#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 3.49 -0.08 -0.32 1.13 -1.26 -1.09 117.35 119.22 1rgr s TYR 63 Ca 0.00 0.97 0.03 0.00 -1.41 0.00 0.00 57.07 56.67 1rgr s TYR 63 Cb 0.00 -2.67 0.00 0.00 -1.10 0.00 0.00 41.96 38.19 1rgr s TYR 63 CO 0.00 0.06 -0.18 -1.21 -2.51 0.00 0.00 175.55 171.70 1rgr s GLU 64 N 1.01 2.30 -0.16 -3.49 0.41 0.05 -4.93 118.70 113.90 1rgr s GLU 64 Ca 0.29 -0.66 -0.26 0.00 -0.41 0.00 0.00 54.97 53.93 1rgr s GLU 64 Cb -0.16 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 1rgr s GLU 64 CO 0.12 0.14 0.87 -1.83 -0.49 0.00 0.00 175.26 174.07 1rgr s GLU 65 N 0.40 4.32 -0.07 1.61 -1.05 -1.26 -1.90 118.70 120.75 1rgr s GLU 65 Ca -0.14 1.10 -0.03 0.00 -0.15 0.00 0.00 54.97 55.75 1rgr s GLU 65 Cb -0.16 -3.57 0.04 0.00 -0.44 0.00 0.00 34.13 30.00 1rgr s GLU 65 CO 0.06 -0.33 0.08 0.96 0.95 0.00 0.00 175.26 176.97 1rgr s ILE 66 N 2.13 -0.12 -0.16 1.83 -4.36 -0.15 -5.03 121.20 115.34 1rgr s ILE 66 Ca 0.40 0.31 -0.13 0.00 -0.26 0.00 0.00 60.65 60.98 1rgr s ILE 66 Cb -0.17 -0.24 -0.05 0.00 1.25 0.00 0.00 42.46 43.25 1rgr s ILE 66 CO 0.13 0.09 0.25 -0.89 0.24 0.00 0.00 174.94 174.77 1rgr s THR 67 N 2.18 5.33 -0.07 8.37 2.01 -1.26 -0.75 115.64 131.44 1rgr s THR 67 Ca 0.04 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1rgr s THR 67 Cb -0.13 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1rgr s THR 67 CO -0.04 0.42 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.38 1rgr s LEU 68 N 0.28 1.85 -0.16 4.42 1.02 -0.09 -4.98 118.68 121.01 1rgr s LEU 68 Ca 0.15 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 1rgr s LEU 68 Cb -0.13 -1.04 -0.00 0.00 0.02 0.00 0.00 46.19 45.04 1rgr s LEU 68 CO 0.03 0.11 -0.14 -1.61 0.02 0.00 0.00 176.35 174.76 1rgr s GLU 69 N 0.39 3.23 0.00 1.70 2.02 -1.26 -0.43 118.70 124.34 1rgr s GLU 69 Ca -0.13 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1rgr s GLU 69 Cb -0.15 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1rgr s GLU 69 CO 0.05 -0.02 0.00 -2.13 0.02 0.00 0.00 175.26 173.18 1rgr n ARG 70 N 4.18 0.00 -0.11 1.61 3.00 0.36 -4.35 116.66 121.36 1rgr n ARG 70 Ca -0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.67 1rgr n ARG 70 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.97 1rgr n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rgr n GLY 71 N 0.00 -1.98 6.05 5.14 0.00 -0.90 -4.56 105.19 108.94 1rgr n GLY 71 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.47 0.00 0.20 1.61 2.85 -1.26 -3.30 115.26 114.89 1rgr n ASN 72 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1rgr n ASN 72 Cb 0.05 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.34 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1rgr h SER 73 N 0.00 0.00 0.00 1.20 0.02 -2.00 -3.49 113.55 109.28 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 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1rgr n GLY 74 N 1.04 -0.77 0.00 -3.77 0.00 -1.21 -5.05 105.19 95.43 1rgr n GLY 74 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1rgr n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rgr n LEU 75 N 0.00 0.08 0.00 0.99 0.00 -1.26 -2.11 117.00 114.70 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1rgr n LEU 75 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 177.39 178.01 1rgr n GLY 76 N 1.28 1.24 3.25 -3.96 0.00 -1.26 -0.41 105.19 105.33 1rgr n GLY 76 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.33 -0.15 1.61 -0.12 -1.26 -1.31 117.98 114.41 1rgr s PHE 77 Ca 0.00 0.73 -0.02 0.00 -0.05 0.00 0.00 56.93 57.59 1rgr s PHE 77 Cb 0.00 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1rgr s PHE 77 CO 0.00 -0.27 -0.08 -1.12 -0.05 0.00 0.00 175.22 173.70 1rgr s SER 78 N -0.36 4.34 -0.18 1.98 0.01 0.58 -4.75 113.70 115.33 1rgr s SER 78 Ca -0.05 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1rgr s SER 78 Cb -0.03 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 1rgr s SER 78 CO 0.02 0.14 -0.02 0.27 0.41 0.00 0.00 173.24 174.05 1rgr s ILE 79 N 0.53 3.85 0.18 1.44 -5.25 -1.26 -1.59 121.20 119.10 1rgr s ILE 79 Ca -0.06 -0.36 -0.02 0.00 -0.99 0.00 0.00 60.65 59.22 1rgr s ILE 79 Cb -0.15 -2.72 0.04 0.00 2.95 0.00 0.00 42.46 42.58 1rgr s ILE 79 CO 0.03 0.46 0.24 0.00 -1.79 0.00 0.00 174.94 173.88 1rgr n ALA 80 N 3.96 -0.21 -2.56 2.27 0.00 0.08 -4.84 120.51 119.21 1rgr n ALA 80 Ca -0.17 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 1rgr n ALA 80 Cb 0.52 0.00 -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 -3.39 1.50 0.00 0.00 0.00 -1.26 -3.79 107.32 100.39 1rgr s GLY 81 Ca 0.14 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1rgr s GLY 81 CO 0.10 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1rgr n GLY 82 N -1.65 4.47 0.35 0.20 0.00 -1.20 -4.17 105.19 103.19 1rgr n GLY 82 Ca -0.02 -2.09 0.12 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 0.23 0.73 0.00 2.61 1.35 -1.41 -0.54 112.91 115.87 1rgr h THR 83 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1rgr h THR 83 Cb 0.00 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.32 1rgr h THR 83 CO 0.00 0.14 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.61 1rgr h ASP 84 N 0.76 0.00 -1.51 5.36 3.58 -1.95 -3.40 116.42 119.26 1rgr h ASP 84 Ca 0.56 -0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.57 1rgr h ASP 84 Cb 0.82 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.47 1rgr h ASP 84 CO -0.37 0.00 -1.15 -3.20 -2.88 0.00 0.00 179.24 171.64 1rgr n ASN 85 N -2.70 1.46 -4.65 2.28 5.15 -0.33 -5.08 115.26 111.40 1rgr n ASN 85 Ca 0.05 -2.93 -0.36 0.00 -0.60 0.00 0.00 54.58 50.73 1rgr n ASN 85 Cb 0.48 -0.57 -0.10 0.00 -0.53 0.00 0.00 39.78 39.07 1rgr n ASN 85 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rgr s PRO 86 N -2.86 4.04 -0.15 1.20 0.04 -0.49 -3.20 135.00 133.58 1rgr s PRO 86 Ca 0.35 -0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.17 1rgr s PRO 86 Cb 0.40 -3.52 -0.14 0.00 0.04 0.00 0.00 34.50 31.28 1rgr s PRO 86 CO -0.03 0.05 -0.05 1.58 0.04 0.00 0.00 177.00 178.58 1rgr n HIS 87 N 4.32 0.00 -4.03 0.56 -0.00 -1.26 -4.87 115.22 109.94 1rgr n HIS 87 Ca -0.15 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.68 1rgr n HIS 87 Cb 0.52 -0.66 -0.08 0.00 -0.12 0.00 0.00 29.99 29.65 1rgr n HIS 87 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rgr s ILE 88 N -2.33 4.95 0.00 3.57 1.09 -1.26 -4.79 121.20 122.43 1rgr s ILE 88 Ca -0.15 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 1rgr s ILE 88 Cb 0.05 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.27 1rgr s ILE 88 CO 0.47 0.54 0.00 0.61 -0.10 0.00 0.00 174.94 176.46 1rgr n GLY 89 N 2.75 2.49 0.61 6.18 0.00 -1.26 -1.84 105.19 114.11 1rgr n GLY 89 Ca -0.18 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1rgr n GLY 89 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rgr n ASP 90 N 9.63 1.78 0.00 1.61 5.75 -1.26 -5.03 116.55 129.04 1rgr n ASP 90 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1rgr n ASP 90 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1rgr n ASP 90 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1rgr n ASP 91 N 0.44 0.00 -4.42 -1.12 8.00 -0.77 -5.02 116.55 113.67 1rgr n ASP 91 Ca 0.13 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.19 1rgr n ASP 91 Cb 0.30 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1rgr s PRO 92 N 0.00 3.80 -0.28 -0.24 0.04 -1.26 -4.17 135.00 132.89 1rgr s PRO 92 Ca 0.00 -2.25 -0.18 0.00 0.04 0.00 0.00 61.00 58.61 1rgr s PRO 92 Cb 0.00 -4.84 0.09 0.00 0.04 0.00 0.00 34.50 29.79 1rgr s PRO 92 CO 0.00 -1.64 0.73 -1.12 0.04 0.00 0.00 177.00 175.02 1rgr s SER 93 N 2.93 -0.85 -0.13 6.66 0.01 -1.25 -4.47 113.70 116.59 1rgr s SER 93 Ca 0.33 1.42 -0.27 0.00 1.31 0.00 0.00 55.95 58.73 1rgr s SER 93 Cb -0.06 1.37 -0.01 0.00 0.21 0.00 0.00 66.02 67.53 1rgr s SER 93 CO -0.07 -0.23 0.91 -0.63 0.41 0.00 0.00 173.24 173.64 1rgr s ILE 94 N 1.33 4.84 0.20 1.44 -1.09 -1.16 -4.39 121.20 122.37 1rgr s ILE 94 Ca -0.08 1.83 0.11 0.00 -2.23 0.00 0.00 60.65 60.28 1rgr s ILE 94 Cb -0.05 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1rgr s ILE 94 CO -0.15 0.03 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.00 1rgr s PHE 95 N 2.01 2.21 -0.31 3.97 0.40 -1.25 -1.69 117.98 123.33 1rgr s PHE 95 Ca 0.43 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 56.21 1rgr s PHE 95 Cb -0.17 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1rgr s PHE 95 CO 0.15 0.50 0.53 0.42 0.70 0.00 0.00 175.22 177.53 1rgr s ILE 96 N -1.87 5.02 0.01 0.64 1.01 -1.25 -0.74 121.20 124.03 1rgr s ILE 96 Ca 0.21 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.57 1rgr s ILE 96 Cb -0.07 -3.91 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 1rgr s ILE 96 CO 0.10 -0.08 0.86 0.00 0.00 0.00 0.00 174.94 175.82 1rgr h THR 97 N 5.52 1.14 -4.15 2.92 1.03 -1.58 -0.34 112.91 117.45 1rgr h THR 97 Ca -0.28 -2.90 -0.14 0.00 -0.01 0.00 0.00 66.41 63.08 1rgr h THR 97 Cb 1.13 2.62 -0.14 0.00 -1.07 0.00 0.00 68.15 70.69 1rgr h THR 97 CO 0.75 0.72 -0.50 -1.59 -0.01 0.00 0.00 175.52 174.89 1rgr s LYS 98 N -2.63 0.98 -0.16 0.00 -2.85 -1.09 -4.84 119.74 109.15 1rgr s LYS 98 Ca -0.05 -1.28 -0.06 0.00 -1.00 0.00 0.00 55.97 53.58 1rgr s LYS 98 Cb 0.08 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1rgr s LYS 98 CO 0.83 -0.31 0.05 0.96 0.10 0.00 0.00 175.35 176.97 1rgr s ILE 99 N -3.99 4.67 -0.31 3.79 -4.36 -1.26 -0.31 121.20 119.43 1rgr s ILE 99 Ca 0.18 -0.09 -0.22 0.00 -0.26 0.00 0.00 60.65 60.26 1rgr s ILE 99 Cb 0.06 -3.07 -0.00 0.00 1.25 0.00 0.00 42.46 40.70 1rgr s ILE 99 CO -0.01 0.50 0.74 -0.63 0.24 0.00 0.00 174.94 175.78 1rgr s ILE 100 N 0.04 4.84 0.54 8.37 1.01 -0.43 -4.85 121.20 130.71 1rgr s ILE 100 Ca 0.05 1.08 -0.21 0.00 0.00 0.00 0.00 60.65 61.57 1rgr s ILE 100 Cb -0.12 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1rgr s ILE 100 CO 0.01 -0.22 1.19 -2.65 0.00 0.00 0.00 174.94 173.27 1rgr n PRO 101 N 6.11 1.42 -0.11 2.79 -0.02 -1.26 -2.71 135.00 141.21 1rgr n PRO 101 Ca 0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1rgr n PRO 101 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.98 2.74 0.00 -1.23 0.00 -1.26 -4.98 105.19 101.44 1rgr n GLY 102 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.41 0.12 -0.02 0.00 -1.10 -4.95 105.19 98.64 1rgr n GLY 103 Ca 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.07 0.24 -0.67 4.61 0.00 -0.93 -2.64 119.26 119.80 1rgr h ALA 104 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1rgr h ALA 104 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1rgr h ALA 104 CO 0.00 -0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.41 1rgr h ALA 105 N 0.87 1.24 -0.38 0.00 0.00 -1.72 0.15 119.26 119.41 1rgr h ALA 105 Ca 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1rgr h ALA 105 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rgr h ALA 105 CO -0.00 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.92 1rgr h ALA 106 N 1.35 0.50 0.47 0.00 0.00 -1.75 0.27 119.26 120.10 1rgr h ALA 106 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rgr h ALA 106 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rgr h ALA 106 CO -0.02 0.16 -0.23 0.37 0.00 0.00 0.00 179.25 179.53 1rgr h GLN 107 N 0.47 -0.61 -0.21 0.00 -0.00 -1.29 -3.37 115.11 110.10 1rgr h GLN 107 Ca 0.12 0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.79 1rgr h GLN 107 Cb 0.28 0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 1rgr h GLN 107 CO -0.00 -0.40 0.02 0.22 0.00 0.00 0.00 178.83 178.67 1rgr h ASP 108 N -0.86 0.34 0.00 -0.69 1.82 -0.87 -3.48 116.42 112.68 1rgr h ASP 108 Ca -0.06 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1rgr h ASP 108 Cb 0.48 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1rgr h ASP 108 CO 0.11 0.53 0.00 0.61 -1.61 0.00 0.00 179.24 178.88 1rgr n GLY 109 N -0.40 0.38 2.10 -0.78 0.00 -0.86 -5.06 105.19 100.57 1rgr n GLY 109 Ca -0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 3.45 0.21 1.61 5.12 0.89 -4.81 116.66 123.14 1rgr n ARG 110 Ca 0.00 -4.04 0.13 0.00 -1.93 0.00 0.00 57.85 52.01 1rgr n ARG 110 Cb 0.00 -2.28 0.73 0.00 -1.16 0.00 0.00 32.46 29.75 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 2.18 0.00 -8.10 0.55 8.10 -1.90 -3.30 115.31 112.84 1rgr h LEU 111 Ca 0.41 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.79 1rgr h LEU 111 Cb 1.37 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 41.49 1rgr h LEU 111 CO 0.91 0.00 1.45 -0.60 -4.11 0.00 0.00 178.44 176.09 1rgr s ARG 112 N -4.91 3.59 0.08 0.17 3.52 -1.26 -4.86 118.95 115.29 1rgr s ARG 112 Ca -0.05 -1.18 -0.36 0.00 -0.13 0.00 0.00 55.73 54.01 1rgr s ARG 112 Cb 0.17 -5.33 -0.17 0.00 -1.56 0.00 0.00 34.95 28.06 1rgr s ARG 112 CO 0.64 -2.17 1.56 -0.39 -0.81 0.00 0.00 175.30 174.12 1rgr h VAL 113 N 6.71 0.00 0.00 7.11 -1.51 -1.82 -3.32 116.25 123.43 1rgr h VAL 113 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 1rgr h VAL 113 Cb 1.01 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1rgr h VAL 113 CO 1.40 0.00 0.13 0.59 -1.23 0.00 0.00 177.57 178.47 1rgr n ASN 114 N -5.56 0.00 -4.58 4.19 3.02 -0.14 -4.15 115.26 108.05 1rgr n ASN 114 Ca -0.12 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 1rgr n ASN 114 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.69 6.21 -0.93 6.41 1.01 -1.25 -4.86 116.67 124.96 1rgr s ASP 115 Ca 0.00 0.30 -0.24 0.00 0.71 0.00 0.00 52.55 53.32 1rgr s ASP 115 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1rgr s ASP 115 CO 0.00 -1.64 1.76 -0.44 0.21 0.00 0.00 175.17 175.06 1rgr s SER 116 N 4.09 5.63 -0.10 0.27 0.01 -1.16 -3.75 113.70 118.69 1rgr s SER 116 Ca 0.51 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 1rgr s SER 116 Cb -0.10 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1rgr s SER 116 CO 0.26 -2.29 1.70 -0.51 0.41 0.00 0.00 173.24 172.81 1rgr s ILE 117 N 8.20 3.54 -0.26 1.44 1.10 -0.68 -1.45 121.20 133.08 1rgr s ILE 117 Ca 0.61 0.64 -0.15 0.00 -0.51 0.00 0.00 60.65 61.24 1rgr s ILE 117 Cb -0.05 -3.46 -0.12 0.00 0.15 0.00 0.00 42.46 38.99 1rgr s ILE 117 CO -0.03 -0.11 -0.33 0.00 -2.11 0.00 0.00 174.94 172.36 1rgr n LEU 118 N 7.74 1.95 -4.02 8.50 -0.00 -0.37 -3.65 117.00 127.16 1rgr n LEU 118 Ca 0.19 0.35 -0.18 0.00 -0.00 0.00 0.00 56.01 56.36 1rgr n LEU 118 Cb 0.43 -0.82 -0.14 0.00 -0.00 0.00 0.00 43.42 42.89 1rgr n LEU 118 CO 0.64 0.45 -0.43 -0.36 -0.00 0.00 0.00 177.39 177.69 1rgr s PHE 119 N -2.55 0.74 -0.22 1.47 0.40 -1.06 -2.76 117.98 114.00 1rgr s PHE 119 Ca -0.37 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1rgr s PHE 119 Cb 0.13 -0.47 0.06 0.00 0.51 0.00 0.00 43.02 43.25 1rgr s PHE 119 CO 0.49 -0.01 -0.02 0.08 0.70 0.00 0.00 175.22 176.45 1rgr s VAL 120 N -0.29 1.17 0.00 -0.44 1.01 -1.07 -1.02 120.40 119.76 1rgr s VAL 120 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1rgr s VAL 120 Cb -0.04 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1rgr s VAL 120 CO -0.00 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.55 1rgr n ASN 121 N 4.81 0.00 0.00 3.32 3.02 0.75 -1.80 115.26 125.36 1rgr n ASN 121 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1rgr n ASN 121 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.16 3.52 4.07 -1.26 -4.97 120.64 119.83 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1rgr n GLU 122 Cb 0.00 -0.01 -0.03 0.00 -0.06 0.00 0.00 31.44 31.34 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1rgr s VAL 123 N 0.00 2.94 -0.72 6.31 1.01 -0.75 -4.98 120.40 124.21 1rgr s VAL 123 Ca 0.00 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 1rgr s VAL 123 Cb 0.00 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1rgr s VAL 123 CO 0.00 0.16 1.05 1.51 0.00 0.00 0.00 175.10 177.82 1rgr s ASP 124 N -0.06 6.25 0.00 3.32 -4.77 -1.26 -2.61 116.67 117.54 1rgr s ASP 124 Ca 0.53 -1.09 0.00 0.00 -3.30 0.00 0.00 52.55 48.69 1rgr s ASP 124 Cb -0.38 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 1rgr s ASP 124 CO 0.45 -1.44 0.00 1.33 0.70 0.00 0.00 175.17 176.20 1rgr n VAL 125 N 5.97 0.00 0.00 2.11 0.24 -1.11 -4.95 118.33 120.59 1rgr n VAL 125 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1rgr n VAL 125 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.08 7.34 -4.01 -1.16 -3.64 116.66 113.11 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1rgr n ARG 126 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1rgr n GLU 127 N 0.00 3.47 -4.10 2.89 1.02 -1.26 -2.99 120.64 119.67 1rgr n GLU 127 Ca 0.00 -3.19 -0.10 0.00 -0.02 0.00 0.00 57.16 53.85 1rgr n GLU 127 Cb 0.00 -3.01 -0.09 0.00 -0.02 0.00 0.00 31.44 28.33 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 1.18 0.05 0.15 2.62 0.11 -1.24 -4.97 120.40 118.30 1rgr s VAL 128 Ca 0.44 -1.76 -0.33 0.00 -2.93 0.00 0.00 61.98 57.40 1rgr s VAL 128 Cb 0.12 -2.14 -0.13 0.00 -1.53 0.00 0.00 36.38 32.70 1rgr s VAL 128 CO -0.03 -0.25 1.64 0.41 -3.33 0.00 0.00 175.10 173.54 1rgr n THR 129 N -0.20 0.06 -0.33 5.04 -1.04 -1.26 -1.15 114.28 115.40 1rgr n THR 129 Ca -0.03 -0.01 0.32 0.00 -2.04 0.00 0.00 64.05 62.29 1rgr n THR 129 Cb 0.64 -1.67 0.69 0.00 -1.82 0.00 0.00 70.33 68.16 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1rgr h HIS 130 N 6.43 0.20 -0.86 -1.42 2.07 -1.91 -1.73 115.15 117.92 1rgr h HIS 130 Ca -0.45 0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.10 1rgr h HIS 130 Cb 1.24 -0.06 -0.05 0.00 2.57 0.00 0.00 27.41 31.12 1rgr h HIS 130 CO 0.65 0.01 0.56 0.77 -3.07 0.00 0.00 177.93 176.85 1rgr h SER 131 N 0.11 0.96 -0.03 3.10 0.02 -1.97 0.16 113.55 115.89 1rgr h SER 131 Ca 0.59 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.37 1rgr h SER 131 Cb 2.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.41 1rgr h SER 131 CO -0.10 0.67 -0.49 0.00 -1.14 0.00 0.00 176.83 175.78 1rgr h ALA 132 N 1.34 0.74 0.57 3.77 0.00 -1.71 -0.95 119.26 123.02 1rgr h ALA 132 Ca 0.33 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1rgr h ALA 132 Cb -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rgr h ALA 132 CO -0.09 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.55 1rgr h ALA 133 N 1.00 -0.77 -1.00 0.00 0.00 -1.38 -1.44 119.26 115.67 1rgr h ALA 133 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1rgr h ALA 133 Cb 1.02 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1rgr h ALA 133 CO 0.09 -0.89 0.64 -0.24 0.00 0.00 0.00 179.25 178.85 1rgr h VAL 134 N -0.85 0.97 0.04 0.00 3.04 -0.81 -0.72 116.25 117.92 1rgr h VAL 134 Ca -0.08 -0.36 0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1rgr h VAL 134 Cb 0.62 -0.16 -0.04 0.00 -2.01 0.00 0.00 31.29 29.69 1rgr h VAL 134 CO 0.13 0.19 -0.29 -0.08 -1.01 0.00 0.00 177.57 176.51 1rgr h GLU 135 N 1.04 -0.45 -0.52 4.17 4.57 -1.15 -0.53 114.58 121.72 1rgr h GLU 135 Ca 0.48 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.70 1rgr h GLU 135 Cb 0.40 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1rgr h GLU 135 CO -0.24 -0.30 0.34 0.00 -1.18 0.00 0.00 179.01 177.64 1rgr h ALA 136 N 0.28 1.66 -0.15 2.92 0.00 -0.80 0.42 119.26 123.59 1rgr h ALA 136 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rgr h ALA 136 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rgr h ALA 136 CO -0.22 0.31 -0.00 -0.07 0.00 0.00 0.00 179.25 179.27 1rgr h LEU 137 N 0.68 -0.06 -0.42 0.00 4.07 -0.99 -1.28 115.31 117.32 1rgr h LEU 137 Ca 0.19 0.03 -0.18 0.00 0.08 0.00 0.00 57.88 58.01 1rgr h LEU 137 Cb -0.04 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1rgr h LEU 137 CO -0.04 -0.01 -0.72 0.11 -1.08 0.00 0.00 178.44 176.70 1rgr h LYS 138 N 0.05 0.40 0.00 1.13 1.57 -0.78 -3.28 116.57 115.67 1rgr h LYS 138 Ca 0.07 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1rgr h LYS 138 Cb 0.08 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1rgr h LYS 138 CO -0.12 0.96 -0.36 1.49 -0.57 0.00 0.00 179.45 180.85 1rgr h GLU 139 N 0.28 0.00 -0.95 3.15 4.22 -0.21 -2.29 114.58 118.77 1rgr h GLU 139 Ca -0.03 0.00 0.20 0.00 0.08 0.00 0.00 59.36 59.61 1rgr h GLU 139 Cb 1.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 1rgr h GLU 139 CO 0.12 0.36 0.61 0.00 -2.18 0.00 0.00 179.01 177.92 1rgr h ALA 140 N 1.64 2.03 0.00 2.92 0.00 -1.28 -3.48 119.26 121.09 1rgr h ALA 140 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rgr h ALA 140 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rgr h ALA 140 CO 0.05 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1rgr n GLY 141 N -1.45 0.70 0.00 0.00 0.00 -0.86 -3.35 105.19 100.23 1rgr n GLY 141 Ca 0.21 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 2.80 0.00 -3.42 1.61 7.64 -1.26 -4.01 113.62 116.98 1rgr n SER 142 Ca 0.00 -0.54 -0.14 0.00 1.01 0.00 0.00 58.87 59.20 1rgr n SER 142 Cb 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.22 -0.46 -0.23 0.44 -0.00 -1.21 -0.48 121.20 117.03 1rgr s ILE 143 Ca 0.34 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.65 60.82 1rgr s ILE 143 Cb 0.18 -0.79 0.02 0.00 -0.00 0.00 0.00 42.46 41.87 1rgr s ILE 143 CO 0.34 -0.22 -0.09 -0.69 -0.00 0.00 0.00 174.94 174.28 1rgr s VAL 144 N 2.42 2.73 -0.84 8.37 1.01 0.42 -4.74 120.40 129.78 1rgr s VAL 144 Ca 0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1rgr s VAL 144 Cb -0.15 -2.34 0.15 0.00 0.00 0.00 0.00 36.38 34.04 1rgr s VAL 144 CO -0.17 0.27 0.95 -0.13 0.00 0.00 0.00 175.10 176.02 1rgr s ARG 145 N 1.32 3.51 0.06 2.72 3.00 -1.26 -0.91 118.95 127.39 1rgr s ARG 145 Ca 0.01 -1.90 -0.16 0.00 0.00 0.00 0.00 55.73 53.68 1rgr s ARG 145 Cb -0.16 -4.65 -0.06 0.00 0.00 0.00 0.00 34.95 30.08 1rgr s ARG 145 CO -0.06 -1.59 0.49 -0.51 0.00 0.00 0.00 175.30 173.63 1rgr s LEU 146 N 1.90 4.46 -0.16 2.53 1.43 0.07 -0.18 118.68 128.73 1rgr s LEU 146 Ca 0.25 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.40 1rgr s LEU 146 Cb -0.09 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.32 1rgr s LEU 146 CO -0.07 0.25 -0.00 -0.31 0.23 0.00 0.00 176.35 176.46 1rgr s TYR 147 N -1.19 1.19 -0.02 0.29 2.02 -0.19 -0.98 117.35 118.48 1rgr s TYR 147 Ca 0.29 -0.80 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1rgr s TYR 147 Cb -0.17 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1rgr s TYR 147 CO 0.17 -0.55 -0.16 0.14 -1.57 0.00 0.00 175.55 173.57 1rgr s VAL 148 N 1.80 1.26 -0.18 0.71 -7.23 -0.80 -1.23 120.40 114.73 1rgr s VAL 148 Ca 0.01 -0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 1rgr s VAL 148 Cb -0.15 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1rgr s VAL 148 CO -0.07 0.36 0.34 0.00 -0.31 0.00 0.00 175.10 175.41 1rgr s MET 149 N -0.33 4.21 -0.23 4.82 0.23 -0.53 -0.77 119.30 126.70 1rgr s MET 149 Ca 0.05 0.13 -0.10 0.00 -1.03 0.00 0.00 55.69 54.75 1rgr s MET 149 Cb -0.07 -3.48 -0.05 0.00 -1.53 0.00 0.00 34.83 29.70 1rgr s MET 149 CO -0.00 0.10 0.13 1.03 -2.03 0.00 0.00 175.02 174.25 1rgr s ARG 150 N 0.89 4.01 -1.45 3.16 1.81 -0.25 -3.01 118.95 124.11 1rgr s ARG 150 Ca 0.17 -0.31 -0.13 0.00 -1.72 0.00 0.00 55.73 53.75 1rgr s ARG 150 Cb -0.14 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.89 1rgr s ARG 150 CO 0.06 0.08 2.42 0.54 -0.68 0.00 0.00 175.30 177.72 1rgr n ARG 151 N 4.21 3.00 -2.86 3.54 1.74 -1.26 -0.67 116.66 124.36 1rgr n ARG 151 Ca -0.15 -2.41 -0.43 0.00 -0.77 0.00 0.00 57.85 54.09 1rgr n ARG 151 Cb 0.52 -3.10 -0.04 0.00 -1.02 0.00 0.00 32.46 28.81 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 3.01 3.67 0.52 5.56 2.36 -1.26 -5.03 119.74 128.57 1rgr s LYS 152 Ca 0.54 0.30 -0.19 0.00 -2.55 0.00 0.00 55.97 54.08 1rgr s LYS 152 Cb 0.15 -3.86 -0.07 0.00 -1.05 0.00 0.00 37.83 33.00 1rgr s LYS 152 CO -0.07 -1.04 1.04 -1.25 1.55 0.00 0.00 175.35 175.59 1rgr s PRO 153 N 3.47 3.67 0.00 4.03 0.04 -1.26 -4.78 135.00 140.17 1rgr s PRO 153 Ca 0.35 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1rgr s PRO 153 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1rgr s PRO 153 CO 0.21 -0.53 0.14 -2.30 0.04 0.00 0.00 177.00 174.56