#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 2.44 0.01 4.31 1.13 -1.26 -0.94 117.35 123.04 1rgr s TYR 63 Ca 0.00 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.23 1rgr s TYR 63 Cb 0.00 -1.56 -0.01 0.00 -1.10 0.00 0.00 41.96 39.28 1rgr s TYR 63 CO 0.00 -0.05 -0.14 -1.83 -2.51 0.00 0.00 175.55 171.01 1rgr s GLU 64 N -0.48 1.10 -0.26 -3.49 -1.05 -0.59 -4.97 118.70 108.96 1rgr s GLU 64 Ca 0.06 -0.60 -0.13 0.00 -0.15 0.00 0.00 54.97 54.15 1rgr s GLU 64 Cb -0.11 -1.08 -0.04 0.00 -0.44 0.00 0.00 34.13 32.45 1rgr s GLU 64 CO 0.01 0.29 0.28 -1.83 0.95 0.00 0.00 175.26 174.95 1rgr s GLU 65 N -0.60 4.03 -0.21 -4.83 4.04 -1.26 -2.03 118.70 117.84 1rgr s GLU 65 Ca 0.04 -0.11 -0.02 0.00 0.04 0.00 0.00 54.97 54.93 1rgr s GLU 65 Cb -0.06 -3.61 0.06 0.00 0.02 0.00 0.00 34.13 30.54 1rgr s GLU 65 CO 0.00 -0.14 0.01 0.96 -1.84 0.00 0.00 175.26 174.25 1rgr s ILE 66 N 1.64 0.88 -0.21 1.83 -4.36 -0.11 -5.00 121.20 115.88 1rgr s ILE 66 Ca 0.12 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.51 1rgr s ILE 66 Cb -0.15 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.20 1rgr s ILE 66 CO 0.09 -0.20 0.44 -0.89 0.24 0.00 0.00 174.94 174.62 1rgr s THR 67 N 1.69 5.16 -0.14 8.37 2.01 -1.26 -1.03 115.64 130.44 1rgr s THR 67 Ca -0.02 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 1rgr s THR 67 Cb -0.18 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1rgr s THR 67 CO -0.08 0.21 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 1rgr s LEU 68 N 1.52 3.12 -0.32 4.42 1.02 -0.33 -4.99 118.68 123.12 1rgr s LEU 68 Ca 0.20 -0.16 -0.10 0.00 0.02 0.00 0.00 54.13 54.09 1rgr s LEU 68 Cb -0.15 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.32 1rgr s LEU 68 CO 0.09 0.19 0.18 -1.61 0.02 0.00 0.00 176.35 175.21 1rgr s GLU 69 N 0.23 3.30 0.00 1.70 2.02 -1.26 -1.65 118.70 123.04 1rgr s GLU 69 Ca -0.04 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1rgr s GLU 69 Cb -0.14 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1rgr s GLU 69 CO 0.03 -0.46 0.00 -2.13 0.02 0.00 0.00 175.26 172.73 1rgr n ARG 70 N 5.01 0.00 0.00 1.61 3.00 0.89 -4.15 116.66 123.02 1rgr n ARG 70 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1rgr n ARG 70 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 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 -0.59 5.93 5.14 0.00 -0.60 -4.71 105.19 110.36 1rgr n GLY 71 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1rgr n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rgr n ASN 72 N 0.43 0.00 -0.01 1.61 4.13 -1.26 -2.41 115.26 117.75 1rgr n ASN 72 Ca 0.00 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.35 1rgr n ASN 72 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 1rgr n ASN 72 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1rgr n SER 73 N 5.45 0.92 0.00 6.41 7.64 -1.26 -5.10 113.62 127.69 1rgr n SER 73 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1rgr n SER 73 Cb 0.00 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 1rgr n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rgr n GLY 74 N 1.47 -0.97 0.00 0.23 0.00 -1.01 -5.05 105.19 99.85 1rgr n GLY 74 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.21 0.00 0.99 7.99 -1.26 -1.56 117.00 124.38 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1rgr n LEU 75 CO 0.00 0.20 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 1rgr n GLY 76 N 2.32 0.71 3.59 -0.72 0.00 -1.26 -0.25 105.19 109.59 1rgr n GLY 76 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.36 -0.78 -0.28 1.61 -0.71 -1.26 -1.49 117.98 113.71 1rgr s PHE 77 Ca 0.00 1.85 -0.11 0.00 -1.04 0.00 0.00 56.93 57.63 1rgr s PHE 77 Cb 0.00 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 1rgr s PHE 77 CO 0.00 -0.38 0.19 -1.12 -1.34 0.00 0.00 175.22 172.57 1rgr s SER 78 N 0.50 6.02 -0.08 1.98 0.01 0.01 -4.83 113.70 117.31 1rgr s SER 78 Ca -0.01 -0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.11 1rgr s SER 78 Cb -0.05 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 1rgr s SER 78 CO -0.01 -0.05 0.32 0.27 0.41 0.00 0.00 173.24 174.18 1rgr s ILE 79 N 1.74 5.22 0.74 1.44 -4.36 -1.26 -2.93 121.20 121.79 1rgr s ILE 79 Ca 0.07 0.63 -0.07 0.00 -0.26 0.00 0.00 60.65 61.02 1rgr s ILE 79 Cb -0.16 -3.63 0.16 0.00 1.25 0.00 0.00 42.46 40.08 1rgr s ILE 79 CO 0.11 0.51 1.01 0.00 0.24 0.00 0.00 174.94 176.80 1rgr n ALA 80 N 2.55 -0.59 -2.39 2.27 0.00 0.96 -4.87 120.51 118.43 1rgr n ALA 80 Ca -0.14 -1.59 -0.20 0.00 0.00 0.00 0.00 53.44 51.51 1rgr n ALA 80 Cb 0.53 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -5.13 1.80 0.00 0.00 0.00 -1.25 -3.53 107.32 99.22 1rgr s GLY 81 Ca 0.61 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1rgr s GLY 81 CO 0.42 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.60 1rgr n GLY 82 N -1.53 1.81 0.30 0.20 0.00 -1.19 -3.97 105.19 100.81 1rgr n GLY 82 Ca 0.01 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.01 0.71 0.00 2.61 1.35 -1.30 -1.75 112.91 114.52 1rgr h THR 83 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1rgr h THR 83 Cb 0.00 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1rgr h THR 83 CO 0.00 0.10 -0.21 -0.67 -0.25 0.00 0.00 175.52 174.50 1rgr n ASP 84 N -4.91 0.64 -2.94 5.36 2.03 -1.26 -4.53 116.55 110.94 1rgr n ASP 84 Ca 0.16 0.38 -0.14 0.00 0.52 0.00 0.00 54.79 55.71 1rgr n ASP 84 Cb 0.43 -0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1rgr n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1rgr n ASN 85 N -2.05 1.25 -4.73 1.67 5.15 -0.82 -5.11 115.26 110.63 1rgr n ASN 85 Ca 0.05 -2.91 -0.40 0.00 -0.60 0.00 0.00 54.58 50.72 1rgr n ASN 85 Cb 0.41 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.04 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 -2.78 4.52 -0.09 1.20 0.04 -0.72 -3.15 135.00 134.03 1rgr s PRO 86 Ca 0.35 1.14 0.20 0.00 0.04 0.00 0.00 61.00 62.73 1rgr s PRO 86 Cb 0.40 -3.41 -0.30 0.00 0.04 0.00 0.00 34.50 31.23 1rgr s PRO 86 CO -0.03 0.14 0.35 1.58 0.04 0.00 0.00 177.00 179.08 1rgr n HIS 87 N 3.31 0.03 -3.46 0.56 -0.00 -1.26 -4.92 115.22 109.49 1rgr n HIS 87 Ca 0.00 0.01 -0.36 0.00 0.46 0.00 0.00 57.72 57.83 1rgr n HIS 87 Cb 0.51 -0.70 -0.06 0.00 -0.12 0.00 0.00 29.99 29.62 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 -3.14 4.97 -1.83 3.57 1.09 -1.26 -4.98 121.20 119.62 1rgr s ILE 88 Ca -0.09 0.75 0.07 0.00 -1.10 0.00 0.00 60.65 60.29 1rgr s ILE 88 Cb 0.11 -3.72 0.17 0.00 -1.06 0.00 0.00 42.46 37.97 1rgr s ILE 88 CO 0.88 0.39 0.93 0.61 -0.10 0.00 0.00 174.94 177.65 1rgr n GLY 89 N 1.24 -0.30 0.07 6.18 0.00 -1.26 -1.35 105.19 109.77 1rgr n GLY 89 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.08 0.65 0.00 1.61 9.92 -1.26 -5.07 116.55 121.32 1rgr n ASP 90 Ca 0.05 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 1rgr n ASP 90 Cb 0.03 0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1rgr n ASP 91 N -1.26 0.00 -4.08 -2.24 -0.08 -0.45 -4.95 116.55 103.49 1rgr n ASP 91 Ca 0.07 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.00 1rgr n ASP 91 Cb 0.34 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.69 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1rgr s PRO 92 N 0.00 2.26 -0.23 -0.67 0.04 -1.26 -4.25 135.00 130.90 1rgr s PRO 92 Ca 0.00 -2.30 -0.13 0.00 0.04 0.00 0.00 61.00 58.61 1rgr s PRO 92 Cb 0.00 -3.61 0.07 0.00 0.04 0.00 0.00 34.50 31.00 1rgr s PRO 92 CO 0.00 -1.12 0.55 -1.12 0.04 0.00 0.00 177.00 175.35 1rgr s SER 93 N 0.91 -0.74 -0.47 6.66 0.01 -1.25 -4.25 113.70 114.57 1rgr s SER 93 Ca 0.14 1.21 -0.27 0.00 1.31 0.00 0.00 55.95 58.34 1rgr s SER 93 Cb -0.22 1.08 0.03 0.00 0.21 0.00 0.00 66.02 67.13 1rgr s SER 93 CO -0.03 -0.22 1.00 -0.63 0.41 0.00 0.00 173.24 173.77 1rgr s ILE 94 N 1.52 4.38 -0.06 1.44 -1.09 -1.24 -4.47 121.20 121.68 1rgr s ILE 94 Ca -0.10 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 1rgr s ILE 94 Cb -0.07 -4.50 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 1rgr s ILE 94 CO -0.16 -0.90 -0.10 0.12 -1.23 0.00 0.00 174.94 172.66 1rgr s PHE 95 N 4.00 1.26 -0.23 3.97 5.36 -1.23 -1.46 117.98 129.65 1rgr s PHE 95 Ca 0.41 -0.43 -0.27 0.00 -0.96 0.00 0.00 56.93 55.67 1rgr s PHE 95 Cb -0.09 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 1rgr s PHE 95 CO 0.28 -0.23 0.97 0.42 -1.46 0.00 0.00 175.22 175.20 1rgr s ILE 96 N 0.63 4.74 -0.06 3.12 1.01 -1.22 -0.03 121.20 129.39 1rgr s ILE 96 Ca -0.12 1.87 0.13 0.00 0.00 0.00 0.00 60.65 62.53 1rgr s ILE 96 Cb -0.15 -4.24 -0.20 0.00 0.01 0.00 0.00 42.46 37.88 1rgr s ILE 96 CO 0.03 -0.14 0.73 0.00 0.00 0.00 0.00 174.94 175.56 1rgr h THR 97 N 5.44 0.78 -4.01 2.92 1.03 -1.75 -1.89 112.91 115.42 1rgr h THR 97 Ca -0.21 -2.54 -0.11 0.00 -0.01 0.00 0.00 66.41 63.54 1rgr h THR 97 Cb 1.07 2.33 -0.14 0.00 -1.07 0.00 0.00 68.15 70.35 1rgr h THR 97 CO 0.94 0.45 -0.48 -1.59 -0.01 0.00 0.00 175.52 174.83 1rgr s LYS 98 N -2.69 0.85 -0.02 0.00 -2.85 -1.16 -4.79 119.74 109.08 1rgr s LYS 98 Ca -0.04 -1.13 0.07 0.00 -1.00 0.00 0.00 55.97 53.87 1rgr s LYS 98 Cb 0.08 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 1rgr s LYS 98 CO 0.82 -0.26 -0.22 0.42 0.10 0.00 0.00 175.35 176.22 1rgr s ILE 99 N -3.92 1.74 -0.11 3.79 1.01 -1.26 -0.81 121.20 121.64 1rgr s ILE 99 Ca 0.10 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1rgr s ILE 99 Cb 0.06 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1rgr s ILE 99 CO -0.07 0.49 1.05 -0.63 0.00 0.00 0.00 174.94 175.78 1rgr s ILE 100 N -0.45 4.68 0.50 2.92 1.09 -0.56 -4.87 121.20 124.51 1rgr s ILE 100 Ca 0.07 1.96 -0.22 0.00 -1.10 0.00 0.00 60.65 61.35 1rgr s ILE 100 Cb -0.09 -4.26 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 1rgr s ILE 100 CO -0.00 -0.01 1.21 -2.16 -0.10 0.00 0.00 174.94 173.87 1rgr s PRO 101 N 2.15 3.52 0.00 2.79 0.04 -1.26 -2.97 135.00 139.27 1rgr s PRO 101 Ca 0.49 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1rgr s PRO 101 Cb -0.19 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1rgr s PRO 101 CO 0.18 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1rgr n GLY 102 N 0.49 2.54 0.00 0.56 0.00 -1.26 -4.99 105.19 102.53 1rgr n GLY 102 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.37 0.12 -0.02 0.00 -1.16 -4.94 105.19 98.57 1rgr n GLY 103 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.42 -0.12 -0.86 4.61 0.00 -0.78 -2.36 119.26 119.34 1rgr h ALA 104 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 104 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1rgr h ALA 104 CO 0.00 -0.58 0.57 0.00 0.00 0.00 0.00 179.25 179.23 1rgr h ALA 105 N 0.79 1.42 -1.00 0.00 0.00 -1.77 -1.05 119.26 117.66 1rgr h ALA 105 Ca 0.02 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.16 1rgr h ALA 105 Cb 0.16 -0.33 -0.14 0.00 0.00 0.00 0.00 17.79 17.49 1rgr h ALA 105 CO -0.05 0.52 0.57 0.00 0.00 0.00 0.00 179.25 180.29 1rgr h ALA 106 N 1.48 1.87 0.00 0.00 0.00 -1.56 0.97 119.26 122.03 1rgr h ALA 106 Ca 0.33 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1rgr h ALA 106 Cb -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rgr h ALA 106 CO -0.08 -0.45 -0.25 1.96 0.00 0.00 0.00 179.25 180.43 1rgr h GLN 107 N 0.42 0.00 0.01 0.00 4.20 -1.32 -3.42 115.11 115.00 1rgr h GLN 107 Ca 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.41 1rgr h GLN 107 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1rgr h GLN 107 CO -0.56 0.68 -0.01 0.22 -0.67 0.00 0.00 178.83 178.50 1rgr h ASP 108 N -1.00 -0.02 -0.90 1.46 1.82 -1.05 -3.46 116.42 113.26 1rgr h ASP 108 Ca -0.06 -0.67 0.03 0.00 -0.39 0.00 0.00 57.03 55.94 1rgr h ASP 108 Cb 0.77 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.58 1rgr h ASP 108 CO -0.03 0.80 -0.35 -0.83 -1.61 0.00 0.00 179.24 177.21 1rgr s GLY 109 N -3.93 -1.25 -0.06 -0.78 0.00 0.14 -5.04 107.32 96.40 1rgr s GLY 109 Ca -0.13 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.58 1rgr s GLY 109 CO 0.49 3.74 0.88 -0.96 0.00 0.00 0.00 173.10 177.26 1rgr n ARG 110 N 5.09 2.07 0.00 2.90 1.85 -0.07 -3.96 116.66 124.53 1rgr n ARG 110 Ca 0.07 -0.89 0.00 0.00 -1.00 0.00 0.00 57.85 56.03 1rgr n ARG 110 Cb 0.55 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 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 0.17 0.00 -0.44 2.89 -0.00 -1.26 -4.79 117.00 113.57 1rgr n LEU 111 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1rgr n LEU 111 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1rgr n LEU 111 CO 0.09 0.00 0.26 -2.11 -0.00 0.00 0.00 177.39 175.63 1rgr n ARG 112 N -0.09 0.92 -0.41 1.47 1.85 -1.25 -4.54 116.66 114.61 1rgr n ARG 112 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1rgr n ARG 112 Cb 0.00 -1.40 -0.08 0.00 -1.05 0.00 0.00 32.46 29.93 1rgr n ARG 112 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1rgr n VAL 113 N -0.03 -0.65 0.00 8.89 0.24 -1.26 -1.98 118.33 123.54 1rgr n VAL 113 Ca 0.00 2.36 0.00 0.00 -2.04 0.00 0.00 64.34 64.66 1rgr n VAL 113 Cb 0.20 -2.94 0.00 0.00 -1.47 0.00 0.00 33.84 29.63 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 -5.25 0.00 -4.42 -1.34 3.02 -0.71 -3.41 115.26 103.14 1rgr n ASN 114 Ca 0.03 -0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 1rgr n ASN 114 Cb 0.27 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.05 5.90 -0.90 6.41 1.01 -0.84 -4.97 116.67 124.34 1rgr s ASP 115 Ca 0.00 -0.90 -0.25 0.00 0.71 0.00 0.00 52.55 52.11 1rgr s ASP 115 Cb 0.00 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.77 1rgr s ASP 115 CO 0.00 -0.39 2.05 -0.94 0.21 0.00 0.00 175.17 176.10 1rgr s SER 116 N 1.62 4.83 -0.64 0.27 1.04 -1.26 -3.65 113.70 115.91 1rgr s SER 116 Ca 0.04 -0.58 -0.27 0.00 0.48 0.00 0.00 55.95 55.62 1rgr s SER 116 Cb -0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1rgr s SER 116 CO 0.08 -3.05 1.59 0.27 0.98 0.00 0.00 173.24 173.11 1rgr s ILE 117 N 11.29 3.55 0.04 -1.02 -4.36 -0.53 -3.94 121.20 126.23 1rgr s ILE 117 Ca 0.75 0.36 -0.14 0.00 -0.26 0.00 0.00 60.65 61.36 1rgr s ILE 117 Cb -0.08 -4.34 -0.35 0.00 1.25 0.00 0.00 42.46 38.94 1rgr s ILE 117 CO 0.02 -1.26 1.03 0.17 0.24 0.00 0.00 174.94 175.14 1rgr h LEU 118 N 14.64 0.78 -8.32 0.37 8.10 -1.28 -3.39 115.31 126.20 1rgr h LEU 118 Ca -0.27 -0.84 -0.35 0.00 0.11 0.00 0.00 57.88 56.53 1rgr h LEU 118 Cb 1.11 -0.25 -0.21 0.00 -0.44 0.00 0.00 40.66 40.87 1rgr h LEU 118 CO 1.23 1.65 -0.76 -0.36 -4.11 0.00 0.00 178.44 176.09 1rgr s PHE 119 N -2.62 1.00 -0.08 0.17 0.08 -1.20 -1.17 117.98 114.15 1rgr s PHE 119 Ca -0.08 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1rgr s PHE 119 Cb 0.05 -0.57 0.02 0.00 -0.57 0.00 0.00 43.02 41.95 1rgr s PHE 119 CO 0.94 -0.00 -0.07 0.54 -0.10 0.00 0.00 175.22 176.53 1rgr s VAL 120 N -1.41 0.86 0.00 -0.44 0.11 -1.23 -1.14 120.40 117.14 1rgr s VAL 120 Ca -0.04 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1rgr s VAL 120 Cb -0.09 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1rgr s VAL 120 CO 0.01 0.32 0.00 0.59 -3.33 0.00 0.00 175.10 172.70 1rgr n ASN 121 N 4.55 0.00 0.00 3.54 3.02 0.31 -1.88 115.26 124.80 1rgr n ASN 121 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1rgr n ASN 121 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.99 3.52 2.13 -1.26 -4.95 120.64 118.08 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 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 2.52 -0.88 6.31 1.01 -0.79 -4.95 120.40 123.62 1rgr s VAL 123 Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 1rgr s VAL 123 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.13 1rgr s VAL 123 CO 0.00 0.10 1.31 -0.62 0.00 0.00 0.00 175.10 175.89 1rgr s ASP 124 N -0.05 6.38 0.00 3.32 -1.08 -1.26 -3.56 116.67 120.41 1rgr s ASP 124 Ca 0.54 -1.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.41 1rgr s ASP 124 Cb -0.42 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.51 1rgr s ASP 124 CO 0.51 -1.55 0.00 1.33 0.52 0.00 0.00 175.17 175.98 1rgr n VAL 125 N 6.46 0.00 0.00 1.11 0.24 -1.24 -4.98 118.33 119.92 1rgr n VAL 125 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1rgr n VAL 125 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.84 7.34 1.85 -0.32 -3.90 116.66 119.79 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 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 3.07 -4.22 2.89 1.02 -1.26 -3.67 120.64 118.46 1rgr n GLU 127 Ca 0.00 -2.78 -0.13 0.00 -0.02 0.00 0.00 57.16 54.23 1rgr n GLU 127 Cb 0.00 -3.19 -0.10 0.00 -0.02 0.00 0.00 31.44 28.13 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 2.52 0.39 0.27 2.62 -7.23 -1.25 -4.96 120.40 112.76 1rgr s VAL 128 Ca 0.46 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1rgr s VAL 128 Cb 0.13 -2.23 -0.13 0.00 0.56 0.00 0.00 36.38 34.71 1rgr s VAL 128 CO -0.07 -0.33 1.42 0.35 -0.31 0.00 0.00 175.10 176.16 1rgr n THR 129 N -0.24 1.14 -0.22 5.32 -2.24 -1.26 -0.87 114.28 115.91 1rgr n THR 129 Ca -0.04 -0.28 0.31 0.00 -2.27 0.00 0.00 64.05 61.76 1rgr n THR 129 Cb 0.64 -1.58 0.73 0.00 -2.10 0.00 0.00 70.33 68.02 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1rgr h HIS 130 N 4.05 0.00 0.38 4.78 2.07 -1.89 -2.20 115.15 122.33 1rgr h HIS 130 Ca -0.46 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1rgr h HIS 130 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 1rgr h HIS 130 CO 0.56 0.00 -0.32 0.77 -3.07 0.00 0.00 177.93 175.87 1rgr h SER 131 N 0.00 -0.84 -0.91 3.10 0.02 -1.98 0.22 113.55 113.15 1rgr h SER 131 Ca 0.46 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.54 1rgr h SER 131 Cb 1.89 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 64.64 1rgr h SER 131 CO -0.00 -0.47 0.59 0.00 -1.14 0.00 0.00 176.83 175.81 1rgr h ALA 132 N -0.21 1.50 0.53 3.77 0.00 -1.79 -0.66 119.26 122.40 1rgr h ALA 132 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rgr h ALA 132 Cb 0.62 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rgr h ALA 132 CO -0.02 0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1rgr h ALA 133 N 1.50 -0.71 -0.98 0.00 0.00 -1.50 -2.00 119.26 115.58 1rgr h ALA 133 Ca 0.39 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1rgr h ALA 133 Cb 0.18 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1rgr h ALA 133 CO -0.14 -0.84 0.63 -0.24 0.00 0.00 0.00 179.25 178.65 1rgr h VAL 134 N -0.81 1.11 -0.52 0.00 3.04 -0.33 0.19 116.25 118.92 1rgr h VAL 134 Ca -0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1rgr h VAL 134 Cb 0.59 -0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 29.68 1rgr h VAL 134 CO 0.12 0.21 0.29 -0.33 -1.01 0.00 0.00 177.57 176.86 1rgr h GLU 135 N 1.17 0.72 -0.13 4.17 4.39 -1.23 -1.88 114.58 121.79 1rgr h GLU 135 Ca 0.41 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.98 1rgr h GLU 135 Cb 0.11 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1rgr h GLU 135 CO -0.16 0.55 -0.16 0.00 -1.16 0.00 0.00 179.01 178.08 1rgr h ALA 136 N 1.13 1.50 -0.12 3.43 0.00 -0.65 0.23 119.26 124.77 1rgr h ALA 136 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rgr h ALA 136 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rgr h ALA 136 CO -0.03 0.36 0.08 -0.07 0.00 0.00 0.00 179.25 179.59 1rgr h LEU 137 N 0.20 0.14 -0.85 0.00 4.07 -0.56 -0.86 115.31 117.45 1rgr h LEU 137 Ca 0.04 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 1rgr h LEU 137 Cb 0.40 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1rgr h LEU 137 CO 0.02 0.11 -0.45 0.11 -1.08 0.00 0.00 178.44 177.15 1rgr h LYS 138 N 0.17 0.27 0.00 1.13 1.57 -1.26 -3.21 116.57 115.24 1rgr h LYS 138 Ca 0.05 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1rgr h LYS 138 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1rgr h LYS 138 CO -0.01 0.67 -0.11 1.49 -0.57 0.00 0.00 179.45 180.93 1rgr h GLU 139 N 0.22 0.00 -0.63 3.15 4.57 -0.49 -1.94 114.58 119.47 1rgr h GLU 139 Ca 0.02 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.38 1rgr h GLU 139 Cb 0.89 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1rgr h GLU 139 CO 0.07 0.11 0.54 0.00 -1.18 0.00 0.00 179.01 178.55 1rgr h ALA 140 N 1.89 2.46 0.00 2.92 0.00 -1.15 -3.48 119.26 121.90 1rgr h ALA 140 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rgr h ALA 140 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rgr h ALA 140 CO 0.01 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1rgr n GLY 141 N -1.60 1.07 0.63 0.00 0.00 -0.73 -3.19 105.19 101.38 1rgr n GLY 141 Ca 0.12 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 1.37 1.95 -3.37 1.61 7.64 -1.26 -3.85 113.62 117.72 1rgr n SER 142 Ca 0.00 -1.67 -0.13 0.00 1.01 0.00 0.00 58.87 58.08 1rgr n SER 142 Cb 0.00 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.92 -0.51 -0.32 0.44 -0.00 -1.19 -0.08 121.20 117.62 1rgr s ILE 143 Ca 0.35 -0.34 -0.25 0.00 -0.00 0.00 0.00 60.65 60.41 1rgr s ILE 143 Cb 0.20 -0.94 0.01 0.00 -0.00 0.00 0.00 42.46 41.72 1rgr s ILE 143 CO 0.31 -0.34 0.86 0.68 -0.00 0.00 0.00 174.94 176.46 1rgr s VAL 144 N 2.45 4.70 -0.88 8.37 -7.23 -0.66 -4.73 120.40 122.43 1rgr s VAL 144 Ca 0.10 1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 61.40 1rgr s VAL 144 Cb -0.14 -4.23 0.23 0.00 0.56 0.00 0.00 36.38 32.80 1rgr s VAL 144 CO -0.28 -0.35 0.83 -0.13 -0.31 0.00 0.00 175.10 174.85 1rgr s ARG 145 N 3.17 3.68 -0.00 4.82 0.52 -1.26 -1.18 118.95 128.69 1rgr s ARG 145 Ca 0.35 -2.65 -0.22 0.00 -0.52 0.00 0.00 55.73 52.70 1rgr s ARG 145 Cb -0.13 -4.41 -0.05 0.00 0.52 0.00 0.00 34.95 30.87 1rgr s ARG 145 CO 0.14 -1.27 0.65 -0.51 0.02 0.00 0.00 175.30 174.33 1rgr s LEU 146 N -0.19 4.41 -0.19 2.53 1.43 -0.20 -0.53 118.68 125.95 1rgr s LEU 146 Ca 0.21 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1rgr s LEU 146 Cb -0.10 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1rgr s LEU 146 CO -0.09 0.04 -0.17 -0.31 0.23 0.00 0.00 176.35 176.05 1rgr s TYR 147 N 0.02 2.82 -0.12 0.29 2.02 -0.29 -0.93 117.35 121.16 1rgr s TYR 147 Ca 0.34 -1.58 0.00 0.00 -0.37 0.00 0.00 57.07 55.46 1rgr s TYR 147 Cb -0.19 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1rgr s TYR 147 CO 0.19 -0.78 -0.11 0.54 -1.57 0.00 0.00 175.55 173.81 1rgr s VAL 148 N 1.31 1.30 -0.15 0.71 0.11 -0.86 -0.92 120.40 121.89 1rgr s VAL 148 Ca 0.05 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1rgr s VAL 148 Cb -0.13 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1rgr s VAL 148 CO -0.11 0.41 0.13 -0.32 -3.33 0.00 0.00 175.10 171.87 1rgr s MET 149 N 1.44 3.69 -0.37 1.54 1.75 -1.25 -1.55 119.30 124.54 1rgr s MET 149 Ca 0.02 -0.18 -0.18 0.00 -1.25 0.00 0.00 55.69 54.10 1rgr s MET 149 Cb -0.13 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.29 1rgr s MET 149 CO -0.07 0.60 0.49 1.03 -0.65 0.00 0.00 175.02 176.41 1rgr s ARG 150 N -0.50 3.47 0.08 4.11 1.81 -0.11 -4.78 118.95 123.03 1rgr s ARG 150 Ca 0.12 -0.34 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 1rgr s ARG 150 Cb -0.12 -3.85 -0.16 0.00 -0.45 0.00 0.00 34.95 30.37 1rgr s ARG 150 CO 0.02 -0.71 1.64 -0.09 -0.68 0.00 0.00 175.30 175.49 1rgr h ARG 151 N 8.56 -0.66 -5.16 3.54 2.43 -1.98 -3.01 114.38 118.10 1rgr h ARG 151 Ca -0.28 0.04 -0.62 0.00 -0.81 0.00 0.00 59.98 58.32 1rgr h ARG 151 Cb 1.12 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.68 1rgr h ARG 151 CO 0.78 -0.44 -0.39 0.15 -1.51 0.00 0.00 179.97 178.56 1rgr s LYS 152 N -6.07 4.08 0.30 0.20 1.02 -1.26 -4.91 119.74 113.10 1rgr s LYS 152 Ca -0.17 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 1rgr s LYS 152 Cb 0.05 -3.57 -0.12 0.00 -0.52 0.00 0.00 37.83 33.67 1rgr s LYS 152 CO 0.63 -0.04 1.50 -2.30 -0.92 0.00 0.00 175.35 174.22 1rgr n PRO 153 N 4.58 2.49 0.00 -1.68 -0.02 -1.26 -5.05 135.00 134.05 1rgr n PRO 153 Ca -0.12 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.27 1rgr n PRO 153 Cb 0.52 -2.61 0.18 0.00 -0.02 0.00 0.00 33.50 31.57 1rgr n PRO 153 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18