#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgr s TYR 63 N 0.00 1.32 -0.14 -0.32 1.13 -1.26 -1.12 117.35 116.96 1rgr s TYR 63 Ca 0.00 -0.27 -0.06 0.00 -1.41 0.00 0.00 57.07 55.34 1rgr s TYR 63 Cb 0.00 -0.86 -0.04 0.00 -1.10 0.00 0.00 41.96 39.96 1rgr s TYR 63 CO 0.00 -0.04 0.06 -1.21 -2.51 0.00 0.00 175.55 171.85 1rgr s GLU 64 N -0.28 3.59 -0.27 -3.49 0.41 0.47 -4.90 118.70 114.22 1rgr s GLU 64 Ca 0.04 -0.32 -0.08 0.00 -0.41 0.00 0.00 54.97 54.20 1rgr s GLU 64 Cb -0.06 -3.08 -0.02 0.00 -1.78 0.00 0.00 34.13 29.18 1rgr s GLU 64 CO -0.00 0.49 0.10 -1.21 -0.49 0.00 0.00 175.26 174.15 1rgr s GLU 65 N -0.26 3.58 -0.25 1.61 2.02 -1.26 -1.63 118.70 122.51 1rgr s GLU 65 Ca 0.08 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1rgr s GLU 65 Cb -0.12 -3.42 0.08 0.00 0.10 0.00 0.00 34.13 30.78 1rgr s GLU 65 CO 0.02 -0.25 0.09 0.96 0.02 0.00 0.00 175.26 176.09 1rgr s ILE 66 N 1.62 0.32 -0.22 -1.63 -4.36 0.01 -5.04 121.20 111.90 1rgr s ILE 66 Ca 0.06 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 59.57 1rgr s ILE 66 Cb -0.16 -1.10 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 1rgr s ILE 66 CO 0.05 -0.51 0.20 -0.89 0.24 0.00 0.00 174.94 174.03 1rgr s THR 67 N 1.92 5.34 0.01 8.37 2.01 -1.26 -1.02 115.64 131.02 1rgr s THR 67 Ca 0.05 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.38 1rgr s THR 67 Cb -0.17 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1rgr s THR 67 CO -0.22 0.35 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.68 1rgr s LEU 68 N 0.94 2.09 -0.69 4.42 0.20 -0.55 -5.01 118.68 120.07 1rgr s LEU 68 Ca 0.10 -0.37 -0.23 0.00 0.69 0.00 0.00 54.13 54.31 1rgr s LEU 68 Cb -0.13 -0.79 0.07 0.00 -0.43 0.00 0.00 46.19 44.90 1rgr s LEU 68 CO 0.04 0.15 1.03 -1.61 -0.29 0.00 0.00 176.35 175.67 1rgr s GLU 69 N -0.72 3.16 -0.04 1.98 2.02 -1.26 -0.42 118.70 123.42 1rgr s GLU 69 Ca 0.05 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 1rgr s GLU 69 Cb -0.07 -4.29 0.10 0.00 0.10 0.00 0.00 34.13 29.98 1rgr s GLU 69 CO 0.00 -1.88 1.32 -0.98 0.02 0.00 0.00 175.26 173.74 1rgr s ARG 70 N 4.27 0.27 0.00 1.61 1.70 -0.52 -4.83 118.95 121.44 1rgr s ARG 70 Ca 0.25 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 1rgr s ARG 70 Cb -0.14 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1rgr s ARG 70 CO 0.09 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.60 1rgr n GLY 71 N -0.86 0.73 5.87 3.88 0.00 -1.04 -0.97 105.19 112.79 1rgr n GLY 71 Ca 0.02 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.01 1.61 2.85 0.50 -2.00 115.26 118.22 1rgr n ASN 72 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 1rgr n ASN 72 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1rgr n ASN 72 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1rgr n SER 73 N 5.50 1.53 -3.64 1.20 7.64 -1.26 -4.72 113.62 119.86 1rgr n SER 73 Ca 0.00 -0.18 -0.05 0.00 1.01 0.00 0.00 58.87 59.65 1rgr n SER 73 Cb 0.00 1.51 -0.07 0.00 -1.01 0.00 0.00 64.21 64.64 1rgr n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rgr s GLY 74 N -3.34 -0.50 -0.04 0.23 0.00 -0.85 -5.06 107.32 97.76 1rgr s GLY 74 Ca -0.03 2.59 -0.05 0.00 0.00 0.00 0.00 44.72 47.23 1rgr s GLY 74 CO 0.58 2.54 -0.10 1.04 0.00 0.00 0.00 173.10 177.16 1rgr n LEU 75 N 4.32 0.69 0.00 0.66 4.32 -1.26 -2.51 117.00 123.22 1rgr n LEU 75 Ca -0.19 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1rgr n LEU 75 Cb 0.58 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1rgr n LEU 75 CO -0.01 -0.47 0.00 0.61 -1.22 0.00 0.00 177.39 176.29 1rgr n GLY 76 N 2.17 1.24 3.22 -0.72 0.00 -1.26 -0.86 105.19 108.98 1rgr n GLY 76 Ca -0.04 0.00 -0.09 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 0.08 0.16 1.61 -0.12 -1.26 -0.86 117.98 115.58 1rgr s PHE 77 Ca 0.00 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1rgr s PHE 77 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1rgr s PHE 77 CO 0.00 -0.56 0.27 -1.12 -0.05 0.00 0.00 175.22 173.76 1rgr s SER 78 N -2.76 6.22 -0.05 1.98 0.01 0.16 -4.80 113.70 114.46 1rgr s SER 78 Ca 0.03 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.44 1rgr s SER 78 Cb 0.04 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.43 1rgr s SER 78 CO -0.10 0.05 -0.12 0.27 0.41 0.00 0.00 173.24 173.74 1rgr s ILE 79 N -1.76 1.10 0.03 1.44 -4.36 -1.26 -0.77 121.20 115.62 1rgr s ILE 79 Ca 0.34 -0.50 -0.00 0.00 -0.26 0.00 0.00 60.65 60.23 1rgr s ILE 79 Cb -0.11 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.62 1rgr s ILE 79 CO 0.28 0.34 0.05 0.00 0.24 0.00 0.00 174.94 175.84 1rgr n ALA 80 N 3.53 0.00 -2.70 2.27 0.00 0.07 -4.75 120.51 118.93 1rgr n ALA 80 Ca -0.21 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1rgr n ALA 80 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.56 1.33 0.00 0.00 0.00 -1.26 -3.79 107.32 101.04 1rgr s GLY 81 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1rgr s GLY 81 CO 0.02 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1rgr n GLY 82 N -1.73 4.26 0.36 0.20 0.00 -0.51 -4.00 105.19 103.77 1rgr n GLY 82 Ca -0.05 -2.01 0.07 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 0.00 0.92 0.00 2.61 1.35 -1.00 -1.75 112.91 115.04 1rgr h THR 83 Ca 0.00 -0.34 -0.07 0.00 -0.55 0.00 0.00 66.41 65.45 1rgr h THR 83 Cb 0.00 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.26 1rgr h THR 83 CO 0.00 0.18 -0.34 -0.78 -0.25 0.00 0.00 175.52 174.33 1rgr h ASP 84 N 0.98 0.00 -2.41 5.36 3.58 -1.95 -3.41 116.42 118.57 1rgr h ASP 84 Ca 0.49 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 57.35 1rgr h ASP 84 Cb 0.49 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.16 1rgr h ASP 84 CO -0.26 0.34 -0.95 0.21 -2.88 0.00 0.00 179.24 175.70 1rgr s ASN 85 N -6.34 1.76 -0.26 2.28 2.47 -0.73 -5.12 114.94 108.99 1rgr s ASN 85 Ca 0.01 -2.87 -0.07 0.00 0.42 0.00 0.00 52.86 50.36 1rgr s ASN 85 Cb 0.10 -0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 39.46 1rgr s ASN 85 CO 0.68 -0.20 0.06 -2.16 -3.72 0.00 0.00 177.10 171.76 1rgr s PRO 86 N 0.29 3.43 -0.17 0.43 0.04 -0.76 -1.42 135.00 136.85 1rgr s PRO 86 Ca 0.30 -0.62 0.03 0.00 0.04 0.00 0.00 61.00 60.74 1rgr s PRO 86 Cb -0.02 -3.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.09 1rgr s PRO 86 CO -0.15 -0.28 -0.13 1.58 0.04 0.00 0.00 177.00 178.06 1rgr n HIS 87 N 4.89 0.00 -4.89 0.56 -0.00 -1.24 -4.86 115.22 109.68 1rgr n HIS 87 Ca -0.16 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.70 1rgr n HIS 87 Cb 0.50 -0.69 -0.14 0.00 -0.12 0.00 0.00 29.99 29.54 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 -2.35 2.87 0.00 3.57 1.09 -1.26 -4.78 121.20 120.34 1rgr s ILE 88 Ca -0.22 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.58 1rgr s ILE 88 Cb 0.06 -2.16 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 1rgr s ILE 88 CO 0.43 0.55 0.00 0.61 -0.10 0.00 0.00 174.94 176.43 1rgr n GLY 89 N 3.15 1.49 0.00 6.18 0.00 -1.26 -1.65 105.19 113.10 1rgr n GLY 89 Ca -0.18 0.05 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 1.34 0.00 0.00 0.00 173.32 174.66 1rgr n ASP 90 N 10.74 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 124.65 1rgr n ASP 90 Ca 0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1rgr n ASP 90 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1rgr n ASP 90 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1rgr n ASP 91 N -1.46 0.00 -4.43 1.67 9.92 -0.66 -4.96 116.55 116.63 1rgr n ASP 91 Ca 0.07 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.89 1rgr n ASP 91 Cb 0.27 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.75 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1rgr s PRO 92 N 0.00 4.09 -0.24 -0.24 0.04 -1.26 -3.74 135.00 133.66 1rgr s PRO 92 Ca 0.00 -2.71 -0.17 0.00 0.04 0.00 0.00 61.00 58.15 1rgr s PRO 92 Cb 0.00 -4.92 0.07 0.00 0.04 0.00 0.00 34.50 29.69 1rgr s PRO 92 CO 0.00 -1.62 0.61 -1.12 0.04 0.00 0.00 177.00 174.90 1rgr s SER 93 N 2.47 -0.73 -0.16 6.66 0.01 -1.25 -4.41 113.70 116.29 1rgr s SER 93 Ca 0.39 1.29 -0.29 0.00 1.31 0.00 0.00 55.95 58.64 1rgr s SER 93 Cb -0.05 1.23 -0.01 0.00 0.21 0.00 0.00 66.02 67.40 1rgr s SER 93 CO -0.03 -0.22 1.17 -0.63 0.41 0.00 0.00 173.24 173.95 1rgr s ILE 94 N 0.98 4.42 0.13 1.44 -1.09 -1.19 -4.40 121.20 121.49 1rgr s ILE 94 Ca -0.05 1.72 0.08 0.00 -2.23 0.00 0.00 60.65 60.17 1rgr s ILE 94 Cb -0.05 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1rgr s ILE 94 CO -0.09 -0.11 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.05 1rgr s PHE 95 N 3.04 2.69 -0.23 3.97 0.08 -1.25 -1.89 117.98 124.40 1rgr s PHE 95 Ca 0.52 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 57.22 1rgr s PHE 95 Cb -0.20 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1rgr s PHE 95 CO 0.14 0.44 0.43 0.42 -0.10 0.00 0.00 175.22 176.56 1rgr s ILE 96 N -1.34 5.15 -0.11 0.64 1.01 -1.24 -0.75 121.20 124.56 1rgr s ILE 96 Ca 0.22 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 1rgr s ILE 96 Cb -0.10 -3.76 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 1rgr s ILE 96 CO 0.14 0.19 0.45 0.74 0.00 0.00 0.00 174.94 176.46 1rgr h THR 97 N 5.20 0.89 -3.82 2.92 2.02 -1.22 0.35 112.91 119.26 1rgr h THR 97 Ca -0.33 -1.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.16 1rgr h THR 97 Cb 1.16 1.66 -0.13 0.00 -1.74 0.00 0.00 68.15 69.09 1rgr h THR 97 CO 0.70 0.29 -0.32 -0.54 0.37 0.00 0.00 175.52 176.02 1rgr s LYS 98 N -2.10 1.03 -0.37 6.66 1.02 -1.23 -4.42 119.74 120.32 1rgr s LYS 98 Ca -0.10 -1.06 -0.04 0.00 0.02 0.00 0.00 55.97 54.79 1rgr s LYS 98 Cb -0.01 0.37 0.08 0.00 -0.52 0.00 0.00 37.83 37.75 1rgr s LYS 98 CO 0.36 -0.36 0.15 0.42 -0.92 0.00 0.00 175.35 175.00 1rgr s ILE 99 N -3.92 3.45 -0.07 2.17 1.01 -1.26 0.38 121.20 122.96 1rgr s ILE 99 Ca 0.12 -1.65 -0.30 0.00 0.00 0.00 0.00 60.65 58.82 1rgr s ILE 99 Cb 0.04 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 1rgr s ILE 99 CO -0.05 -0.44 1.75 -0.63 0.00 0.00 0.00 174.94 175.57 1rgr s ILE 100 N 1.26 3.44 0.27 2.92 1.09 -0.04 -4.93 121.20 125.20 1rgr s ILE 100 Ca 0.03 0.52 -0.30 0.00 -1.10 0.00 0.00 60.65 59.79 1rgr s ILE 100 Cb -0.22 -3.36 -0.11 0.00 -1.06 0.00 0.00 42.46 37.71 1rgr s ILE 100 CO -0.01 -0.08 1.59 -2.84 -0.10 0.00 0.00 174.94 173.50 1rgr s PRO 101 N 4.35 4.14 0.00 2.79 0.02 -1.26 -2.59 135.00 142.45 1rgr s PRO 101 Ca 0.78 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.34 1rgr s PRO 101 Cb -0.34 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1rgr s PRO 101 CO 0.32 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1rgr n GLY 102 N 2.50 1.48 1.23 0.52 0.00 -1.26 -5.07 105.19 104.59 1rgr n GLY 102 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.38 0.20 -0.02 0.00 -1.07 -4.99 105.19 97.70 1rgr n GLY 103 Ca 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.75 0.85 -0.85 4.61 0.00 -1.26 -2.90 119.26 118.96 1rgr h ALA 104 Ca -0.11 -0.48 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1rgr h ALA 104 Cb 0.38 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1rgr h ALA 104 CO 0.11 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.48 1rgr h ALA 105 N 1.14 1.26 -0.96 0.00 0.00 -1.73 -2.48 119.26 116.49 1rgr h ALA 105 Ca 0.01 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1rgr h ALA 105 Cb 0.99 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1rgr h ALA 105 CO 0.09 -0.03 0.58 0.00 0.00 0.00 0.00 179.25 179.88 1rgr h ALA 106 N 1.53 1.47 0.15 0.00 0.00 -1.73 -0.59 119.26 120.09 1rgr h ALA 106 Ca 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1rgr h ALA 106 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rgr h ALA 106 CO -0.33 0.10 -0.07 -0.56 0.00 0.00 0.00 179.25 178.39 1rgr h GLN 107 N 0.86 -0.20 0.00 0.00 -0.00 -1.53 -3.39 115.11 110.86 1rgr h GLN 107 Ca 0.50 0.01 -0.28 0.00 -0.00 0.00 0.00 58.65 58.88 1rgr h GLN 107 Cb 0.59 0.05 -0.05 0.00 -0.00 0.00 0.00 27.48 28.06 1rgr h GLN 107 CO -0.30 0.24 -1.95 -3.47 -0.00 0.00 0.00 178.83 173.34 1rgr n ASP 108 N -4.94 0.46 -2.89 0.06 2.03 -0.95 -4.84 116.55 105.48 1rgr n ASP 108 Ca -0.08 0.22 -0.00 0.00 0.52 0.00 0.00 54.79 55.44 1rgr n ASP 108 Cb 0.27 0.53 0.01 0.00 -0.72 0.00 0.00 41.12 41.21 1rgr n ASP 108 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rgr s GLY 109 N -5.17 -1.48 -1.28 0.27 0.00 -0.32 -5.08 107.32 94.26 1rgr s GLY 109 Ca -0.07 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 1rgr s GLY 109 CO 0.83 4.00 1.89 -2.13 0.00 0.00 0.00 173.10 177.70 1rgr n ARG 110 N 3.60 3.69 -3.35 2.90 0.63 -0.67 -4.60 116.66 118.86 1rgr n ARG 110 Ca 0.10 -3.55 -0.06 0.00 -0.92 0.00 0.00 57.85 53.43 1rgr n ARG 110 Cb 0.60 -2.90 0.02 0.00 0.45 0.00 0.00 32.46 30.64 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1rgr n LEU 111 N 3.68 0.00 -2.09 6.15 -0.00 -1.26 -5.01 117.00 118.47 1rgr n LEU 111 Ca 0.40 -1.90 -0.11 0.00 -0.00 0.00 0.00 56.01 54.40 1rgr n LEU 111 Cb 0.36 2.96 -0.02 0.00 -0.00 0.00 0.00 43.42 46.72 1rgr n LEU 111 CO 0.81 -0.63 -0.13 -2.11 -0.00 0.00 0.00 177.39 175.33 1rgr n ARG 112 N -0.49 -1.96 -0.05 1.47 1.85 -1.26 -4.87 116.66 111.35 1rgr n ARG 112 Ca -0.06 0.59 -0.14 0.00 -1.00 0.00 0.00 57.85 57.24 1rgr n ARG 112 Cb 0.49 -5.06 -0.09 0.00 -1.05 0.00 0.00 32.46 26.76 1rgr n ARG 112 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 1rgr h VAL 113 N 0.00 0.03 -0.00 8.89 -1.51 -1.88 -3.32 116.25 118.47 1rgr h VAL 113 Ca -0.26 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.12 1rgr h VAL 113 Cb 1.05 0.03 0.02 0.00 -2.13 0.00 0.00 31.29 30.27 1rgr h VAL 113 CO 0.33 0.00 0.68 0.59 -1.23 0.00 0.00 177.57 177.94 1rgr n ASN 114 N -5.42 -0.75 -3.65 4.19 4.13 0.11 -3.90 115.26 109.97 1rgr n ASN 114 Ca -0.04 -0.97 -0.18 0.00 1.68 0.00 0.00 54.58 55.07 1rgr n ASN 114 Cb 0.37 -0.19 -0.16 0.00 -1.54 0.00 0.00 39.78 38.25 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 3.40 1.04 -1.04 6.41 1.11 -1.25 -4.97 116.67 121.38 1rgr s ASP 115 Ca 0.13 0.14 -0.23 0.00 0.18 0.00 0.00 52.55 52.77 1rgr s ASP 115 Cb 0.02 0.15 -0.01 0.00 1.07 0.00 0.00 42.92 44.15 1rgr s ASP 115 CO 0.06 -0.26 1.78 -0.44 1.18 0.00 0.00 175.17 177.49 1rgr s SER 116 N 2.26 5.70 -0.11 0.27 0.01 -1.23 -3.64 113.70 116.96 1rgr s SER 116 Ca 0.04 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 55.70 1rgr s SER 116 Cb -0.13 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1rgr s SER 116 CO -0.06 -2.28 1.91 -0.51 0.41 0.00 0.00 173.24 172.71 1rgr s ILE 117 N 8.15 3.25 -0.25 1.44 1.10 -0.79 -1.19 121.20 132.92 1rgr s ILE 117 Ca 0.61 0.29 -0.13 0.00 -0.51 0.00 0.00 60.65 60.90 1rgr s ILE 117 Cb -0.02 -3.24 -0.15 0.00 0.15 0.00 0.00 42.46 39.19 1rgr s ILE 117 CO 0.01 -0.09 -0.14 0.00 -2.11 0.00 0.00 174.94 172.61 1rgr n LEU 118 N 8.84 2.11 -3.86 8.50 -0.00 -0.39 -3.24 117.00 128.96 1rgr n LEU 118 Ca 0.22 0.29 -0.20 0.00 -0.00 0.00 0.00 56.01 56.32 1rgr n LEU 118 Cb 0.43 -0.89 -0.16 0.00 -0.00 0.00 0.00 43.42 42.80 1rgr n LEU 118 CO 0.66 0.56 -0.40 -0.36 -0.00 0.00 0.00 177.39 177.86 1rgr s PHE 119 N -2.48 0.62 -0.15 1.47 0.40 -1.07 -1.38 117.98 115.40 1rgr s PHE 119 Ca -0.35 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 1rgr s PHE 119 Cb 0.11 -0.62 0.02 0.00 0.51 0.00 0.00 43.02 43.04 1rgr s PHE 119 CO 0.55 -0.20 -0.19 0.54 0.70 0.00 0.00 175.22 176.63 1rgr s VAL 120 N 1.10 1.87 0.00 -0.44 0.11 -1.08 -0.72 120.40 121.24 1rgr s VAL 120 Ca -0.08 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1rgr s VAL 120 Cb -0.14 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1rgr s VAL 120 CO -0.01 0.51 0.00 0.59 -3.33 0.00 0.00 175.10 172.86 1rgr n ASN 121 N 4.43 0.00 0.00 3.54 3.02 -0.12 -2.39 115.26 123.75 1rgr n ASN 121 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 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 -1.84 -2.62 0.00 0.00 177.26 172.80 1rgr n GLU 122 N 0.00 0.00 -2.25 3.52 -0.00 -1.26 -4.90 120.64 115.75 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 1rgr n GLU 122 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rgr s VAL 123 N 0.00 3.21 -0.66 3.84 1.01 -1.00 -4.99 120.40 121.80 1rgr s VAL 123 Ca 0.00 1.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.80 1rgr s VAL 123 Cb 0.00 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1rgr s VAL 123 CO 0.00 0.18 0.96 1.51 0.00 0.00 0.00 175.10 177.75 1rgr s ASP 124 N 0.08 6.17 0.00 3.32 -4.77 -1.26 -2.62 116.67 117.59 1rgr s ASP 124 Ca 0.54 -1.00 0.00 0.00 -3.30 0.00 0.00 52.55 48.79 1rgr s ASP 124 Cb -0.36 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1rgr s ASP 124 CO 0.40 -1.44 0.00 1.33 0.70 0.00 0.00 175.17 176.17 1rgr n VAL 125 N 5.92 0.00 0.00 2.11 0.24 -0.48 -4.88 118.33 121.23 1rgr n VAL 125 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1rgr n VAL 125 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.60 7.34 -4.01 -1.20 -4.03 116.66 113.16 1rgr n ARG 126 Ca 0.00 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.40 1rgr n ARG 126 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 1rgr n ARG 126 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1rgr n GLU 127 N 0.00 3.07 -3.90 2.89 2.13 -1.26 -3.17 120.64 120.40 1rgr n GLU 127 Ca 0.00 -2.47 -0.09 0.00 0.66 0.00 0.00 57.16 55.26 1rgr n GLU 127 Cb 0.00 -3.14 -0.04 0.00 0.27 0.00 0.00 31.44 28.52 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 2.94 0.01 0.24 6.31 0.11 -1.26 -4.98 120.40 123.77 1rgr s VAL 128 Ca 0.54 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 1rgr s VAL 128 Cb 0.15 -1.95 -0.10 0.00 -1.53 0.00 0.00 36.38 32.95 1rgr s VAL 128 CO -0.08 -0.06 1.49 -0.89 -3.33 0.00 0.00 175.10 172.23 1rgr s THR 129 N -3.95 2.56 0.51 5.04 2.01 -1.26 -0.45 115.64 120.09 1rgr s THR 129 Ca 0.16 0.45 0.32 0.00 0.31 0.00 0.00 61.69 62.93 1rgr s THR 129 Cb -0.01 -3.29 0.51 0.00 0.01 0.00 0.00 72.50 69.72 1rgr s THR 129 CO 0.04 0.07 1.81 1.12 -0.69 0.00 0.00 174.62 176.96 1rgr h HIS 130 N 5.34 0.15 -0.83 4.92 2.07 -1.88 -1.92 115.15 123.00 1rgr h HIS 130 Ca -0.45 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1rgr h HIS 130 Cb 1.22 -0.04 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 1rgr h HIS 130 CO 0.61 0.01 0.50 0.77 -3.07 0.00 0.00 177.93 176.75 1rgr h SER 131 N 0.09 0.99 -0.35 3.10 0.02 -1.95 0.11 113.55 115.57 1rgr h SER 131 Ca 0.56 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.34 1rgr h SER 131 Cb 2.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.31 1rgr h SER 131 CO -0.08 0.76 -0.19 0.00 -1.14 0.00 0.00 176.83 176.18 1rgr h ALA 132 N 1.41 0.87 0.20 3.77 0.00 -1.74 -2.09 119.26 121.68 1rgr h ALA 132 Ca 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rgr h ALA 132 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1rgr h ALA 132 CO -0.06 0.64 -0.10 0.00 0.00 0.00 0.00 179.25 179.73 1rgr h ALA 133 N 1.06 -0.27 -1.00 0.00 0.00 -1.40 -1.30 119.26 116.34 1rgr h ALA 133 Ca 0.10 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1rgr h ALA 133 Cb 0.71 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1rgr h ALA 133 CO 0.05 -0.55 0.63 -0.24 0.00 0.00 0.00 179.25 179.14 1rgr h VAL 134 N -0.46 0.94 -0.68 0.00 3.04 -0.89 0.64 116.25 118.84 1rgr h VAL 134 Ca -0.03 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 65.25 1rgr h VAL 134 Cb 0.35 -0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 29.44 1rgr h VAL 134 CO 0.05 0.18 0.15 -0.08 -1.01 0.00 0.00 177.57 176.86 1rgr h GLU 135 N 1.01 1.09 -0.16 4.17 4.57 -1.36 -0.63 114.58 123.28 1rgr h GLU 135 Ca 0.49 -0.27 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 1rgr h GLU 135 Cb 0.46 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1rgr h GLU 135 CO -0.25 0.98 -0.33 0.00 -1.18 0.00 0.00 179.01 178.22 1rgr h ALA 136 N 1.07 1.14 -0.35 2.92 0.00 -0.85 0.27 119.26 123.45 1rgr h ALA 136 Ca 0.21 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 136 Cb 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1rgr h ALA 136 CO 0.00 0.55 -0.01 -0.07 0.00 0.00 0.00 179.25 179.73 1rgr h LEU 137 N 0.28 -0.17 -0.51 0.00 4.07 -0.79 -0.57 115.31 117.63 1rgr h LEU 137 Ca 0.03 0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 1rgr h LEU 137 Cb 0.73 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 1rgr h LEU 137 CO 0.06 -0.05 -0.01 0.11 -1.08 0.00 0.00 178.44 177.47 1rgr h LYS 138 N 0.08 0.90 0.00 1.13 1.57 -1.01 -3.15 116.57 116.09 1rgr h LYS 138 Ca 0.17 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1rgr h LYS 138 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rgr h LYS 138 CO -0.30 0.94 0.00 1.49 -0.57 0.00 0.00 179.45 181.01 1rgr h GLU 139 N 0.77 0.00 -0.89 3.15 4.57 -0.41 0.15 114.58 121.92 1rgr h GLU 139 Ca 0.14 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.47 1rgr h GLU 139 Cb 0.54 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.03 1rgr h GLU 139 CO 0.03 0.00 0.49 0.00 -1.18 0.00 0.00 179.01 178.35 1rgr h ALA 140 N 2.06 1.37 -4.06 2.92 0.00 -1.05 -3.47 119.26 117.03 1rgr h ALA 140 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rgr h ALA 140 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rgr h ALA 140 CO 0.00 -0.05 -0.05 0.41 0.00 0.00 0.00 179.25 179.56 1rgr n GLY 141 N -1.33 -0.78 3.75 0.00 0.00 -1.10 -3.53 105.19 102.21 1rgr n GLY 141 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.14 0.00 -3.39 1.61 7.64 -0.57 -4.77 113.62 113.00 1rgr n SER 142 Ca 0.01 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.75 1rgr n SER 142 Cb 0.44 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.28 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 -2.14 -0.46 -0.20 0.44 -0.00 -0.14 -1.44 121.20 117.25 1rgr s ILE 143 Ca 0.00 -0.33 -0.25 0.00 -0.00 0.00 0.00 60.65 60.07 1rgr s ILE 143 Cb 0.00 -0.91 -0.01 0.00 -0.00 0.00 0.00 42.46 41.54 1rgr s ILE 143 CO 0.00 -0.34 0.81 0.68 -0.00 0.00 0.00 174.94 176.09 1rgr s VAL 144 N 2.42 4.88 -0.88 8.37 -7.23 0.44 -4.69 120.40 123.70 1rgr s VAL 144 Ca 0.10 1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 61.73 1rgr s VAL 144 Cb -0.14 -4.11 0.23 0.00 0.56 0.00 0.00 36.38 32.91 1rgr s VAL 144 CO -0.27 -0.00 0.82 -0.13 -0.31 0.00 0.00 175.10 175.21 1rgr s ARG 145 N 2.37 3.63 -0.03 4.82 0.52 -1.26 -1.48 118.95 127.52 1rgr s ARG 145 Ca 0.36 -2.71 -0.17 0.00 -0.52 0.00 0.00 55.73 52.70 1rgr s ARG 145 Cb -0.16 -4.36 -0.05 0.00 0.52 0.00 0.00 34.95 30.90 1rgr s ARG 145 CO 0.10 -1.26 0.46 -0.51 0.02 0.00 0.00 175.30 174.11 1rgr s LEU 146 N -0.30 4.42 -0.11 2.53 1.43 -0.19 -0.94 118.68 125.51 1rgr s LEU 146 Ca 0.22 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1rgr s LEU 146 Cb -0.11 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.46 1rgr s LEU 146 CO -0.08 0.20 -0.03 -0.31 0.23 0.00 0.00 176.35 176.36 1rgr s TYR 147 N -0.50 1.13 -0.06 0.29 2.02 0.10 -0.81 117.35 119.53 1rgr s TYR 147 Ca 0.25 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1rgr s TYR 147 Cb -0.17 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1rgr s TYR 147 CO 0.13 -0.47 -0.16 0.14 -1.57 0.00 0.00 175.55 173.63 1rgr s VAL 148 N 1.82 1.35 0.18 0.71 -7.23 -0.65 -1.27 120.40 115.32 1rgr s VAL 148 Ca 0.04 -0.64 -0.09 0.00 -1.81 0.00 0.00 61.98 59.47 1rgr s VAL 148 Cb -0.13 -1.19 -0.07 0.00 0.56 0.00 0.00 36.38 35.55 1rgr s VAL 148 CO -0.07 0.40 0.49 -0.32 -0.31 0.00 0.00 175.10 175.29 1rgr s MET 149 N 0.29 3.79 -0.22 4.82 1.75 -0.33 -0.40 119.30 129.00 1rgr s MET 149 Ca -0.09 0.22 -0.16 0.00 -1.25 0.00 0.00 55.69 54.41 1rgr s MET 149 Cb -0.13 -2.78 -0.04 0.00 2.84 0.00 0.00 34.83 34.71 1rgr s MET 149 CO 0.03 0.41 0.43 1.03 -0.65 0.00 0.00 175.02 176.27 1rgr s ARG 150 N -2.51 4.14 0.11 4.11 1.81 -0.28 -3.56 118.95 122.78 1rgr s ARG 150 Ca 0.42 0.23 -0.32 0.00 -1.72 0.00 0.00 55.73 54.35 1rgr s ARG 150 Cb -0.12 -3.57 -0.11 0.00 -0.45 0.00 0.00 34.95 30.70 1rgr s ARG 150 CO 0.21 -0.12 1.59 0.07 -0.68 0.00 0.00 175.30 176.37 1rgr h ARG 151 N 7.56 -0.67 -0.68 3.54 0.11 -1.98 -3.40 114.38 118.86 1rgr h ARG 151 Ca -0.34 0.05 0.21 0.00 0.10 0.00 0.00 59.98 59.99 1rgr h ARG 151 Cb 1.16 0.15 -0.27 0.00 1.11 0.00 0.00 29.97 32.12 1rgr h ARG 151 CO 0.71 -0.45 0.44 0.21 0.10 0.00 0.00 179.97 180.99 1rgr s LYS 152 N -5.91 0.16 -0.23 0.08 2.47 -1.26 -5.01 119.74 110.04 1rgr s LYS 152 Ca -0.16 0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.32 1rgr s LYS 152 Cb 0.07 0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.62 1rgr s LYS 152 CO 0.63 -0.05 1.33 -2.14 0.16 0.00 0.00 175.35 175.28 1rgr s PRO 153 N 2.00 4.04 0.00 4.03 0.02 -1.26 -5.26 135.00 138.57 1rgr s PRO 153 Ca -0.02 1.49 0.14 0.00 0.02 0.00 0.00 61.00 62.63 1rgr s PRO 153 Cb -0.03 -3.85 0.85 0.00 0.02 0.00 0.00 34.50 31.49 1rgr s PRO 153 CO -0.16 -0.96 1.27 -2.30 -0.33 0.00 0.00 177.00 174.53