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1rgr h SER 73 N 0.00 0.00 -0.90 1.20 0.02 -2.02 -3.45 113.55 108.40 1rgr h SER 73 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1rgr h SER 73 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 1rgr h SER 73 CO 0.00 0.32 -0.51 -0.83 -1.14 0.00 0.00 176.83 174.67 1rgr s GLY 74 N -4.34 2.73 0.00 -3.77 0.00 -1.26 -5.06 107.32 95.62 1rgr s GLY 74 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1rgr s GLY 74 CO 0.67 -2.11 0.77 1.47 0.00 0.00 0.00 173.10 173.91 1rgr n LEU 75 N -1.23 1.56 -1.83 0.66 -0.00 -1.26 -1.77 117.00 113.13 1rgr n LEU 75 Ca -0.11 -1.53 -0.12 0.00 -0.00 0.00 0.00 56.01 54.25 1rgr n LEU 75 Cb 0.66 -0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.11 1rgr n LEU 75 CO 0.42 0.39 0.03 0.61 -0.00 0.00 0.00 177.39 178.84 1rgr n GLY 76 N -0.24 0.07 3.36 1.47 0.00 -1.26 -2.89 105.19 105.70 1rgr n GLY 76 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1rgr n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rgr s PHE 77 N -2.95 0.14 -0.08 1.61 -0.12 -1.26 -1.34 117.98 113.97 1rgr s PHE 77 Ca 0.20 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1rgr s PHE 77 Cb -0.09 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1rgr s PHE 77 CO 0.25 -0.74 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.42 1rgr s SER 78 N -2.90 2.08 -0.24 1.98 0.01 0.77 -4.74 113.70 110.65 1rgr s SER 78 Ca 0.11 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 1rgr s SER 78 Cb 0.02 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.27 1rgr s SER 78 CO -0.04 0.02 0.14 0.27 0.41 0.00 0.00 173.24 174.04 1rgr s ILE 79 N 0.83 5.16 0.08 1.44 -5.25 -1.26 -1.26 121.20 120.93 1rgr s ILE 79 Ca -0.11 0.11 -0.01 0.00 -0.99 0.00 0.00 60.65 59.65 1rgr s ILE 79 Cb -0.15 -3.41 0.02 0.00 2.95 0.00 0.00 42.46 41.87 1rgr s ILE 79 CO 0.02 0.34 0.10 0.00 -1.79 0.00 0.00 174.94 173.61 1rgr n ALA 80 N 4.42 -0.07 -2.59 2.27 0.00 0.35 -4.83 120.51 120.07 1rgr n ALA 80 Ca -0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1rgr n ALA 80 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1rgr n ALA 80 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rgr s GLY 81 N -2.97 1.42 0.00 0.00 0.00 -1.26 -3.63 107.32 100.89 1rgr s GLY 81 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1rgr s GLY 81 CO 0.04 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1rgr n GLY 82 N -1.75 2.97 0.32 0.20 0.00 -0.16 -4.22 105.19 102.56 1rgr n GLY 82 Ca -0.04 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.99 1rgr n GLY 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rgr h THR 83 N 0.05 0.78 0.00 2.61 1.35 -1.26 -2.47 112.91 113.97 1rgr h THR 83 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1rgr h THR 83 Cb 0.00 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.41 1rgr h THR 83 CO 0.00 0.13 -0.01 -0.78 -0.25 0.00 0.00 175.52 174.61 1rgr h ASP 84 N 0.73 0.00 -2.09 5.36 3.58 -1.95 -3.43 116.42 118.62 1rgr h ASP 84 Ca 0.48 -0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.57 1rgr h ASP 84 Cb 0.63 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.35 1rgr h ASP 84 CO -0.33 0.00 -0.66 0.21 -2.88 0.00 0.00 179.24 175.57 1rgr s ASN 85 N -5.34 1.52 0.00 2.28 2.47 -0.95 -5.09 114.94 109.84 1rgr s ASN 85 Ca 0.09 -1.11 -0.08 0.00 0.42 0.00 0.00 52.86 52.17 1rgr s ASN 85 Cb 0.09 0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 40.34 1rgr s ASN 85 CO 0.63 -0.34 0.29 -2.16 -3.72 0.00 0.00 177.10 171.81 1rgr s PRO 86 N 1.97 3.64 -0.11 0.43 0.04 -1.11 -0.99 135.00 138.87 1rgr s PRO 86 Ca 0.12 0.03 0.13 0.00 0.04 0.00 0.00 61.00 61.32 1rgr s PRO 86 Cb -0.15 -3.10 -0.19 0.00 0.04 0.00 0.00 34.50 31.11 1rgr s PRO 86 CO -0.21 0.66 0.11 1.58 0.04 0.00 0.00 177.00 179.18 1rgr n HIS 87 N 1.30 0.00 -3.59 0.56 -0.00 -1.26 -4.91 115.22 107.31 1rgr n HIS 87 Ca -0.12 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.85 1rgr n HIS 87 Cb 0.53 -0.61 -0.01 0.00 -0.12 0.00 0.00 29.99 29.78 1rgr n HIS 87 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1rgr s ILE 88 N -2.49 4.61 -1.71 3.57 -5.25 -1.26 -5.05 121.20 113.63 1rgr s ILE 88 Ca -0.07 -0.88 0.04 0.00 -0.99 0.00 0.00 60.65 58.75 1rgr s ILE 88 Cb 0.05 -3.63 0.13 0.00 2.95 0.00 0.00 42.46 41.96 1rgr s ILE 88 CO 0.58 -0.28 1.00 0.61 -1.79 0.00 0.00 174.94 175.06 1rgr n GLY 89 N -1.62 0.18 0.03 6.27 0.00 -1.26 -3.57 105.19 105.22 1rgr n GLY 89 Ca -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1rgr n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rgr n ASP 90 N -0.05 0.30 0.00 1.61 2.03 -1.26 -5.05 116.55 114.14 1rgr n ASP 90 Ca 0.05 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1rgr n ASP 90 Cb 0.19 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1rgr n ASP 91 N -1.75 0.00 0.00 1.67 2.03 -1.23 -5.00 116.55 112.28 1rgr n ASP 91 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1rgr n ASP 91 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1rgr n ASP 91 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1rgr n PRO 92 N 0.00 2.88 -1.27 -0.67 -0.04 -1.26 -4.60 135.00 130.04 1rgr n PRO 92 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1rgr n PRO 92 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1rgr n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rgr n SER 93 N 0.00 -2.40 -4.65 3.54 7.64 -0.98 -4.82 113.62 111.95 1rgr n SER 93 Ca 0.00 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1rgr n SER 93 Cb 0.00 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 1rgr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rgr s ILE 94 N -0.05 4.22 -0.04 0.44 -1.09 -1.16 -4.64 121.20 118.87 1rgr s ILE 94 Ca -0.01 1.42 0.04 0.00 -2.23 0.00 0.00 60.65 59.87 1rgr s ILE 94 Cb 0.00 -4.08 -0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1rgr s ILE 94 CO 0.02 -0.30 -0.14 0.72 -1.23 0.00 0.00 174.94 174.01 1rgr s PHE 95 N 3.94 1.42 -0.16 3.97 -0.71 -1.24 -0.83 117.98 124.37 1rgr s PHE 95 Ca 0.55 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.76 1rgr s PHE 95 Cb -0.19 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 40.62 1rgr s PHE 95 CO 0.19 -0.14 1.41 0.42 -1.34 0.00 0.00 175.22 175.76 1rgr s ILE 96 N 0.10 4.02 -0.01 -4.49 1.01 -1.24 -0.50 121.20 120.09 1rgr s ILE 96 Ca -0.04 1.21 0.12 0.00 0.00 0.00 0.00 60.65 61.94 1rgr s ILE 96 Cb -0.10 -3.84 -0.22 0.00 0.01 0.00 0.00 42.46 38.31 1rgr s ILE 96 CO 0.01 -0.17 0.82 0.00 0.00 0.00 0.00 174.94 175.60 1rgr h THR 97 N 5.65 1.02 -4.06 2.92 1.03 -1.46 0.04 112.91 118.05 1rgr h THR 97 Ca -0.31 -2.82 -0.12 0.00 -0.01 0.00 0.00 66.41 63.15 1rgr h THR 97 Cb 1.13 2.49 -0.14 0.00 -1.07 0.00 0.00 68.15 70.56 1rgr h THR 97 CO 0.98 0.58 -0.47 -0.54 -0.01 0.00 0.00 175.52 176.05 1rgr s LYS 98 N -2.65 0.93 -0.13 0.00 1.02 -1.05 -4.81 119.74 113.06 1rgr s LYS 98 Ca -0.03 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 54.77 1rgr s LYS 98 Cb 0.08 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1rgr s LYS 98 CO 0.82 -0.29 -0.15 0.96 -0.92 0.00 0.00 175.35 175.77 1rgr s ILE 99 N -3.95 2.83 -0.05 2.17 -4.36 -1.26 -0.17 121.20 116.41 1rgr s ILE 99 Ca 0.14 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.50 1rgr s ILE 99 Cb 0.06 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1rgr s ILE 99 CO -0.04 0.53 1.36 -0.63 0.24 0.00 0.00 174.94 176.39 1rgr s ILE 100 N 0.43 3.92 0.24 8.37 1.09 -0.45 -4.91 121.20 129.90 1rgr s ILE 100 Ca -0.11 1.24 -0.31 0.00 -1.10 0.00 0.00 60.65 60.37 1rgr s ILE 100 Cb -0.16 -3.80 -0.12 0.00 -1.06 0.00 0.00 42.46 37.32 1rgr s ILE 100 CO 0.05 -0.03 1.68 -2.65 -0.10 0.00 0.00 174.94 173.89 1rgr n PRO 101 N 5.72 2.77 -1.00 2.79 -0.02 -1.26 -1.63 135.00 142.37 1rgr n PRO 101 Ca 0.13 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 1rgr n PRO 101 Cb 0.44 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1rgr n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgr n GLY 102 N 3.24 0.29 3.71 -1.23 0.00 -1.26 -5.04 105.19 104.90 1rgr n GLY 102 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1rgr n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgr n GLY 103 N -1.31 0.41 0.17 -0.02 0.00 -0.64 -5.00 105.19 98.80 1rgr n GLY 103 Ca 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 1rgr n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgr h ALA 104 N -0.74 0.73 -0.27 4.61 0.00 -1.69 -3.05 119.26 118.84 1rgr h ALA 104 Ca -0.33 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1rgr h ALA 104 Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1rgr h ALA 104 CO 0.33 0.75 0.13 0.00 0.00 0.00 0.00 179.25 180.46 1rgr h ALA 105 N 1.08 1.72 -0.69 0.00 0.00 -1.64 -0.86 119.26 118.87 1rgr h ALA 105 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1rgr h ALA 105 Cb 1.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1rgr h ALA 105 CO 0.11 0.24 0.18 0.00 0.00 0.00 0.00 179.25 179.77 1rgr h ALA 106 N 1.77 1.00 0.26 0.00 0.00 -1.77 -0.52 119.26 120.01 1rgr h ALA 106 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rgr h ALA 106 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1rgr h ALA 106 CO -0.01 0.65 -0.13 0.37 0.00 0.00 0.00 179.25 180.13 1rgr h GLN 107 N 1.04 -0.34 -0.83 0.00 -0.00 -1.41 -3.37 115.11 110.20 1rgr h GLN 107 Ca 0.22 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.87 1rgr h GLN 107 Cb 0.35 0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.87 1rgr h GLN 107 CO -0.00 0.00 0.42 0.22 0.00 0.00 0.00 178.83 179.47 1rgr h ASP 108 N -0.93 1.06 0.00 -0.69 3.58 -1.29 -3.48 116.42 114.68 1rgr h ASP 108 Ca -0.04 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1rgr h ASP 108 Cb 0.50 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1rgr h ASP 108 CO 0.06 0.88 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 1rgr n GLY 109 N -1.08 1.17 2.11 -0.78 0.00 -0.99 -5.05 105.19 100.58 1rgr n GLY 109 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1rgr n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgr n ARG 110 N -0.10 3.31 0.30 1.61 5.12 -0.24 -4.78 116.66 121.90 1rgr n ARG 110 Ca 0.00 -3.89 0.17 0.00 -1.93 0.00 0.00 57.85 52.21 1rgr n ARG 110 Cb 0.00 -2.28 0.97 0.00 -1.16 0.00 0.00 32.46 29.99 1rgr n ARG 110 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 1rgr h LEU 111 N 2.12 0.00 -8.27 0.55 -0.00 -1.91 -3.35 115.31 104.45 1rgr h LEU 111 Ca 0.45 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.79 1rgr h LEU 111 Cb 1.31 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.89 1rgr h LEU 111 CO 1.02 0.02 1.22 -0.13 -0.00 0.00 0.00 178.44 180.58 1rgr s ARG 112 N -4.41 3.21 0.02 0.17 0.52 -1.26 -4.82 118.95 112.38 1rgr s ARG 112 Ca -0.05 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1rgr s ARG 112 Cb 0.14 -4.72 -0.04 0.00 0.52 0.00 0.00 34.95 30.85 1rgr s ARG 112 CO 0.51 -2.35 1.11 -0.39 0.02 0.00 0.00 175.30 174.20 1rgr h VAL 113 N 6.53 0.00 0.00 3.52 -1.51 -1.81 -3.38 116.25 119.60 1rgr h VAL 113 Ca -0.06 0.00 -0.40 0.00 -1.23 0.00 0.00 66.70 65.00 1rgr h VAL 113 Cb 1.04 0.00 0.10 0.00 -2.13 0.00 0.00 31.29 30.31 1rgr h VAL 113 CO 1.32 0.00 1.12 0.59 -1.23 0.00 0.00 177.57 179.38 1rgr n ASN 114 N -2.88 0.47 -3.94 4.19 3.02 0.00 -4.01 115.26 112.12 1rgr n ASN 114 Ca -0.03 -1.99 -0.31 0.00 -0.03 0.00 0.00 54.58 52.23 1rgr n ASN 114 Cb 0.10 -0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 38.73 1rgr n ASN 114 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1rgr s ASP 115 N 5.85 4.41 -1.05 6.41 1.01 -1.26 -4.95 116.67 127.10 1rgr s ASP 115 Ca 0.47 -1.81 -0.23 0.00 0.71 0.00 0.00 52.55 51.69 1rgr s ASP 115 Cb 0.10 -1.36 -0.00 0.00 1.01 0.00 0.00 42.92 42.67 1rgr s ASP 115 CO 0.24 -0.35 1.74 -0.44 0.21 0.00 0.00 175.17 176.56 1rgr s SER 116 N 1.17 5.88 -0.00 0.27 0.01 -1.26 -3.72 113.70 116.05 1rgr s SER 116 Ca 0.06 -1.38 -0.30 0.00 1.31 0.00 0.00 55.95 55.64 1rgr s SER 116 Cb -0.19 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 1rgr s SER 116 CO -0.12 -2.11 1.72 0.27 0.41 0.00 0.00 173.24 173.42 1rgr s ILE 117 N 7.49 3.33 -0.26 1.44 -4.36 -0.01 -4.56 121.20 124.27 1rgr s ILE 117 Ca 0.59 0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 61.35 1rgr s ILE 117 Cb -0.02 -3.32 -0.11 0.00 1.25 0.00 0.00 42.46 40.26 1rgr s ILE 117 CO -0.01 -0.03 -0.33 0.00 0.24 0.00 0.00 174.94 174.81 1rgr n LEU 118 N 6.86 1.81 -4.56 0.37 -0.00 -0.69 -3.42 117.00 117.37 1rgr n LEU 118 Ca 0.17 0.31 -0.33 0.00 -0.00 0.00 0.00 56.01 56.17 1rgr n LEU 118 Cb 0.42 -0.76 -0.11 0.00 -0.00 0.00 0.00 43.42 42.97 1rgr n LEU 118 CO 0.64 0.52 -0.40 -0.36 -0.00 0.00 0.00 177.39 177.79 1rgr s PHE 119 N -2.48 2.87 -0.12 1.47 0.40 -1.24 -1.43 117.98 117.45 1rgr s PHE 119 Ca -0.36 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1rgr s PHE 119 Cb 0.14 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1rgr s PHE 119 CO 0.45 0.31 -0.10 0.54 0.70 0.00 0.00 175.22 177.12 1rgr s VAL 120 N -0.83 1.20 0.00 -0.44 0.11 -0.96 -0.60 120.40 118.87 1rgr s VAL 120 Ca 0.13 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1rgr s VAL 120 Cb -0.11 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1rgr s VAL 120 CO 0.02 0.40 0.00 0.59 -3.33 0.00 0.00 175.10 172.78 1rgr n ASN 121 N 4.88 0.00 0.00 3.54 3.02 0.58 -1.91 115.26 125.38 1rgr n ASN 121 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1rgr n ASN 121 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1rgr n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1rgr n GLU 122 N 0.00 0.00 -2.31 3.52 2.13 -1.26 -4.97 120.64 117.75 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1rgr n GLU 122 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rgr s VAL 123 N 0.00 3.44 -0.68 6.31 1.01 -0.80 -4.99 120.40 124.69 1rgr s VAL 123 Ca 0.00 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1rgr s VAL 123 Cb 0.00 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1rgr s VAL 123 CO 0.00 0.18 1.09 -0.62 0.00 0.00 0.00 175.10 175.74 1rgr s ASP 124 N 0.28 6.19 0.00 3.32 -1.08 -1.26 -2.27 116.67 121.85 1rgr s ASP 124 Ca 0.55 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1rgr s ASP 124 Cb -0.34 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 1rgr s ASP 124 CO 0.37 -1.57 0.00 1.33 0.52 0.00 0.00 175.17 175.82 1rgr n VAL 125 N 6.14 0.00 0.00 1.11 0.24 -0.52 -4.93 118.33 120.37 1rgr n VAL 125 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1rgr n VAL 125 Cb 0.47 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1rgr n VAL 125 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1rgr n ARG 126 N 0.00 0.00 -1.94 7.34 1.85 -1.13 -3.27 116.66 119.50 1rgr n ARG 126 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1rgr n ARG 126 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1rgr n GLU 127 N 0.00 3.70 -4.21 2.89 1.02 -1.26 -2.32 120.64 120.46 1rgr n GLU 127 Ca 0.00 -3.08 -0.12 0.00 -0.02 0.00 0.00 57.16 53.94 1rgr n GLU 127 Cb 0.00 -2.91 -0.10 0.00 -0.02 0.00 0.00 31.44 28.40 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rgr s VAL 128 N 0.95 0.16 0.25 2.62 0.11 -1.20 -4.92 120.40 118.37 1rgr s VAL 128 Ca 0.50 -1.98 -0.31 0.00 -2.93 0.00 0.00 61.98 57.26 1rgr s VAL 128 Cb 0.14 -2.38 -0.12 0.00 -1.53 0.00 0.00 36.38 32.50 1rgr s VAL 128 CO -0.05 -0.16 1.65 -0.89 -3.33 0.00 0.00 175.10 172.33 1rgr s THR 129 N -4.03 2.04 0.49 5.04 2.01 -1.26 -0.86 115.64 119.07 1rgr s THR 129 Ca 0.34 0.03 0.32 0.00 0.31 0.00 0.00 61.69 62.69 1rgr s THR 129 Cb 0.07 -3.02 0.52 0.00 0.01 0.00 0.00 72.50 70.08 1rgr s THR 129 CO 0.09 0.00 1.74 1.12 -0.69 0.00 0.00 174.62 176.89 1rgr h HIS 130 N 5.74 0.26 -0.83 4.92 2.07 -1.90 -2.13 115.15 123.29 1rgr h HIS 130 Ca -0.45 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.05 1rgr h HIS 130 Cb 1.21 -0.07 -0.04 0.00 2.57 0.00 0.00 27.41 31.08 1rgr h HIS 130 CO 0.61 -0.02 0.40 0.77 -3.07 0.00 0.00 177.93 176.62 1rgr h SER 131 N 0.12 1.08 -0.43 3.10 0.02 -1.98 0.16 113.55 115.63 1rgr h SER 131 Ca 0.65 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.38 1rgr h SER 131 Cb 2.27 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.52 1rgr h SER 131 CO -0.15 0.92 -0.03 0.00 -1.14 0.00 0.00 176.83 176.43 1rgr h ALA 132 N 1.21 1.02 0.15 3.77 0.00 -1.78 -2.73 119.26 120.90 1rgr h ALA 132 Ca 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rgr h ALA 132 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rgr h ALA 132 CO -0.04 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 1rgr h ALA 133 N 1.18 -0.20 -0.85 0.00 0.00 -1.45 -0.69 119.26 117.25 1rgr h ALA 133 Ca 0.14 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1rgr h ALA 133 Cb 0.51 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1rgr h ALA 133 CO 0.03 -0.44 0.47 -0.24 0.00 0.00 0.00 179.25 179.07 1rgr h VAL 134 N -0.54 0.82 -0.22 0.00 3.04 -1.07 0.90 116.25 119.18 1rgr h VAL 134 Ca -0.02 -0.25 -0.20 0.00 -1.01 0.00 0.00 66.70 65.22 1rgr h VAL 134 Cb 0.42 0.03 0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1rgr h VAL 134 CO 0.03 0.13 -0.66 -0.33 -1.01 0.00 0.00 177.57 175.73 1rgr h GLU 135 N 0.72 0.83 0.00 4.17 4.39 -1.56 -2.51 114.58 120.64 1rgr h GLU 135 Ca 0.44 -0.60 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1rgr h GLU 135 Cb 0.52 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1rgr h GLU 135 CO -0.31 1.22 -0.03 0.00 -1.16 0.00 0.00 179.01 178.74 1rgr h ALA 136 N 0.63 1.87 -0.09 3.43 0.00 -0.82 0.26 119.26 124.55 1rgr h ALA 136 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rgr h ALA 136 Cb 1.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1rgr h ALA 136 CO 0.14 0.03 0.04 -0.07 0.00 0.00 0.00 179.25 179.39 1rgr h LEU 137 N 0.00 0.12 -0.78 0.00 -0.00 -0.77 -1.34 115.31 112.53 1rgr h LEU 137 Ca -0.00 -0.14 -0.11 0.00 -0.00 0.00 0.00 57.88 57.63 1rgr h LEU 137 Cb 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1rgr h LEU 137 CO 0.00 0.22 -0.30 0.11 -0.00 0.00 0.00 178.44 178.48 1rgr h LYS 138 N 0.00 0.58 0.00 1.13 1.57 -1.29 -3.20 116.57 115.36 1rgr h LYS 138 Ca 0.03 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1rgr h LYS 138 Cb 0.14 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1rgr h LYS 138 CO -0.00 0.81 -0.07 1.49 -0.57 0.00 0.00 179.45 181.10 1rgr h GLU 139 N 0.50 0.00 0.00 3.15 4.81 -0.47 -2.62 114.58 119.94 1rgr h GLU 139 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1rgr h GLU 139 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1rgr h GLU 139 CO 0.06 0.07 0.16 0.00 -0.73 0.00 0.00 179.01 178.58 1rgr n ALA 140 N -2.22 0.72 0.00 2.92 0.00 -0.51 -4.97 120.51 116.45 1rgr n ALA 140 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1rgr n ALA 140 Cb 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1rgr n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgr n GLY 141 N -1.34 0.66 0.00 0.00 0.00 -0.99 -3.45 105.19 100.07 1rgr n GLY 141 Ca -0.00 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.97 1rgr n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgr n SER 142 N 2.68 0.00 -3.39 1.61 7.64 -1.26 -4.53 113.62 116.36 1rgr n SER 142 Ca 0.00 -0.48 -0.13 0.00 1.01 0.00 0.00 58.87 59.27 1rgr n SER 142 Cb 0.00 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1rgr n SER 142 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rgr s ILE 143 N -2.30 -0.49 -0.33 0.44 -0.00 -1.22 -0.96 121.20 116.34 1rgr s ILE 143 Ca 0.34 -0.20 -0.22 0.00 -0.00 0.00 0.00 60.65 60.57 1rgr s ILE 143 Cb 0.19 -0.83 0.00 0.00 -0.00 0.00 0.00 42.46 41.81 1rgr s ILE 143 CO 0.37 -0.24 0.72 0.68 -0.00 0.00 0.00 174.94 176.48 1rgr s VAL 144 N 2.45 4.83 -0.79 8.37 -7.23 0.99 -4.80 120.40 124.22 1rgr s VAL 144 Ca 0.10 0.94 -0.10 0.00 -1.81 0.00 0.00 61.98 61.11 1rgr s VAL 144 Cb -0.15 -4.11 0.21 0.00 0.56 0.00 0.00 36.38 32.89 1rgr s VAL 144 CO -0.20 -0.27 0.69 -0.13 -0.31 0.00 0.00 175.10 174.88 1rgr s ARG 145 N 2.86 3.32 0.06 4.82 0.52 -1.26 -0.93 118.95 128.34 1rgr s ARG 145 Ca 0.29 -2.55 -0.21 0.00 -0.52 0.00 0.00 55.73 52.74 1rgr s ARG 145 Cb -0.14 -4.22 -0.06 0.00 0.52 0.00 0.00 34.95 31.05 1rgr s ARG 145 CO 0.14 -1.25 0.61 -0.51 0.02 0.00 0.00 175.30 174.30 1rgr s LEU 146 N -0.03 4.50 -0.12 2.53 1.43 -0.10 -0.30 118.68 126.59 1rgr s LEU 146 Ca 0.19 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 1rgr s LEU 146 Cb -0.13 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.13 1rgr s LEU 146 CO -0.07 0.21 -0.22 -0.31 0.23 0.00 0.00 176.35 176.19 1rgr s TYR 147 N -0.81 2.49 -0.17 0.29 2.02 0.23 -0.80 117.35 120.60 1rgr s TYR 147 Ca 0.31 -1.13 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 1rgr s TYR 147 Cb -0.20 -1.69 0.05 0.00 -0.40 0.00 0.00 41.96 39.72 1rgr s TYR 147 CO 0.20 -0.50 0.01 0.54 -1.57 0.00 0.00 175.55 174.23 1rgr s VAL 148 N 0.61 0.63 -0.11 0.71 0.11 -0.67 -1.70 120.40 119.98 1rgr s VAL 148 Ca -0.13 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.22 1rgr s VAL 148 Cb -0.17 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1rgr s VAL 148 CO 0.03 -0.08 0.62 -0.32 -3.33 0.00 0.00 175.10 172.02 1rgr s MET 149 N 1.82 4.37 -0.36 1.54 1.75 -1.26 -1.42 119.30 125.74 1rgr s MET 149 Ca 0.00 0.70 -0.11 0.00 -1.25 0.00 0.00 55.69 55.03 1rgr s MET 149 Cb -0.16 -3.47 0.02 0.00 2.84 0.00 0.00 34.83 34.06 1rgr s MET 149 CO -0.07 0.04 0.21 1.03 -0.65 0.00 0.00 175.02 175.57 1rgr s ARG 150 N 0.95 2.98 -0.10 4.11 0.52 -1.15 -4.91 118.95 121.35 1rgr s ARG 150 Ca 0.32 -0.98 0.17 0.00 -0.52 0.00 0.00 55.73 54.73 1rgr s ARG 150 Cb -0.17 -3.73 -0.24 0.00 0.52 0.00 0.00 34.95 31.34 1rgr s ARG 150 CO 0.14 -0.64 0.38 0.54 0.02 0.00 0.00 175.30 175.75 1rgr n ARG 151 N 5.02 0.66 -3.53 3.54 1.74 -1.26 -4.77 116.66 118.06 1rgr n ARG 151 Ca -0.12 0.07 -0.28 0.00 -0.77 0.00 0.00 57.85 56.74 1rgr n ARG 151 Cb 0.47 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 1rgr n ARG 151 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rgr s LYS 152 N -2.74 0.95 0.17 5.56 2.20 -1.26 -5.03 119.74 119.59 1rgr s LYS 152 Ca -0.07 -1.85 -0.17 0.00 -0.36 0.00 0.00 55.97 53.52 1rgr s LYS 152 Cb 0.08 -1.71 0.10 0.00 -1.51 0.00 0.00 37.83 34.79 1rgr s LYS 152 CO 0.84 -1.26 1.67 -1.35 -0.36 0.00 0.00 175.35 174.89 1rgr h PRO 153 N 6.43 0.01 0.00 4.03 0.11 -2.01 -3.54 132.00 137.03 1rgr h PRO 153 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1rgr h PRO 153 Cb 0.93 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1rgr h PRO 153 CO 0.37 0.01 0.00 -0.35 -0.21 0.00 0.00 178.00 177.82