#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 3.55 -0.17 4.31 1.13 -1.26 -3.49 117.35 121.41 1rgr s TYR 63 Ca 0.00 0.68 -0.03 0.00 -1.41 0.00 0.00 57.07 56.30 1rgr s TYR 63 Cb 0.00 -2.26 -0.02 0.00 -1.10 0.00 0.00 41.96 38.58 1rgr s TYR 63 CO 0.00 0.42 -0.05 -1.21 -2.51 0.00 0.00 175.55 172.19 1rgr s GLU 64 N -0.14 3.53 -0.17 -3.49 0.41 -0.10 -4.87 118.70 113.87 1rgr s GLU 64 Ca 0.18 -0.58 -0.21 0.00 -0.41 0.00 0.00 54.97 53.94 1rgr s GLU 64 Cb -0.14 -2.90 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 1rgr s GLU 64 CO 0.06 0.09 0.64 -1.83 -0.49 0.00 0.00 175.26 173.73 1rgr s GLU 65 N 0.73 4.26 -0.20 1.61 -1.05 -1.26 -1.47 118.70 121.32 1rgr s GLU 65 Ca -0.03 0.66 -0.04 0.00 -0.15 0.00 0.00 54.97 55.42 1rgr s GLU 65 Cb -0.15 -3.55 0.07 0.00 -0.44 0.00 0.00 34.13 30.06 1rgr s GLU 65 CO 0.02 -0.17 0.08 0.96 0.95 0.00 0.00 175.26 177.10 1rgr s ILE 66 N 1.65 0.15 -0.29 1.83 -4.36 0.20 -5.02 121.20 115.35 1rgr s ILE 66 Ca 0.30 -0.42 -0.19 0.00 -0.26 0.00 0.00 60.65 60.08 1rgr s ILE 66 Cb -0.16 -0.82 -0.02 0.00 1.25 0.00 0.00 42.46 42.72 1rgr s ILE 66 CO 0.12 -0.33 0.57 -0.89 0.24 0.00 0.00 174.94 174.65 1rgr s THR 67 N 2.02 5.00 0.38 8.37 2.01 -1.26 -1.11 115.64 131.04 1rgr s THR 67 Ca 0.02 0.83 0.08 0.00 0.31 0.00 0.00 61.69 62.93 1rgr s THR 67 Cb -0.16 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1rgr s THR 67 CO -0.13 -0.05 0.08 -0.22 -0.69 0.00 0.00 174.62 173.61 1rgr s LEU 68 N 2.47 3.04 -0.02 4.42 2.96 -0.27 -4.97 118.68 126.30 1rgr s LEU 68 Ca 0.23 -1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 52.94 1rgr s LEU 68 Cb -0.15 -1.36 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 1rgr s LEU 68 CO 0.11 -0.38 0.40 -1.61 -1.32 0.00 0.00 176.35 173.55 1rgr s GLU 69 N -3.79 3.97 -0.43 1.98 2.02 -1.26 -0.48 118.70 120.70 1rgr s GLU 69 Ca 0.37 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 1rgr s GLU 69 Cb 0.02 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 31.02 1rgr s GLU 69 CO 0.21 0.62 0.92 0.50 0.02 0.00 0.00 175.26 177.52 1rgr s ARG 70 N -0.82 3.65 0.38 1.61 3.52 -0.39 -4.44 118.95 122.46 1rgr s ARG 70 Ca 0.23 0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.86 1rgr s ARG 70 Cb -0.16 -3.88 -0.11 0.00 -1.56 0.00 0.00 34.95 29.24 1rgr s ARG 70 CO 0.12 -1.12 1.49 0.20 -0.81 0.00 0.00 175.30 175.18 1rgr s GLY 71 N 2.12 2.94 0.10 8.12 0.00 -1.22 -4.72 107.32 114.66 1rgr s GLY 71 Ca 0.37 1.58 -0.23 0.00 0.00 0.00 0.00 44.72 46.44 1rgr s GLY 71 CO 0.23 2.26 1.72 -0.57 0.00 0.00 0.00 173.10 176.75 1rgr h ASN 72 N 2.94 -0.10 1.74 1.64 -0.73 -1.96 -2.79 115.58 116.33 1rgr h ASN 72 Ca -0.51 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.67 1rgr h ASN 72 Cb 1.24 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1rgr h ASN 72 CO 0.64 -0.06 0.00 0.28 -0.37 0.00 0.00 177.43 177.92 1rgr h SER 73 N -0.07 0.00 -2.16 1.15 0.02 -2.01 -3.46 113.55 107.01 1rgr h SER 73 Ca 0.01 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.15 1rgr h SER 73 Cb 0.08 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.30 1rgr h SER 73 CO -0.03 0.00 0.71 -0.83 -1.14 0.00 0.00 176.83 175.55 1rgr s GLY 74 N -4.18 0.50 0.40 -3.77 0.00 -1.06 -5.04 107.32 94.17 1rgr s GLY 74 Ca 0.06 3.68 0.19 0.00 0.00 0.00 0.00 44.72 48.65 1rgr s GLY 74 CO 0.63 2.61 1.76 -2.00 0.00 0.00 0.00 173.10 176.10 1rgr h LEU 75 N 4.95 0.44 0.00 0.66 6.46 -1.88 -3.23 115.31 122.71 1rgr h LEU 75 Ca -0.27 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1rgr h LEU 75 Cb 1.17 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1rgr h LEU 75 CO 0.22 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.71 1rgr n GLY 76 N -1.47 1.46 3.32 3.75 0.00 -1.26 -1.94 105.19 109.04 1rgr n GLY 76 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.14 0.19 1.61 -0.12 -1.26 -0.78 117.98 116.76 1rgr s PHE 77 Ca 0.00 -1.32 0.10 0.00 -0.05 0.00 0.00 56.93 55.66 1rgr s PHE 77 Cb 0.00 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 1rgr s PHE 77 CO 0.00 -0.81 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.03 1rgr s SER 78 N -3.19 3.13 -0.12 1.98 0.01 0.21 -4.69 113.70 111.03 1rgr s SER 78 Ca 0.36 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.77 1rgr s SER 78 Cb 0.04 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1rgr s SER 78 CO 0.16 0.05 -0.21 0.27 0.41 0.00 0.00 173.24 173.92 1rgr s ILE 79 N -1.89 1.88 0.00 1.44 -4.36 -1.26 -1.41 121.20 115.59 1rgr s ILE 79 Ca 0.19 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 1rgr s ILE 79 Cb -0.07 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.99 1rgr s ILE 79 CO 0.09 0.52 0.00 0.00 0.24 0.00 0.00 174.94 175.79 1rgr n ALA 80 N 3.90 0.00 -2.50 2.27 0.00 -0.29 -4.82 120.51 119.07 1rgr n ALA 80 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 1rgr n ALA 80 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.58 1.41 0.00 0.00 0.00 -1.26 -3.81 107.32 101.07 1rgr s GLY 81 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1rgr s GLY 81 CO 0.00 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.08 1rgr n GLY 82 N -1.97 3.43 0.33 0.20 0.00 -0.17 -4.07 105.19 102.94 1rgr n GLY 82 Ca -0.03 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.03 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 0.02 0.79 -0.00 2.61 1.35 -1.10 -2.37 112.91 114.21 1rgr h THR 83 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1rgr h THR 83 Cb 0.00 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.37 1rgr h THR 83 CO 0.00 0.14 -0.13 -0.67 -0.25 0.00 0.00 175.52 174.61 1rgr n ASP 84 N -4.77 0.19 -3.22 5.36 2.03 -1.26 -4.71 116.55 110.17 1rgr n ASP 84 Ca 0.19 0.10 -0.02 0.00 0.52 0.00 0.00 54.79 55.59 1rgr n ASP 84 Cb 0.44 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 1rgr n ASP 84 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rgr s ASN 85 N -2.88 -0.87 -0.15 1.67 2.47 -0.90 -5.09 114.94 109.19 1rgr s ASN 85 Ca 0.17 -0.32 -0.09 0.00 0.42 0.00 0.00 52.86 53.03 1rgr s ASN 85 Cb 0.19 1.66 -0.05 0.00 -1.45 0.00 0.00 41.25 41.61 1rgr s ASN 85 CO 0.56 -0.28 0.17 -2.16 -3.72 0.00 0.00 177.10 171.66 1rgr s PRO 86 N 2.42 3.86 -0.05 0.43 0.04 -1.17 -1.00 135.00 139.54 1rgr s PRO 86 Ca 0.12 -0.11 0.21 0.00 0.04 0.00 0.00 61.00 61.26 1rgr s PRO 86 Cb -0.10 -3.31 -0.33 0.00 0.04 0.00 0.00 34.50 30.81 1rgr s PRO 86 CO -0.21 0.52 0.43 1.58 0.04 0.00 0.00 177.00 179.36 1rgr n HIS 87 N 2.77 0.00 -3.71 0.56 -0.00 -1.26 -4.95 115.22 108.63 1rgr n HIS 87 Ca -0.17 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.89 1rgr n HIS 87 Cb 0.53 -0.54 -0.10 0.00 -0.12 0.00 0.00 29.99 29.76 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 -3.39 -0.01 0.00 3.57 -5.25 -1.26 -5.04 121.20 109.81 1rgr s ILE 88 Ca -0.08 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.62 1rgr s ILE 88 Cb 0.13 -0.60 0.00 0.00 2.95 0.00 0.00 42.46 44.94 1rgr s ILE 88 CO 0.89 0.02 0.00 0.61 -1.79 0.00 0.00 174.94 174.66 1rgr n GLY 89 N 3.52 -0.11 0.00 6.27 0.00 -1.26 -4.64 105.19 108.97 1rgr n GLY 89 Ca -0.18 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.29 1rgr n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rgr n ASP 90 N -0.99 0.00 0.21 1.61 8.00 -1.26 -4.80 116.55 119.31 1rgr n ASP 90 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1rgr n ASP 90 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rgr n ASP 91 N -1.34 -3.69 0.00 -2.24 2.03 -1.26 -5.11 116.55 104.94 1rgr n ASP 91 Ca 0.12 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1rgr n ASP 91 Cb 0.26 3.49 0.00 0.00 -0.72 0.00 0.00 41.12 44.15 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 -3.33 3.32 -1.23 -0.67 -0.04 -1.26 -4.10 135.00 127.68 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 -2.49 -4.70 3.54 7.64 -1.19 -4.66 113.62 111.76 1rgr n SER 93 Ca 0.00 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1rgr n SER 93 Cb 0.00 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 61.79 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 -0.06 4.18 0.10 0.44 -1.09 -1.17 -4.54 121.20 119.06 1rgr s ILE 94 Ca -0.01 1.54 0.08 0.00 -2.23 0.00 0.00 60.65 60.03 1rgr s ILE 94 Cb 0.00 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1rgr s ILE 94 CO 0.02 0.06 -0.15 0.12 -1.23 0.00 0.00 174.94 173.75 1rgr s PHE 95 N 1.67 2.60 -0.50 3.97 5.36 -1.25 -1.73 117.98 128.10 1rgr s PHE 95 Ca 0.57 -0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 56.14 1rgr s PHE 95 Cb -0.27 -1.39 0.08 0.00 -0.34 0.00 0.00 43.02 41.10 1rgr s PHE 95 CO 0.26 0.39 0.52 0.42 -1.46 0.00 0.00 175.22 175.34 1rgr s ILE 96 N -1.14 5.06 -0.08 3.12 -1.09 -0.98 -1.14 121.20 124.94 1rgr s ILE 96 Ca 0.19 -0.89 -0.24 0.00 -2.23 0.00 0.00 60.65 57.47 1rgr s ILE 96 Cb -0.11 -4.25 -0.29 0.00 -1.58 0.00 0.00 42.46 36.24 1rgr s ILE 96 CO 0.11 -0.75 0.87 0.00 -1.23 0.00 0.00 174.94 173.94 1rgr h THR 97 N 5.82 1.61 -2.91 2.92 1.03 -1.55 -1.44 112.91 118.39 1rgr h THR 97 Ca -0.28 -2.41 -0.12 0.00 -0.01 0.00 0.00 66.41 63.58 1rgr h THR 97 Cb 1.10 3.22 -0.22 0.00 -1.07 0.00 0.00 68.15 71.18 1rgr h THR 97 CO 0.95 0.66 -0.26 -1.59 -0.01 0.00 0.00 175.52 175.28 1rgr s LYS 98 N -2.44 0.59 0.00 0.00 -2.85 -1.22 -4.65 119.74 109.17 1rgr s LYS 98 Ca -0.16 0.11 -0.21 0.00 -1.00 0.00 0.00 55.97 54.71 1rgr s LYS 98 Cb -0.00 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1rgr s LYS 98 CO 0.78 -0.14 0.61 0.96 0.10 0.00 0.00 175.35 177.66 1rgr s ILE 99 N -0.72 4.89 -0.29 3.79 -4.36 -1.26 0.64 121.20 123.88 1rgr s ILE 99 Ca -0.08 1.27 -0.27 0.00 -0.26 0.00 0.00 60.65 61.32 1rgr s ILE 99 Cb -0.04 -3.94 0.01 0.00 1.25 0.00 0.00 42.46 39.73 1rgr s ILE 99 CO 0.03 0.42 0.94 -0.63 0.24 0.00 0.00 174.94 175.94 1rgr s ILE 100 N -0.21 4.67 0.27 8.37 1.09 0.04 -4.90 121.20 130.54 1rgr s ILE 100 Ca 0.32 1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 61.13 1rgr s ILE 100 Cb -0.18 -4.27 -0.11 0.00 -1.06 0.00 0.00 42.46 36.84 1rgr s ILE 100 CO 0.18 -0.31 1.52 -2.84 -0.10 0.00 0.00 174.94 173.39 1rgr s PRO 101 N 3.25 4.19 0.00 2.79 0.02 -1.26 -2.53 135.00 141.45 1rgr s PRO 101 Ca 0.39 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1rgr s PRO 101 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1rgr s PRO 101 CO 0.12 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1rgr n GLY 102 N 2.15 1.90 3.80 0.52 0.00 -1.26 -5.07 105.19 107.23 1rgr n GLY 102 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.48 0.20 -0.02 0.00 -1.05 -5.03 105.19 96.80 1rgr n GLY 103 Ca 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.23 0.94 -0.69 4.61 0.00 -1.61 -3.19 119.26 118.09 1rgr h ALA 104 Ca -0.38 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.16 1rgr h ALA 104 Cb 1.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1rgr h ALA 104 CO 0.32 0.65 0.45 0.00 0.00 0.00 0.00 179.25 180.67 1rgr h ALA 105 N 1.22 1.86 -0.09 0.00 0.00 -1.58 -1.57 119.26 119.10 1rgr h ALA 105 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 105 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rgr h ALA 105 CO 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.92 1rgr h ALA 106 N 1.65 1.14 0.07 0.00 0.00 -1.78 0.25 119.26 120.60 1rgr h ALA 106 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 106 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rgr h ALA 106 CO -0.10 0.58 -0.04 -0.56 0.00 0.00 0.00 179.25 179.13 1rgr h GLN 107 N 0.17 -0.09 0.02 0.00 -0.00 -1.57 -3.29 115.11 110.34 1rgr h GLN 107 Ca 0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1rgr h GLN 107 Cb 0.80 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1rgr h GLN 107 CO 0.06 0.45 -0.01 0.22 -0.00 0.00 0.00 178.83 179.55 1rgr h ASP 108 N -0.90 -0.02 0.04 0.06 1.82 -1.41 -3.41 116.42 112.60 1rgr h ASP 108 Ca -0.01 -0.71 -0.34 0.00 -0.39 0.00 0.00 57.03 55.58 1rgr h ASP 108 Cb 0.59 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 1rgr h ASP 108 CO 0.02 0.80 -1.93 0.61 -1.61 0.00 0.00 179.24 177.13 1rgr n GLY 109 N 1.44 -0.60 4.14 -0.78 0.00 -0.82 -5.03 105.19 103.54 1rgr n GLY 109 Ca -0.08 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1rgr n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rgr n ARG 110 N -3.93 -2.40 -0.76 1.61 1.85 0.82 -4.94 116.66 108.92 1rgr n ARG 110 Ca -0.39 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1rgr n ARG 110 Cb 0.88 -4.34 0.00 0.00 -1.05 0.00 0.00 32.46 27.95 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1rgr n LEU 111 N -4.44 0.00 -4.49 2.89 -0.00 -1.26 -5.06 117.00 104.65 1rgr n LEU 111 Ca -0.23 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.43 1rgr n LEU 111 Cb 0.65 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.95 1rgr n LEU 111 CO 0.81 -0.18 -0.32 0.00 -0.00 0.00 0.00 177.39 177.70 1rgr s ARG 112 N -0.10 3.68 0.08 1.47 1.70 -1.26 -5.01 118.95 119.51 1rgr s ARG 112 Ca 0.00 -0.49 -0.18 0.00 -0.47 0.00 0.00 55.73 54.59 1rgr s ARG 112 Cb 0.00 -3.07 -0.05 0.00 -0.57 0.00 0.00 34.95 31.27 1rgr s ARG 112 CO 0.00 0.10 1.30 -0.39 -1.08 0.00 0.00 175.30 175.23 1rgr h VAL 113 N 5.25 0.00 0.00 4.99 -1.51 -1.90 -3.43 116.25 119.66 1rgr h VAL 113 Ca -0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 1rgr h VAL 113 Cb 1.18 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1rgr h VAL 113 CO 0.63 0.00 0.16 0.59 -1.23 0.00 0.00 177.57 177.71 1rgr n ASN 114 N -4.22 -0.25 -3.66 4.19 4.13 -0.54 -4.59 115.26 110.33 1rgr n ASN 114 Ca -0.00 -0.16 -0.08 0.00 1.68 0.00 0.00 54.58 56.02 1rgr n ASN 114 Cb 0.16 -0.08 -0.08 0.00 -1.54 0.00 0.00 39.78 38.24 1rgr n ASN 114 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1rgr s ASP 115 N 0.00 -0.81 -0.94 6.41 1.01 -1.26 -4.99 116.67 116.09 1rgr s ASP 115 Ca 0.03 1.32 -0.19 0.00 0.71 0.00 0.00 52.55 54.43 1rgr s ASP 115 Cb -0.02 1.29 0.13 0.00 1.01 0.00 0.00 42.92 45.32 1rgr s ASP 115 CO 0.01 -0.22 1.15 -0.44 0.21 0.00 0.00 175.17 175.88 1rgr s SER 116 N 1.72 6.62 0.14 0.27 0.01 -1.26 -2.32 113.70 118.88 1rgr s SER 116 Ca -0.09 -2.02 -0.31 0.00 1.31 0.00 0.00 55.95 54.84 1rgr s SER 116 Cb -0.07 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 1rgr s SER 116 CO -0.18 -1.09 1.65 -0.51 0.41 0.00 0.00 173.24 173.53 1rgr s ILE 117 N 2.81 2.62 -0.03 1.44 1.10 -0.70 -1.92 121.20 126.53 1rgr s ILE 117 Ca 0.34 0.33 -0.04 0.00 -0.51 0.00 0.00 60.65 60.77 1rgr s ILE 117 Cb -0.04 -3.21 -0.02 0.00 0.15 0.00 0.00 42.46 39.33 1rgr s ILE 117 CO -0.09 0.01 -0.09 0.18 -2.11 0.00 0.00 174.94 172.84 1rgr n LEU 118 N 4.65 0.84 -4.27 8.50 4.32 -0.52 -4.01 117.00 126.51 1rgr n LEU 118 Ca 0.15 0.13 -0.32 0.00 -0.02 0.00 0.00 56.01 55.96 1rgr n LEU 118 Cb 0.38 -0.30 -0.16 0.00 -1.62 0.00 0.00 43.42 41.71 1rgr n LEU 118 CO 0.63 -0.18 -0.56 -0.36 -1.22 0.00 0.00 177.39 175.70 1rgr s PHE 119 N -2.17 2.46 -0.17 -1.77 0.08 -1.16 -1.91 117.98 113.35 1rgr s PHE 119 Ca -0.09 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.21 1rgr s PHE 119 Cb 0.03 -1.62 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1rgr s PHE 119 CO 0.12 -0.24 -0.14 0.54 -0.10 0.00 0.00 175.22 175.41 1rgr s VAL 120 N -0.10 1.65 0.00 -0.44 0.11 -1.10 -0.84 120.40 119.67 1rgr s VAL 120 Ca -0.05 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1rgr s VAL 120 Cb -0.14 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1rgr s VAL 120 CO 0.04 0.38 0.00 0.59 -3.33 0.00 0.00 175.10 172.78 1rgr n ASN 121 N 4.73 0.00 0.00 3.54 3.02 -0.27 -2.24 115.26 124.04 1rgr n ASN 121 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1rgr n ASN 121 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.94 -1.96 3.52 1.02 -1.26 -4.98 120.64 118.91 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 -0.18 -0.02 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.09 2.53 -0.70 2.62 1.01 -0.95 -4.98 120.40 119.84 1rgr s VAL 123 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 1rgr s VAL 123 Cb 0.00 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 33.19 1rgr s VAL 123 CO 0.00 0.07 0.91 -0.62 0.00 0.00 0.00 175.10 175.47 1rgr s ASP 124 N 0.37 6.29 0.00 3.32 2.15 -1.26 -2.72 116.67 124.82 1rgr s ASP 124 Ca 0.60 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 52.17 1rgr s ASP 124 Cb -0.43 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 1rgr s ASP 124 CO 0.45 -1.23 0.00 1.33 -0.17 0.00 0.00 175.17 175.54 1rgr n VAL 125 N 5.66 0.00 0.00 1.11 0.24 -0.80 -4.93 118.33 119.61 1rgr n VAL 125 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1rgr n VAL 125 Cb 0.45 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.86 7.34 1.85 -0.94 -3.20 116.66 119.84 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 -1.91 -0.01 0.00 0.00 177.63 175.71 1rgr n GLU 127 N 0.00 3.46 -4.21 2.89 2.13 -1.26 -3.04 120.64 120.62 1rgr n GLU 127 Ca 0.00 -2.91 -0.12 0.00 0.66 0.00 0.00 57.16 54.79 1rgr n GLU 127 Cb 0.00 -3.01 -0.10 0.00 0.27 0.00 0.00 31.44 28.60 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1rgr s VAL 128 N 1.61 0.03 0.32 6.31 0.11 -1.19 -4.94 120.40 122.65 1rgr s VAL 128 Ca 0.50 -2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 57.26 1rgr s VAL 128 Cb 0.14 -2.50 -0.11 0.00 -1.53 0.00 0.00 36.38 32.37 1rgr s VAL 128 CO -0.06 -0.00 1.56 -0.89 -3.33 0.00 0.00 175.10 172.38 1rgr s THR 129 N -4.14 2.06 0.44 5.04 2.01 -1.26 -0.77 115.64 119.02 1rgr s THR 129 Ca 0.39 0.05 0.27 0.00 0.31 0.00 0.00 61.69 62.71 1rgr s THR 129 Cb 0.07 -3.03 0.47 0.00 0.01 0.00 0.00 72.50 70.01 1rgr s THR 129 CO 0.12 0.01 1.70 1.12 -0.69 0.00 0.00 174.62 176.88 1rgr h HIS 130 N 4.33 0.50 -0.77 4.92 2.07 -1.89 -2.13 115.15 122.17 1rgr h HIS 130 Ca -0.48 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1rgr h HIS 130 Cb 1.23 -0.13 -0.04 0.00 2.57 0.00 0.00 27.41 31.04 1rgr h HIS 130 CO 0.57 -0.07 0.49 0.66 -3.07 0.00 0.00 177.93 176.51 1rgr h SER 131 N 0.19 0.90 -0.14 3.10 4.64 -1.97 0.75 113.55 121.02 1rgr h SER 131 Ca 0.71 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.83 1rgr h SER 131 Cb 2.18 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 64.04 1rgr h SER 131 CO -0.31 0.67 -0.49 0.00 -0.87 0.00 0.00 176.83 175.82 1rgr h ALA 132 N 1.27 0.64 0.54 5.18 0.00 -1.78 -1.92 119.26 123.19 1rgr h ALA 132 Ca 0.28 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1rgr h ALA 132 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rgr h ALA 132 CO -0.06 0.68 -0.27 0.00 0.00 0.00 0.00 179.25 179.60 1rgr h ALA 133 N 0.88 -0.74 -0.55 0.00 0.00 -1.47 -0.57 119.26 116.81 1rgr h ALA 133 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1rgr h ALA 133 Cb 1.06 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1rgr h ALA 133 CO 0.10 -0.92 0.14 -0.24 0.00 0.00 0.00 179.25 178.33 1rgr h VAL 134 N -0.74 0.71 -0.39 0.00 3.04 -0.96 -0.17 116.25 117.74 1rgr h VAL 134 Ca -0.07 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1rgr h VAL 134 Cb 0.58 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 1rgr h VAL 134 CO 0.11 0.05 0.24 -0.08 -1.01 0.00 0.00 177.57 176.89 1rgr h GLU 135 N 0.28 0.52 -0.32 4.17 4.57 -1.34 -0.82 114.58 121.65 1rgr h GLU 135 Ca 0.28 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1rgr h GLU 135 Cb 0.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1rgr h GLU 135 CO -0.34 0.38 -0.05 0.00 -1.18 0.00 0.00 179.01 177.81 1rgr h ALA 136 N 1.12 1.30 -0.39 2.92 0.00 -0.85 0.38 119.26 123.74 1rgr h ALA 136 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rgr h ALA 136 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1rgr h ALA 136 CO -0.03 0.47 0.22 -0.07 0.00 0.00 0.00 179.25 179.84 1rgr h LEU 137 N 0.49 0.34 -0.78 0.00 4.07 -0.86 -0.85 115.31 117.73 1rgr h LEU 137 Ca 0.10 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.94 1rgr h LEU 137 Cb 0.40 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1rgr h LEU 137 CO 0.02 0.25 -0.50 0.11 -1.08 0.00 0.00 178.44 177.24 1rgr h LYS 138 N 0.44 0.28 0.00 1.13 1.57 -1.02 -3.23 116.57 115.75 1rgr h LYS 138 Ca 0.16 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rgr h LYS 138 Cb 0.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1rgr h LYS 138 CO -0.09 0.72 0.00 -1.91 -0.57 0.00 0.00 179.45 177.60 1rgr n GLU 139 N -3.96 0.23 0.00 3.15 4.07 0.13 -3.41 120.64 120.85 1rgr n GLU 139 Ca -0.02 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 1rgr n GLU 139 Cb 0.54 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1rgr n ALA 140 N -1.79 1.27 -0.14 4.31 0.00 -0.33 -4.97 120.51 118.85 1rgr n ALA 140 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rgr n ALA 140 Cb 0.30 -0.85 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 -0.87 0.10 0.00 0.00 0.00 -1.22 -3.34 105.19 99.86 1rgr n GLY 141 Ca 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 1.55 0.00 -3.43 1.61 7.64 -1.26 -4.52 113.62 115.21 1rgr n SER 142 Ca 0.00 0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 1rgr n SER 142 Cb 0.00 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.70 -0.43 -0.21 0.44 -0.00 -1.21 -1.26 121.20 115.84 1rgr s ILE 143 Ca 0.15 -0.19 -0.18 0.00 -0.00 0.00 0.00 60.65 60.43 1rgr s ILE 143 Cb 0.12 -0.79 -0.03 0.00 -0.00 0.00 0.00 42.46 41.76 1rgr s ILE 143 CO 0.29 -0.24 0.49 0.68 -0.00 0.00 0.00 174.94 176.16 1rgr s VAL 144 N 2.40 5.13 -0.86 8.37 -7.23 0.36 -4.84 120.40 123.73 1rgr s VAL 144 Ca 0.09 0.88 -0.10 0.00 -1.81 0.00 0.00 61.98 61.04 1rgr s VAL 144 Cb -0.15 -3.81 0.22 0.00 0.56 0.00 0.00 36.38 33.20 1rgr s VAL 144 CO -0.18 0.18 0.79 -0.13 -0.31 0.00 0.00 175.10 175.45 1rgr s ARG 145 N 1.64 3.52 -0.06 4.82 0.52 -1.26 -1.12 118.95 127.02 1rgr s ARG 145 Ca 0.22 -2.72 -0.18 0.00 -0.52 0.00 0.00 55.73 52.54 1rgr s ARG 145 Cb -0.15 -4.29 -0.05 0.00 0.52 0.00 0.00 34.95 30.98 1rgr s ARG 145 CO 0.09 -1.26 0.49 -0.51 0.02 0.00 0.00 175.30 174.14 1rgr s LEU 146 N -0.33 4.37 -0.14 2.53 1.43 -0.27 -1.11 118.68 125.16 1rgr s LEU 146 Ca 0.21 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1rgr s LEU 146 Cb -0.12 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1rgr s LEU 146 CO -0.08 0.11 -0.15 -0.31 0.23 0.00 0.00 176.35 176.15 1rgr s TYR 147 N -0.04 2.15 -0.14 0.29 2.02 -0.02 -0.63 117.35 120.99 1rgr s TYR 147 Ca 0.27 -1.15 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1rgr s TYR 147 Cb -0.16 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1rgr s TYR 147 CO 0.13 -0.61 -0.06 0.14 -1.57 0.00 0.00 175.55 173.58 1rgr s VAL 148 N 1.31 1.04 0.01 0.71 -7.23 -0.54 -1.44 120.40 114.25 1rgr s VAL 148 Ca 0.01 -0.45 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 1rgr s VAL 148 Cb -0.14 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 1rgr s VAL 148 CO -0.08 0.24 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.45 1rgr s MET 149 N 1.68 1.38 -0.50 4.82 1.75 -0.81 -0.92 119.30 126.71 1rgr s MET 149 Ca 0.03 -0.77 -0.27 0.00 -1.25 0.00 0.00 55.69 53.43 1rgr s MET 149 Cb -0.14 -1.40 0.03 0.00 2.84 0.00 0.00 34.83 36.16 1rgr s MET 149 CO -0.08 0.37 1.05 1.03 -0.65 0.00 0.00 175.02 176.74 1rgr s ARG 150 N -0.79 3.57 0.20 4.11 3.00 -1.23 -4.50 118.95 123.31 1rgr s ARG 150 Ca 0.07 0.27 -0.03 0.00 0.00 0.00 0.00 55.73 56.04 1rgr s ARG 150 Cb -0.08 -3.95 0.14 0.00 0.00 0.00 0.00 34.95 31.06 1rgr s ARG 150 CO 0.00 -1.39 1.53 -0.09 0.00 0.00 0.00 175.30 175.35 1rgr h ARG 151 N 9.25 0.57 -6.30 3.54 9.65 -1.95 -3.44 114.38 125.69 1rgr h ARG 151 Ca -0.24 -0.33 -0.55 0.00 -1.10 0.00 0.00 59.98 57.76 1rgr h ARG 151 Cb 1.07 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1rgr h ARG 151 CO 1.10 0.93 0.71 0.15 2.80 0.00 0.00 179.97 185.66 1rgr s LYS 152 N -4.09 4.35 0.98 0.20 1.02 -1.26 -5.05 119.74 115.89 1rgr s LYS 152 Ca -0.07 1.67 -0.11 0.00 0.02 0.00 0.00 55.97 57.47 1rgr s LYS 152 Cb 0.12 -3.57 0.18 0.00 -0.52 0.00 0.00 37.83 34.04 1rgr s LYS 152 CO 0.84 -0.46 1.10 -2.14 -0.92 0.00 0.00 175.35 173.77 1rgr s PRO 153 N 2.28 0.53 0.00 -1.68 0.02 -1.26 -5.13 135.00 129.75 1rgr s PRO 153 Ca 0.56 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1rgr s PRO 153 Cb -0.24 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1rgr s PRO 153 CO 0.21 -2.86 0.22 -2.30 -0.33 0.00 0.00 177.00 171.95