#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 3.62 -0.20 4.31 1.13 -1.26 -1.07 117.35 123.88 1rgr s TYR 63 Ca 0.00 1.03 -0.09 0.00 -1.41 0.00 0.00 57.07 56.60 1rgr s TYR 63 Cb 0.00 -2.53 -0.05 0.00 -1.10 0.00 0.00 41.96 38.29 1rgr s TYR 63 CO 0.00 0.32 0.11 -1.21 -2.51 0.00 0.00 175.55 172.26 1rgr s GLU 64 N 0.00 4.08 -0.12 -3.49 0.41 0.59 -4.95 118.70 115.23 1rgr s GLU 64 Ca 0.27 -0.28 0.01 0.00 -0.41 0.00 0.00 54.97 54.57 1rgr s GLU 64 Cb -0.17 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.82 1rgr s GLU 64 CO 0.13 0.25 -0.17 -1.83 -0.49 0.00 0.00 175.26 173.16 1rgr s GLU 65 N 0.47 3.25 -0.12 1.61 -1.05 -1.26 -1.58 118.70 120.02 1rgr s GLU 65 Ca 0.06 -0.76 -0.02 0.00 -0.15 0.00 0.00 54.97 54.10 1rgr s GLU 65 Cb -0.12 -2.53 0.04 0.00 -0.44 0.00 0.00 34.13 31.09 1rgr s GLU 65 CO -0.00 0.17 0.03 0.96 0.95 0.00 0.00 175.26 177.37 1rgr s ILE 66 N 0.42 0.36 -0.28 1.83 -4.36 -0.53 -4.97 121.20 113.67 1rgr s ILE 66 Ca -0.13 -0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 59.89 1rgr s ILE 66 Cb -0.16 -0.70 -0.00 0.00 1.25 0.00 0.00 42.46 42.84 1rgr s ILE 66 CO 0.06 0.03 0.79 -0.89 0.24 0.00 0.00 174.94 175.16 1rgr s THR 67 N 1.96 4.82 -0.01 8.37 2.01 -1.26 -0.85 115.64 130.68 1rgr s THR 67 Ca 0.03 1.28 0.06 0.00 0.31 0.00 0.00 61.69 63.37 1rgr s THR 67 Cb -0.14 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1rgr s THR 67 CO -0.07 -0.18 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.26 1rgr s LEU 68 N 2.89 2.05 0.01 4.42 0.20 0.25 -4.98 118.68 123.53 1rgr s LEU 68 Ca 0.32 -0.39 -0.28 0.00 0.69 0.00 0.00 54.13 54.48 1rgr s LEU 68 Cb -0.15 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 1rgr s LEU 68 CO 0.11 0.25 0.88 -1.61 -0.29 0.00 0.00 176.35 175.68 1rgr s GLU 69 N -0.55 4.55 -0.82 1.98 2.02 -1.26 -0.30 118.70 124.31 1rgr s GLU 69 Ca 0.08 1.24 -0.25 0.00 0.02 0.00 0.00 54.97 56.06 1rgr s GLU 69 Cb -0.08 -3.42 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1rgr s GLU 69 CO -0.01 0.08 2.04 0.50 0.02 0.00 0.00 175.26 177.90 1rgr s ARG 70 N 0.59 2.37 0.00 1.61 3.52 -0.31 -4.61 118.95 122.13 1rgr s ARG 70 Ca 0.45 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1rgr s ARG 70 Cb -0.21 -4.88 0.00 0.00 -1.56 0.00 0.00 34.95 28.30 1rgr s ARG 70 CO 0.25 -3.47 0.00 0.41 -0.81 0.00 0.00 175.30 171.69 1rgr n GLY 71 N 6.62 0.00 0.43 8.12 0.00 -1.08 -4.66 105.19 114.63 1rgr n GLY 71 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1rgr n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rgr n ASN 72 N 0.00 0.00 0.11 1.61 5.15 -1.26 -4.94 115.26 115.93 1rgr n ASN 72 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1rgr n ASN 72 Cb 0.00 0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.34 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1rgr h SER 73 N 0.00 0.00 0.00 1.20 0.02 -2.01 -3.48 113.55 109.29 1rgr h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rgr h SER 73 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rgr h SER 73 CO 0.00 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1rgr n GLY 74 N 1.27 5.50 0.00 -3.77 0.00 -1.26 -5.13 105.19 101.79 1rgr n GLY 74 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1rgr n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rgr n LEU 75 N 0.00 0.00 0.00 0.99 4.32 -1.26 -2.62 117.00 118.43 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1rgr n LEU 75 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1rgr n GLY 76 N 3.17 0.60 3.51 -0.72 0.00 -1.26 -1.72 105.19 108.77 1rgr n GLY 76 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.63 -0.33 1.61 -0.12 -1.26 -1.81 117.98 115.44 1rgr s PHE 77 Ca 0.00 1.11 -0.13 0.00 -0.05 0.00 0.00 56.93 57.86 1rgr s PHE 77 Cb 0.00 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 1rgr s PHE 77 CO 0.00 -0.59 0.23 -1.12 -0.05 0.00 0.00 175.22 173.70 1rgr s SER 78 N -1.13 6.06 -0.20 1.98 0.01 0.25 -4.80 113.70 115.86 1rgr s SER 78 Ca -0.11 -0.33 -0.21 0.00 1.31 0.00 0.00 55.95 56.61 1rgr s SER 78 Cb -0.01 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1rgr s SER 78 CO 0.09 -0.20 0.66 0.27 0.41 0.00 0.00 173.24 174.48 1rgr s ILE 79 N 1.74 4.99 0.20 1.44 -4.36 -1.26 -2.95 121.20 121.00 1rgr s ILE 79 Ca 0.06 1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 61.68 1rgr s ILE 79 Cb -0.17 -3.97 0.04 0.00 1.25 0.00 0.00 42.46 39.61 1rgr s ILE 79 CO 0.11 0.08 0.27 0.00 0.24 0.00 0.00 174.94 175.64 1rgr n ALA 80 N 5.20 -0.25 -2.64 2.27 0.00 0.61 -4.93 120.51 120.77 1rgr n ALA 80 Ca -0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 1rgr n ALA 80 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.48 1.37 0.00 0.00 0.00 -1.26 -3.49 107.32 100.46 1rgr s GLY 81 Ca 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1rgr s GLY 81 CO 0.11 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1rgr n GLY 82 N -1.77 3.29 0.35 0.20 0.00 0.24 -4.19 105.19 103.30 1rgr n GLY 82 Ca -0.04 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 0.07 0.75 0.01 2.61 1.35 -1.58 -2.43 112.91 113.70 1rgr h THR 83 Ca 0.00 -0.27 -0.20 0.00 -0.55 0.00 0.00 66.41 65.39 1rgr h THR 83 Cb 0.00 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.30 1rgr h THR 83 CO 0.00 0.14 -0.96 -0.78 -0.25 0.00 0.00 175.52 173.67 1rgr h ASP 84 N 0.78 0.05 -3.07 5.36 3.58 -1.95 -3.43 116.42 117.75 1rgr h ASP 84 Ca 0.54 -0.05 -0.59 0.00 0.42 0.00 0.00 57.03 57.35 1rgr h ASP 84 Cb 0.77 -0.02 -0.40 0.00 1.72 0.00 0.00 39.33 41.41 1rgr h ASP 84 CO -0.36 0.98 -0.79 0.21 -2.88 0.00 0.00 179.24 176.41 1rgr s ASN 85 N -6.77 3.40 0.02 2.28 2.47 -0.94 -5.11 114.94 110.29 1rgr s ASN 85 Ca 0.00 -2.29 -0.02 0.00 0.42 0.00 0.00 52.86 50.98 1rgr s ASN 85 Cb 0.10 -0.73 -0.04 0.00 -1.45 0.00 0.00 41.25 39.13 1rgr s ASN 85 CO 0.82 -0.31 0.19 -2.16 -3.72 0.00 0.00 177.10 171.93 1rgr s PRO 86 N 0.85 3.44 -0.10 0.43 0.04 -1.03 -0.60 135.00 138.02 1rgr s PRO 86 Ca 0.17 -0.37 0.08 0.00 0.04 0.00 0.00 61.00 60.91 1rgr s PRO 86 Cb -0.23 -3.07 -0.12 0.00 0.04 0.00 0.00 34.50 31.12 1rgr s PRO 86 CO -0.03 0.65 0.01 1.58 0.04 0.00 0.00 177.00 179.24 1rgr n HIS 87 N 0.66 0.00 -3.50 0.56 -0.00 -1.26 -4.95 115.22 106.74 1rgr n HIS 87 Ca -0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.81 1rgr n HIS 87 Cb 0.52 -0.50 -0.03 0.00 -0.12 0.00 0.00 29.99 29.86 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 -2.25 5.09 -1.73 3.57 -5.25 -1.26 -5.03 121.20 114.35 1rgr s ILE 88 Ca -0.07 -0.07 0.00 0.00 -0.99 0.00 0.00 60.65 59.52 1rgr s ILE 88 Cb 0.03 -3.72 0.00 0.00 2.95 0.00 0.00 42.46 41.73 1rgr s ILE 88 CO 0.40 -0.22 0.86 0.61 -1.79 0.00 0.00 174.94 174.79 1rgr n GLY 89 N -0.70 -0.32 0.00 6.27 0.00 -1.26 -3.48 105.19 105.70 1rgr n GLY 89 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.36 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 113.54 1rgr n ASP 90 Ca 0.00 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1rgr n ASP 90 Cb 0.07 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.45 0.00 0.00 1.67 2.03 -1.23 -4.99 116.55 112.59 1rgr n ASP 91 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1rgr n ASP 91 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 1.81 -0.56 -0.67 -0.04 -1.26 -4.66 135.00 129.62 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 -2.10 -4.67 3.54 7.64 -0.59 -4.81 113.62 112.63 1rgr n SER 93 Ca 0.00 0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 1rgr n SER 93 Cb 0.00 -1.06 -0.08 0.00 -1.01 0.00 0.00 64.21 62.06 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 -0.01 5.25 -0.03 0.44 -1.09 -1.25 -4.47 121.20 120.04 1rgr s ILE 94 Ca 0.00 0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1rgr s ILE 94 Cb 0.00 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1rgr s ILE 94 CO 0.00 0.29 0.06 0.72 -1.23 0.00 0.00 174.94 174.78 1rgr s PHE 95 N 1.16 -0.00 -0.35 3.97 -0.71 -1.23 -3.09 117.98 117.73 1rgr s PHE 95 Ca 0.16 0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 56.03 1rgr s PHE 95 Cb -0.14 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.43 1rgr s PHE 95 CO 0.07 -0.12 0.77 0.42 -1.34 0.00 0.00 175.22 175.01 1rgr s ILE 96 N 1.26 4.76 -0.64 -4.49 1.01 -1.25 -0.28 121.20 121.57 1rgr s ILE 96 Ca -0.07 0.91 0.22 0.00 0.00 0.00 0.00 60.65 61.70 1rgr s ILE 96 Cb -0.13 -4.18 -0.21 0.00 0.01 0.00 0.00 42.46 37.95 1rgr s ILE 96 CO -0.04 -0.39 0.86 1.07 0.00 0.00 0.00 174.94 176.44 1rgr n THR 97 N 5.72 0.05 -4.03 2.92 5.66 -1.17 -1.10 114.28 122.33 1rgr n THR 97 Ca 0.03 -0.20 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 1rgr n THR 97 Cb 0.48 0.48 -0.10 0.00 -1.55 0.00 0.00 70.33 69.65 1rgr n THR 97 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1rgr s LYS 98 N -3.19 0.59 -0.07 1.09 2.20 -1.15 -4.91 119.74 114.30 1rgr s LYS 98 Ca 0.03 -1.06 0.03 0.00 -0.36 0.00 0.00 55.97 54.61 1rgr s LYS 98 Cb 0.15 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1rgr s LYS 98 CO 0.85 -0.12 -0.17 0.96 -0.36 0.00 0.00 175.35 176.51 1rgr s ILE 99 N -3.45 1.50 0.05 5.43 -4.36 -1.26 -0.58 121.20 118.53 1rgr s ILE 99 Ca 0.02 -0.72 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 1rgr s ILE 99 Cb 0.04 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 1rgr s ILE 99 CO -0.08 0.43 1.02 -0.63 0.24 0.00 0.00 174.94 175.92 1rgr s ILE 100 N 0.35 4.56 0.22 8.37 1.09 -0.75 -4.83 121.20 130.21 1rgr s ILE 100 Ca -0.12 1.93 -0.32 0.00 -1.10 0.00 0.00 60.65 61.04 1rgr s ILE 100 Cb -0.15 -4.24 -0.12 0.00 -1.06 0.00 0.00 42.46 36.90 1rgr s ILE 100 CO 0.05 0.20 1.71 -2.84 -0.10 0.00 0.00 174.94 173.96 1rgr s PRO 101 N 0.66 4.12 -0.35 2.79 0.02 -1.26 -1.72 135.00 139.26 1rgr s PRO 101 Ca 0.52 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1rgr s PRO 101 Cb -0.24 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1rgr s PRO 101 CO 0.29 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1rgr n GLY 102 N 3.78 0.56 0.00 0.52 0.00 -1.26 -5.03 105.19 103.76 1rgr n GLY 102 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.32 0.54 0.16 -0.02 0.00 -0.70 -4.76 105.19 99.10 1rgr n GLY 103 Ca -0.03 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.34 -0.31 0.00 4.61 0.00 -1.21 -1.00 119.26 120.01 1rgr h ALA 104 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1rgr h ALA 104 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rgr h ALA 104 CO 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 179.25 178.58 1rgr h ALA 105 N -0.11 1.11 -0.16 0.00 0.00 -1.86 -2.30 119.26 115.95 1rgr h ALA 105 Ca -0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1rgr h ALA 105 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rgr h ALA 105 CO 0.05 0.25 -0.53 0.00 0.00 0.00 0.00 179.25 179.03 1rgr h ALA 106 N 1.80 0.79 0.14 0.00 0.00 -1.77 -2.13 119.26 118.08 1rgr h ALA 106 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rgr h ALA 106 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rgr h ALA 106 CO 0.03 0.68 -0.07 0.37 0.00 0.00 0.00 179.25 180.26 1rgr h GLN 107 N 0.35 -0.18 0.01 0.00 4.15 -1.16 -3.37 115.11 114.90 1rgr h GLN 107 Ca 0.01 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1rgr h GLN 107 Cb 1.05 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1rgr h GLN 107 CO 0.09 0.23 -0.13 0.22 -1.93 0.00 0.00 178.83 177.31 1rgr h ASP 108 N -0.93 0.10 0.00 -0.69 3.58 -1.57 -3.45 116.42 113.46 1rgr h ASP 108 Ca -0.02 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.59 1rgr h ASP 108 Cb 0.49 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1rgr h ASP 108 CO 0.03 0.94 0.00 0.61 -2.88 0.00 0.00 179.24 177.94 1rgr n GLY 109 N 1.22 1.71 0.00 -0.78 0.00 -0.85 -5.08 105.19 101.40 1rgr n GLY 109 Ca -0.10 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 0.00 1.61 1.74 -0.89 -4.51 116.66 114.61 1rgr n ARG 110 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rgr n ARG 110 Cb 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rgr n LEU 111 N 0.00 0.00 -4.55 0.55 -0.00 -1.26 -4.85 117.00 106.88 1rgr n LEU 111 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1rgr n LEU 111 Cb 0.07 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 1rgr n LEU 111 CO 0.00 -0.30 1.32 -0.13 -0.00 0.00 0.00 177.39 178.28 1rgr s ARG 112 N -1.67 3.28 0.07 1.47 0.52 -1.26 -4.85 118.95 116.51 1rgr s ARG 112 Ca 0.00 -0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 1rgr s ARG 112 Cb 0.00 -4.68 -0.03 0.00 0.52 0.00 0.00 34.95 30.76 1rgr s ARG 112 CO 0.00 -2.26 0.84 1.33 0.02 0.00 0.00 175.30 175.23 1rgr n VAL 113 N 6.69 -0.30 0.00 3.52 0.24 -1.26 -4.87 118.33 122.35 1rgr n VAL 113 Ca 0.17 1.31 0.00 0.00 -2.04 0.00 0.00 64.34 63.78 1rgr n VAL 113 Cb 0.50 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1rgr n VAL 113 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rgr n ASN 114 N -4.17 0.00 0.00 -1.34 3.02 -1.18 -4.80 115.26 106.79 1rgr n ASN 114 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1rgr n ASN 114 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1rgr n ASN 114 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1rgr n ASP 115 N 0.00 0.00 -3.15 6.41 9.92 -0.26 -4.35 116.55 125.12 1rgr n ASP 115 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1rgr n ASP 115 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1rgr n ASP 115 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1rgr s SER 116 N -4.00 -1.55 0.08 -2.24 0.01 -1.26 -3.74 113.70 101.00 1rgr s SER 116 Ca 0.00 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 1rgr s SER 116 Cb 0.00 2.05 -0.04 0.00 0.21 0.00 0.00 66.02 68.24 1rgr s SER 116 CO 0.00 -0.28 0.25 0.27 0.41 0.00 0.00 173.24 173.89 1rgr s ILE 117 N 2.84 5.34 0.00 1.44 -0.00 -1.18 -4.54 121.20 125.10 1rgr s ILE 117 Ca 0.13 -0.31 0.00 0.00 -0.00 0.00 0.00 60.65 60.47 1rgr s ILE 117 Cb -0.11 -3.63 0.00 0.00 -0.00 0.00 0.00 42.46 38.71 1rgr s ILE 117 CO -0.25 0.10 0.00 0.00 -0.00 0.00 0.00 174.94 174.80 1rgr n LEU 118 N 0.20 2.14 -4.26 0.37 -0.00 -0.52 -4.04 117.00 110.88 1rgr n LEU 118 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.74 1rgr n LEU 118 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 1rgr n LEU 118 CO 0.51 0.36 -0.50 -0.36 -0.00 0.00 0.00 177.39 177.40 1rgr s PHE 119 N -1.97 1.63 -0.11 1.47 0.08 -1.20 -4.36 117.98 113.53 1rgr s PHE 119 Ca 0.00 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1rgr s PHE 119 Cb 0.00 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1rgr s PHE 119 CO 0.00 0.18 -0.08 0.54 -0.10 0.00 0.00 175.22 175.76 1rgr s VAL 120 N -1.31 1.02 0.00 -0.44 0.11 -1.02 -1.41 120.40 117.35 1rgr s VAL 120 Ca 0.05 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1rgr s VAL 120 Cb -0.09 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1rgr s VAL 120 CO 0.04 0.36 0.00 0.59 -3.33 0.00 0.00 175.10 172.76 1rgr n ASN 121 N 4.81 0.00 0.00 3.54 3.02 0.67 -1.34 115.26 125.97 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 -0.62 -2.62 0.00 0.00 177.26 174.02 1rgr n GLU 122 N 0.00 3.06 -2.06 3.52 1.02 -1.26 -4.98 120.64 119.93 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1rgr n GLU 122 Cb 0.00 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rgr s VAL 123 N 0.00 2.81 -1.14 2.62 1.01 -0.45 -4.95 120.40 120.30 1rgr s VAL 123 Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1rgr s VAL 123 Cb 0.00 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1rgr s VAL 123 CO 0.00 0.10 2.53 -0.90 0.00 0.00 0.00 175.10 176.83 1rgr n ASP 124 N 2.51 7.72 -3.06 3.32 5.75 -1.26 -2.43 116.55 129.11 1rgr n ASP 124 Ca 0.07 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 1rgr n ASP 124 Cb 0.41 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1rgr n ASP 124 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1rgr n VAL 125 N 1.68 0.00 0.00 2.12 0.24 -1.26 -4.59 118.33 116.52 1rgr n VAL 125 Ca 0.60 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.90 1rgr n VAL 125 Cb 0.32 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1rgr n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rgr n ARG 126 N -0.57 0.00 -0.86 7.34 5.12 -1.26 -4.67 116.66 121.76 1rgr n ARG 126 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1rgr n ARG 126 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1rgr n GLU 127 N 0.00 1.88 -4.05 5.56 1.02 -1.26 -1.54 120.64 122.25 1rgr n GLU 127 Ca 0.00 -1.01 -0.10 0.00 -0.02 0.00 0.00 57.16 56.03 1rgr n GLU 127 Cb 0.00 -2.04 -0.07 0.00 -0.02 0.00 0.00 31.44 29.31 1rgr n GLU 127 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1rgr s VAL 128 N 1.63 0.00 0.40 2.62 -7.23 -1.26 -5.03 120.40 111.53 1rgr s VAL 128 Ca 0.55 -1.57 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 1rgr s VAL 128 Cb 0.24 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 1rgr s VAL 128 CO -0.01 0.00 1.43 0.42 -0.31 0.00 0.00 175.10 176.63 1rgr s THR 129 N -4.04 2.18 0.47 5.32 -4.23 -1.26 -1.63 115.64 112.46 1rgr s THR 129 Ca 0.27 0.18 0.33 0.00 -1.18 0.00 0.00 61.69 61.28 1rgr s THR 129 Cb 0.01 -3.11 0.53 0.00 1.34 0.00 0.00 72.50 71.27 1rgr s THR 129 CO 0.10 0.04 1.68 1.12 -0.54 0.00 0.00 174.62 177.02 1rgr h HIS 130 N 2.80 0.35 -0.77 3.99 2.07 -1.90 -1.92 115.15 119.77 1rgr h HIS 130 Ca -0.51 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 56.99 1rgr h HIS 130 Cb 1.25 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 31.10 1rgr h HIS 130 CO 0.52 -0.07 0.34 0.77 -3.07 0.00 0.00 177.93 176.42 1rgr h SER 131 N 0.11 1.04 -0.31 3.10 0.02 -1.98 0.78 113.55 116.30 1rgr h SER 131 Ca 0.74 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.42 1rgr h SER 131 Cb 2.51 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.77 1rgr h SER 131 CO -0.24 0.90 -0.24 0.00 -1.14 0.00 0.00 176.83 176.11 1rgr h ALA 132 N 1.18 0.83 -0.14 3.77 0.00 -1.73 -1.66 119.26 121.50 1rgr h ALA 132 Ca 0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1rgr h ALA 132 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rgr h ALA 132 CO -0.03 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 1rgr h ALA 133 N 1.03 0.20 -0.58 0.00 0.00 -1.48 -0.42 119.26 118.00 1rgr h ALA 133 Ca 0.09 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1rgr h ALA 133 Cb 0.77 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1rgr h ALA 133 CO 0.06 -0.04 0.17 -0.24 0.00 0.00 0.00 179.25 179.21 1rgr h VAL 134 N -0.04 0.73 -0.55 0.00 3.04 -0.93 0.27 116.25 118.78 1rgr h VAL 134 Ca 0.03 -0.11 0.09 0.00 -1.01 0.00 0.00 66.70 65.70 1rgr h VAL 134 Cb 0.49 0.37 -0.07 0.00 -2.01 0.00 0.00 31.29 30.07 1rgr h VAL 134 CO 0.02 0.06 0.13 -0.08 -1.01 0.00 0.00 177.57 176.69 1rgr h GLU 135 N 0.33 0.27 0.00 4.17 4.57 -1.31 -1.59 114.58 121.02 1rgr h GLU 135 Ca 0.29 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 1rgr h GLU 135 Cb 0.38 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1rgr h GLU 135 CO -0.33 0.18 -0.23 0.00 -1.18 0.00 0.00 179.01 177.45 1rgr h ALA 136 N 1.42 1.31 -0.03 2.92 0.00 -0.44 0.56 119.26 125.00 1rgr h ALA 136 Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rgr h ALA 136 Cb 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rgr h ALA 136 CO -0.34 0.28 -0.02 -0.07 0.00 0.00 0.00 179.25 179.10 1rgr h LEU 137 N 0.00 0.07 -1.05 0.00 -0.00 -0.06 -0.59 115.31 113.67 1rgr h LEU 137 Ca -0.00 -0.44 -0.08 0.00 -0.00 0.00 0.00 57.88 57.36 1rgr h LEU 137 Cb 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1rgr h LEU 137 CO 0.03 0.49 -0.18 0.07 -0.00 0.00 0.00 178.44 178.85 1rgr h LYS 138 N -0.36 0.46 0.00 1.13 2.10 -1.35 -3.28 116.57 115.28 1rgr h LYS 138 Ca 0.01 -0.15 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1rgr h LYS 138 Cb 0.47 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1rgr h LYS 138 CO 0.01 0.63 -0.10 1.49 -2.00 0.00 0.00 179.45 179.47 1rgr h GLU 139 N 0.42 0.00 -0.07 0.07 4.57 -0.90 -1.99 114.58 116.68 1rgr h GLU 139 Ca 0.07 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1rgr h GLU 139 Cb 0.56 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1rgr h GLU 139 CO 0.04 0.10 0.44 0.00 -1.18 0.00 0.00 179.01 178.40 1rgr h ALA 140 N 1.90 1.53 0.00 2.92 0.00 -1.16 -3.49 119.26 120.97 1rgr h ALA 140 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rgr h ALA 140 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rgr h ALA 140 CO 0.01 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.20 1rgr n GLY 141 N -1.29 -0.20 0.00 0.00 0.00 -0.75 -3.51 105.19 99.44 1rgr n GLY 141 Ca -0.00 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 1.74 0.00 -3.42 1.61 7.64 -1.26 -4.43 113.62 115.51 1rgr n SER 142 Ca 0.00 0.29 -0.18 0.00 1.01 0.00 0.00 58.87 59.99 1rgr n SER 142 Cb 0.00 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.65 -0.38 -0.31 0.44 -0.00 -1.23 -1.16 121.20 115.91 1rgr s ILE 143 Ca 0.02 -0.44 -0.25 0.00 -0.00 0.00 0.00 60.65 59.98 1rgr s ILE 143 Cb 0.02 -0.94 0.01 0.00 -0.00 0.00 0.00 42.46 41.54 1rgr s ILE 143 CO 0.04 -0.44 0.89 0.68 -0.00 0.00 0.00 174.94 176.12 1rgr s VAL 144 N 2.35 4.69 -0.49 8.37 -7.23 0.59 -4.79 120.40 123.88 1rgr s VAL 144 Ca 0.09 1.39 -0.19 0.00 -1.81 0.00 0.00 61.98 61.46 1rgr s VAL 144 Cb -0.14 -4.25 0.05 0.00 0.56 0.00 0.00 36.38 32.60 1rgr s VAL 144 CO -0.30 -0.33 0.61 -0.13 -0.31 0.00 0.00 175.10 174.64 1rgr s ARG 145 N 3.20 3.13 -0.21 4.82 0.52 -1.26 -0.59 118.95 128.56 1rgr s ARG 145 Ca 0.37 -0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 54.67 1rgr s ARG 145 Cb -0.13 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 1rgr s ARG 145 CO 0.13 -1.18 0.03 -0.51 0.02 0.00 0.00 175.30 173.80 1rgr s LEU 146 N 2.58 3.40 -0.11 2.53 1.43 -0.03 -0.23 118.68 128.25 1rgr s LEU 146 Ca 0.15 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1rgr s LEU 146 Cb -0.19 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1rgr s LEU 146 CO 0.12 0.05 -0.18 -0.31 0.23 0.00 0.00 176.35 176.26 1rgr s TYR 147 N 1.09 2.69 -0.03 0.29 1.51 -0.50 -1.45 117.35 120.96 1rgr s TYR 147 Ca 0.03 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1rgr s TYR 147 Cb -0.14 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1rgr s TYR 147 CO 0.02 -0.30 0.01 0.54 -1.11 0.00 0.00 175.55 174.71 1rgr s VAL 148 N 0.33 0.14 -0.38 0.71 0.11 -0.61 -1.44 120.40 119.25 1rgr s VAL 148 Ca -0.14 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 58.86 1rgr s VAL 148 Cb -0.17 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1rgr s VAL 148 CO 0.07 0.15 0.52 -0.04 -3.33 0.00 0.00 175.10 172.48 1rgr s MET 149 N 1.25 3.47 -0.21 1.54 -1.94 -1.26 -0.30 119.30 121.85 1rgr s MET 149 Ca -0.07 -0.30 -0.13 0.00 -1.71 0.00 0.00 55.69 53.48 1rgr s MET 149 Cb -0.13 -3.86 -0.05 0.00 2.01 0.00 0.00 34.83 32.80 1rgr s MET 149 CO -0.02 -0.74 0.27 1.03 -0.01 0.00 0.00 175.02 175.55 1rgr s ARG 150 N 2.42 4.15 -0.21 2.03 0.52 -0.23 -4.89 118.95 122.74 1rgr s ARG 150 Ca 0.18 -0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 1rgr s ARG 150 Cb -0.15 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 1rgr s ARG 150 CO 0.14 0.06 1.25 0.50 0.02 0.00 0.00 175.30 177.28 1rgr s ARG 151 N 1.03 4.15 0.33 3.54 3.00 -1.26 -2.57 118.95 127.16 1rgr s ARG 151 Ca 0.13 1.52 0.00 0.00 -1.00 0.00 0.00 55.73 56.38 1rgr s ARG 151 Cb -0.14 -3.78 0.00 0.00 0.00 0.00 0.00 34.95 31.03 1rgr s ARG 151 CO 0.05 -0.82 0.00 1.17 0.00 0.00 0.00 175.30 175.71 1rgr n LYS 152 N 6.78 0.00 -2.46 5.12 4.81 -1.26 -5.04 118.16 126.11 1rgr n LYS 152 Ca 0.14 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.19 1rgr n LYS 152 Cb 0.45 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.46 1rgr n LYS 152 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1rgr s PRO 153 N -2.00 4.49 0.00 1.64 0.02 -1.26 -5.08 135.00 132.80 1rgr s PRO 153 Ca 0.00 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.83 1rgr s PRO 153 Cb 0.00 -3.01 0.26 0.00 0.02 0.00 0.00 34.50 31.77 1rgr s PRO 153 CO 0.00 0.08 0.74 -0.35 -0.33 0.00 0.00 177.00 177.14