#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 3.18 -0.04 -0.32 -0.85 -1.26 -1.89 117.35 116.16 1rgr s TYR 63 Ca 0.00 0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.66 1rgr s TYR 63 Cb 0.00 -1.92 -0.01 0.00 0.38 0.00 0.00 41.96 40.41 1rgr s TYR 63 CO 0.00 0.27 -0.19 -1.21 -1.52 0.00 0.00 175.55 172.91 1rgr s GLU 64 N -0.23 1.87 -0.04 -3.49 2.02 -0.58 -4.88 118.70 113.36 1rgr s GLU 64 Ca 0.06 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1rgr s GLU 64 Cb -0.12 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1rgr s GLU 64 CO 0.02 0.29 0.97 -1.83 0.02 0.00 0.00 175.26 174.73 1rgr s GLU 65 N -0.07 4.51 -0.13 1.61 -1.05 -1.26 -1.77 118.70 120.53 1rgr s GLU 65 Ca -0.02 1.38 -0.01 0.00 -0.15 0.00 0.00 54.97 56.17 1rgr s GLU 65 Cb -0.11 -3.49 0.03 0.00 -0.44 0.00 0.00 34.13 30.12 1rgr s GLU 65 CO 0.02 -0.13 -0.06 0.42 0.95 0.00 0.00 175.26 176.46 1rgr s ILE 66 N 1.31 1.03 -0.24 1.83 1.01 0.77 -4.99 121.20 121.92 1rgr s ILE 66 Ca 0.50 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 1rgr s ILE 66 Cb -0.20 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1rgr s ILE 66 CO 0.24 0.27 0.29 -0.89 0.00 0.00 0.00 174.94 174.86 1rgr s THR 67 N 1.69 5.25 0.30 2.92 2.01 -1.26 -1.10 115.64 125.45 1rgr s THR 67 Ca 0.03 0.44 0.11 0.00 0.31 0.00 0.00 61.69 62.58 1rgr s THR 67 Cb -0.14 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1rgr s THR 67 CO -0.08 0.25 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.72 1rgr s LEU 68 N 1.53 2.64 0.23 4.42 0.20 -0.56 -5.01 118.68 122.13 1rgr s LEU 68 Ca 0.13 -1.07 -0.25 0.00 0.69 0.00 0.00 54.13 53.63 1rgr s LEU 68 Cb -0.15 -1.08 -0.09 0.00 -0.43 0.00 0.00 46.19 44.44 1rgr s LEU 68 CO 0.08 -0.03 0.82 -1.61 -0.29 0.00 0.00 176.35 175.32 1rgr s GLU 69 N -3.54 4.53 -1.24 1.98 0.41 -1.26 -0.59 118.70 118.99 1rgr s GLU 69 Ca 0.31 1.16 -0.19 0.00 -0.41 0.00 0.00 54.97 55.84 1rgr s GLU 69 Cb -0.03 -3.06 0.06 0.00 -1.78 0.00 0.00 34.13 29.33 1rgr s GLU 69 CO 0.16 0.45 1.68 0.50 -0.49 0.00 0.00 175.26 177.56 1rgr s ARG 70 N -1.57 3.88 0.00 1.61 3.00 -0.05 -4.63 118.95 121.18 1rgr s ARG 70 Ca 0.42 -1.79 0.00 0.00 -1.00 0.00 0.00 55.73 53.36 1rgr s ARG 70 Cb -0.21 -5.50 0.00 0.00 0.00 0.00 0.00 34.95 29.25 1rgr s ARG 70 CO 0.25 -2.27 0.00 0.41 0.00 0.00 0.00 175.30 173.69 1rgr n GLY 71 N 5.74 1.14 2.05 8.12 0.00 -0.98 -4.69 105.19 116.57 1rgr n GLY 71 Ca 0.45 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 1.23 -0.82 0.15 1.61 5.15 -1.26 -4.80 115.26 116.51 1rgr n ASN 72 Ca 0.00 0.21 0.08 0.00 -0.60 0.00 0.00 54.58 54.27 1rgr n ASN 72 Cb 0.00 1.04 0.06 0.00 -0.53 0.00 0.00 39.78 40.36 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1rgr h SER 73 N 0.00 0.00 0.00 1.20 0.02 -2.00 -3.48 113.55 109.29 1rgr h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rgr h SER 73 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rgr h SER 73 CO 0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1rgr n GLY 74 N 1.18 5.11 1.09 -3.77 0.00 -1.26 -5.11 105.19 102.43 1rgr n GLY 74 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.44 0.00 0.99 0.00 -1.26 -2.73 117.00 114.43 1rgr n LEU 75 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 56.01 56.08 1rgr n LEU 75 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.30 1rgr n LEU 75 CO 0.00 -0.35 0.00 0.61 0.00 0.00 0.00 177.39 177.65 1rgr n GLY 76 N 3.09 1.93 3.42 -3.96 0.00 -1.26 -1.49 105.19 106.92 1rgr n GLY 76 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.18 0.02 1.61 -0.12 -1.26 -1.06 117.98 116.35 1rgr s PHE 77 Ca 0.00 -1.35 0.02 0.00 -0.05 0.00 0.00 56.93 55.56 1rgr s PHE 77 Cb 0.00 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1rgr s PHE 77 CO 0.00 -1.02 -0.08 -1.12 -0.05 0.00 0.00 175.22 172.96 1rgr s SER 78 N -3.24 0.90 -0.08 1.98 0.01 0.14 -4.69 113.70 108.71 1rgr s SER 78 Ca 0.33 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.25 1rgr s SER 78 Cb 0.01 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 1rgr s SER 78 CO 0.20 -0.05 -0.10 0.27 0.41 0.00 0.00 173.24 173.97 1rgr s ILE 79 N -0.77 3.39 0.38 1.44 -4.36 -1.26 0.02 121.20 120.03 1rgr s ILE 79 Ca -0.03 -0.58 -0.04 0.00 -0.26 0.00 0.00 60.65 59.74 1rgr s ILE 79 Cb -0.06 -2.38 0.08 0.00 1.25 0.00 0.00 42.46 41.35 1rgr s ILE 79 CO 0.00 0.57 0.52 0.00 0.24 0.00 0.00 174.94 176.27 1rgr n ALA 80 N 2.64 -0.33 -2.73 2.27 0.00 -0.00 -4.71 120.51 117.64 1rgr n ALA 80 Ca -0.18 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.21 1rgr n ALA 80 Cb 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.97 1.49 0.00 0.00 0.00 -1.26 -3.86 107.32 99.73 1rgr s GLY 81 Ca 0.31 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1rgr s GLY 81 CO 0.22 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 173.06 1rgr n GLY 82 N -1.33 3.22 0.37 0.20 0.00 -0.06 -4.06 105.19 103.53 1rgr n GLY 82 Ca -0.05 -2.02 0.10 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 0.00 0.87 0.00 2.61 1.35 -1.11 -2.25 112.91 114.38 1rgr h THR 83 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1rgr h THR 83 Cb 0.00 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.41 1rgr h THR 83 CO 0.00 0.15 -0.17 -0.67 -0.25 0.00 0.00 175.52 174.58 1rgr n ASP 84 N -4.58 0.20 -3.24 5.36 2.03 -1.26 -4.70 116.55 110.36 1rgr n ASP 84 Ca 0.18 0.27 -0.03 0.00 0.52 0.00 0.00 54.79 55.73 1rgr n ASP 84 Cb 0.42 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.53 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 -3.09 -0.90 -0.02 1.67 2.47 -0.87 -5.10 114.94 109.10 1rgr s ASN 85 Ca 0.13 -0.76 -0.15 0.00 0.42 0.00 0.00 52.86 52.50 1rgr s ASN 85 Cb 0.18 1.65 -0.05 0.00 -1.45 0.00 0.00 41.25 41.57 1rgr s ASN 85 CO 0.59 -0.22 0.41 -2.16 -3.72 0.00 0.00 177.10 172.00 1rgr s PRO 86 N 1.97 3.98 -0.20 0.43 0.04 -1.05 -0.88 135.00 139.30 1rgr s PRO 86 Ca 0.15 0.41 0.15 0.00 0.04 0.00 0.00 61.00 61.75 1rgr s PRO 86 Cb -0.08 -3.25 -0.23 0.00 0.04 0.00 0.00 34.50 30.98 1rgr s PRO 86 CO -0.11 0.61 0.03 1.58 0.04 0.00 0.00 177.00 179.15 1rgr n HIS 87 N 2.10 0.00 -3.86 0.56 -0.00 -1.26 -4.87 115.22 107.89 1rgr n HIS 87 Ca -0.13 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.77 1rgr n HIS 87 Cb 0.52 -0.96 -0.03 0.00 -0.12 0.00 0.00 29.99 29.39 1rgr n HIS 87 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1rgr s ILE 88 N -2.48 5.30 -1.67 3.57 -5.25 -1.26 -5.01 121.20 114.41 1rgr s ILE 88 Ca -0.13 -0.48 0.00 0.00 -0.99 0.00 0.00 60.65 59.05 1rgr s ILE 88 Cb 0.06 -3.70 0.00 0.00 2.95 0.00 0.00 42.46 41.77 1rgr s ILE 88 CO 0.77 -0.04 0.61 0.61 -1.79 0.00 0.00 174.94 175.11 1rgr n GLY 89 N -0.30 -0.12 0.00 6.27 0.00 -1.26 -2.49 105.19 107.30 1rgr n GLY 89 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1rgr n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rgr n ASP 90 N -0.29 0.63 0.00 1.61 2.03 -1.26 -5.07 116.55 114.20 1rgr n ASP 90 Ca 0.00 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1rgr n ASP 90 Cb 0.06 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1rgr n ASP 91 N -1.54 0.00 -4.06 1.67 -0.08 -1.04 -4.94 116.55 106.57 1rgr n ASP 91 Ca 0.05 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.00 1rgr n ASP 91 Cb 0.34 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.67 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 1.83 -0.27 -0.67 0.04 -1.26 -4.61 135.00 130.07 1rgr s PRO 92 Ca 0.00 -2.00 -0.12 0.00 0.04 0.00 0.00 61.00 58.92 1rgr s PRO 92 Cb 0.00 -3.41 0.10 0.00 0.04 0.00 0.00 34.50 31.23 1rgr s PRO 92 CO 0.00 -1.03 0.61 -1.12 0.04 0.00 0.00 177.00 175.50 1rgr s SER 93 N 1.10 -0.90 -0.14 6.66 0.01 -1.25 -4.38 113.70 114.80 1rgr s SER 93 Ca 0.11 1.41 -0.29 0.00 1.31 0.00 0.00 55.95 58.49 1rgr s SER 93 Cb -0.21 1.65 -0.01 0.00 0.21 0.00 0.00 66.02 67.66 1rgr s SER 93 CO -0.05 -0.23 1.09 -0.63 0.41 0.00 0.00 173.24 173.83 1rgr s ILE 94 N 2.18 4.58 0.19 1.44 -1.09 -1.11 -4.45 121.20 122.95 1rgr s ILE 94 Ca -0.08 1.88 0.10 0.00 -2.23 0.00 0.00 60.65 60.32 1rgr s ILE 94 Cb -0.09 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1rgr s ILE 94 CO -0.18 -0.06 -0.15 -0.36 -1.23 0.00 0.00 174.94 172.95 1rgr s PHE 95 N 2.56 2.50 -0.23 3.97 0.40 -1.25 -1.81 117.98 124.13 1rgr s PHE 95 Ca 0.50 -0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.40 1rgr s PHE 95 Cb -0.19 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1rgr s PHE 95 CO 0.15 0.52 0.36 0.42 0.70 0.00 0.00 175.22 177.37 1rgr s ILE 96 N -1.74 5.21 -0.05 0.64 1.01 -1.23 -0.82 121.20 124.22 1rgr s ILE 96 Ca 0.24 0.61 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 1rgr s ILE 96 Cb -0.08 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1rgr s ILE 96 CO 0.13 0.24 0.44 0.74 0.00 0.00 0.00 174.94 176.49 1rgr h THR 97 N 5.13 0.00 -3.85 2.92 2.02 -0.67 -0.67 112.91 117.79 1rgr h THR 97 Ca -0.35 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1rgr h THR 97 Cb 1.16 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.44 1rgr h THR 97 CO 0.69 0.00 -0.35 -1.59 0.37 0.00 0.00 175.52 174.64 1rgr s LYS 98 N -2.76 0.97 -0.25 6.66 -2.85 -1.04 -4.45 119.74 116.02 1rgr s LYS 98 Ca -0.05 -1.05 -0.08 0.00 -1.00 0.00 0.00 55.97 53.78 1rgr s LYS 98 Cb 0.01 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1rgr s LYS 98 CO 0.16 -0.33 0.10 0.96 0.10 0.00 0.00 175.35 176.35 1rgr s ILE 99 N -3.91 4.70 -0.12 3.79 -0.00 -1.26 0.23 121.20 124.63 1rgr s ILE 99 Ca 0.10 -0.04 -0.29 0.00 -0.00 0.00 0.00 60.65 60.41 1rgr s ILE 99 Cb 0.04 -3.19 -0.02 0.00 -0.00 0.00 0.00 42.46 39.28 1rgr s ILE 99 CO -0.06 0.34 1.32 -0.63 -0.00 0.00 0.00 174.94 175.90 1rgr s ILE 100 N 1.42 4.14 0.34 8.37 1.09 -0.23 -4.92 121.20 131.42 1rgr s ILE 100 Ca 0.06 1.41 -0.29 0.00 -1.10 0.00 0.00 60.65 60.73 1rgr s ILE 100 Cb -0.15 -3.91 -0.11 0.00 -1.06 0.00 0.00 42.46 37.23 1rgr s ILE 100 CO 0.05 -0.10 1.51 -2.84 -0.10 0.00 0.00 174.94 173.47 1rgr s PRO 101 N 3.31 4.13 0.00 2.79 0.02 -1.26 -2.57 135.00 141.41 1rgr s PRO 101 Ca 0.58 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1rgr s PRO 101 Cb -0.24 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1rgr s PRO 101 CO 0.18 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1rgr n GLY 102 N 1.14 0.94 2.95 0.52 0.00 -1.26 -5.06 105.19 104.42 1rgr n GLY 102 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.05 0.26 0.19 -0.02 0.00 -1.06 -4.99 105.19 97.51 1rgr n GLY 103 Ca 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.82 1.08 -0.16 4.61 0.00 -1.53 -2.93 119.26 119.50 1rgr h ALA 104 Ca -0.27 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1rgr h ALA 104 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rgr h ALA 104 CO 0.26 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 180.08 1rgr h ALA 105 N 1.36 1.64 -0.84 0.00 0.00 -1.72 -2.00 119.26 117.69 1rgr h ALA 105 Ca 0.01 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1rgr h ALA 105 Cb 0.85 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1rgr h ALA 105 CO 0.07 0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.93 1rgr h ALA 106 N 1.73 1.26 0.09 0.00 0.00 -1.73 0.06 119.26 120.68 1rgr h ALA 106 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rgr h ALA 106 Cb 0.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rgr h ALA 106 CO 0.01 -0.28 -0.04 0.37 0.00 0.00 0.00 179.25 179.31 1rgr h GLN 107 N 0.42 -0.12 0.08 0.00 -0.00 -1.53 -3.36 115.11 110.60 1rgr h GLN 107 Ca 0.50 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.15 1rgr h GLN 107 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.37 1rgr h GLN 107 CO -0.48 0.40 -0.04 0.22 0.00 0.00 0.00 178.83 178.94 1rgr h ASP 108 N -0.86 -0.10 -0.65 -0.69 3.58 -1.36 -3.45 116.42 112.89 1rgr h ASP 108 Ca -0.01 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 57.00 1rgr h ASP 108 Cb 0.58 0.02 -0.19 0.00 1.72 0.00 0.00 39.33 41.47 1rgr h ASP 108 CO 0.02 0.48 -0.28 -0.83 -2.88 0.00 0.00 179.24 175.75 1rgr s GLY 109 N -3.33 -1.32 0.00 -0.78 0.00 -0.44 -5.07 107.32 96.38 1rgr s GLY 109 Ca -0.15 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 1rgr s GLY 109 CO 0.58 3.93 3.00 -2.13 0.00 0.00 0.00 173.10 178.49 1rgr n ARG 110 N 4.40 1.61 0.00 2.90 0.63 -0.12 -3.91 116.66 122.17 1rgr n ARG 110 Ca 0.08 -0.72 0.00 0.00 -0.92 0.00 0.00 57.85 56.29 1rgr n ARG 110 Cb 0.59 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.72 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 2.36 0.00 -0.94 6.15 -0.00 -1.26 -4.96 117.00 118.35 1rgr n LEU 111 Ca 0.31 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.44 1rgr n LEU 111 Cb 0.75 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.42 1rgr n LEU 111 CO 0.11 0.00 0.72 -2.11 -0.00 0.00 0.00 177.39 176.11 1rgr n ARG 112 N -0.16 2.25 -0.30 1.47 1.85 -1.25 -4.80 116.66 115.71 1rgr n ARG 112 Ca 0.00 -1.87 -0.08 0.00 -1.00 0.00 0.00 57.85 54.90 1rgr n ARG 112 Cb 0.00 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 29.86 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 1.12 -0.49 -1.38 8.89 0.24 -1.26 -3.38 118.33 122.07 1rgr n VAL 113 Ca 0.18 2.01 -0.11 0.00 -2.04 0.00 0.00 64.34 64.38 1rgr n VAL 113 Cb 0.52 -2.51 -0.09 0.00 -1.47 0.00 0.00 33.84 30.30 1rgr n VAL 113 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rgr n ASN 114 N -4.67 0.41 -3.71 -1.34 3.02 -0.26 -3.52 115.26 105.19 1rgr n ASN 114 Ca 0.01 -2.18 -0.17 0.00 -0.03 0.00 0.00 54.58 52.22 1rgr n ASN 114 Cb 0.19 -1.38 -0.16 0.00 -0.61 0.00 0.00 39.78 37.82 1rgr n ASN 114 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1rgr s ASP 115 N 6.21 0.53 -1.10 6.41 1.47 -1.22 -4.98 116.67 124.00 1rgr s ASP 115 Ca 0.59 0.19 -0.22 0.00 1.18 0.00 0.00 52.55 54.29 1rgr s ASP 115 Cb -0.03 0.07 -0.00 0.00 -0.34 0.00 0.00 42.92 42.62 1rgr s ASP 115 CO 0.14 -0.20 1.75 -0.44 0.68 0.00 0.00 175.17 177.11 1rgr s SER 116 N 1.76 5.92 -0.15 2.11 0.01 -1.21 -3.49 113.70 118.66 1rgr s SER 116 Ca -0.02 -1.57 -0.29 0.00 1.31 0.00 0.00 55.95 55.38 1rgr s SER 116 Cb -0.12 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1rgr s SER 116 CO -0.04 -2.08 1.81 -0.51 0.41 0.00 0.00 173.24 172.82 1rgr s ILE 117 N 7.41 3.41 -0.17 1.44 1.10 -0.75 -1.60 121.20 132.05 1rgr s ILE 117 Ca 0.59 0.47 -0.04 0.00 -0.51 0.00 0.00 60.65 61.16 1rgr s ILE 117 Cb -0.01 -3.41 -0.09 0.00 0.15 0.00 0.00 42.46 39.10 1rgr s ILE 117 CO 0.02 -0.15 -0.19 0.00 -2.11 0.00 0.00 174.94 172.51 1rgr n LEU 118 N 8.72 2.10 -4.02 8.50 -0.00 -0.67 -3.58 117.00 128.06 1rgr n LEU 118 Ca 0.21 0.07 -0.22 0.00 -0.00 0.00 0.00 56.01 56.07 1rgr n LEU 118 Cb 0.44 -0.55 -0.16 0.00 -0.00 0.00 0.00 43.42 43.15 1rgr n LEU 118 CO 0.65 0.57 -0.45 -0.36 -0.00 0.00 0.00 177.39 177.80 1rgr s PHE 119 N -2.33 1.12 -0.15 1.47 0.40 -1.12 -2.04 117.98 115.34 1rgr s PHE 119 Ca -0.24 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1rgr s PHE 119 Cb 0.08 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.83 1rgr s PHE 119 CO 0.35 -0.13 -0.12 0.54 0.70 0.00 0.00 175.22 176.55 1rgr s VAL 120 N 0.26 1.45 0.00 -0.44 0.11 -1.09 -0.14 120.40 120.55 1rgr s VAL 120 Ca -0.05 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1rgr s VAL 120 Cb -0.10 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1rgr s VAL 120 CO 0.01 0.41 0.00 0.59 -3.33 0.00 0.00 175.10 172.78 1rgr n ASN 121 N 4.80 0.00 0.00 3.54 3.02 0.40 -1.84 115.26 125.18 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 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1rgr n ASN 121 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rgr n GLU 122 N 0.00 0.00 -2.24 3.52 1.02 -1.26 -4.97 120.64 116.71 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 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rgr s VAL 123 N 0.00 3.15 -0.60 2.62 1.01 -0.77 -5.00 120.40 120.82 1rgr s VAL 123 Ca 0.00 1.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 1rgr s VAL 123 Cb 0.00 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1rgr s VAL 123 CO 0.00 0.19 0.87 -0.62 0.00 0.00 0.00 175.10 175.53 1rgr s ASP 124 N -0.03 6.22 0.00 3.32 2.15 -1.26 -2.69 116.67 124.38 1rgr s ASP 124 Ca 0.53 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1rgr s ASP 124 Cb -0.36 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1rgr s ASP 124 CO 0.42 -1.26 0.00 1.33 -0.17 0.00 0.00 175.17 175.49 1rgr n VAL 125 N 5.88 0.00 0.00 1.11 0.24 -0.86 -4.95 118.33 119.75 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 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.50 7.34 1.85 -1.10 -3.35 116.66 118.90 1rgr n ARG 126 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 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 3.29 -4.07 2.89 2.13 -1.26 -2.73 120.64 120.88 1rgr n GLU 127 Ca 0.00 -3.41 -0.10 0.00 0.66 0.00 0.00 57.16 54.31 1rgr n GLU 127 Cb 0.00 -3.19 -0.08 0.00 0.27 0.00 0.00 31.44 28.45 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 2.33 0.02 0.32 6.31 0.11 -1.21 -4.97 120.40 123.30 1rgr s VAL 128 Ca 0.46 -1.65 -0.29 0.00 -2.93 0.00 0.00 61.98 57.57 1rgr s VAL 128 Cb 0.05 -2.24 -0.11 0.00 -1.53 0.00 0.00 36.38 32.55 1rgr s VAL 128 CO 0.01 -0.08 1.50 -0.89 -3.33 0.00 0.00 175.10 172.31 1rgr s THR 129 N -4.06 2.24 0.48 5.04 2.01 -1.26 -0.56 115.64 119.52 1rgr s THR 129 Ca 0.28 0.22 0.31 0.00 0.31 0.00 0.00 61.69 62.80 1rgr s THR 129 Cb 0.03 -3.14 0.50 0.00 0.01 0.00 0.00 72.50 69.91 1rgr s THR 129 CO 0.08 0.04 1.74 1.12 -0.69 0.00 0.00 174.62 176.91 1rgr h HIS 130 N 4.10 0.31 -0.83 4.92 2.07 -1.88 -2.43 115.15 121.42 1rgr h HIS 130 Ca -0.48 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.23 -0.09 -0.04 0.00 2.57 0.00 0.00 27.41 31.08 1rgr h HIS 130 CO 0.57 -0.02 0.49 0.77 -3.07 0.00 0.00 177.93 176.67 1rgr h SER 131 N 0.15 1.00 -0.05 3.10 0.02 -1.96 0.22 113.55 116.03 1rgr h SER 131 Ca 0.65 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.41 1rgr h SER 131 Cb 2.20 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.48 1rgr h SER 131 CO -0.18 0.78 -0.37 0.00 -1.14 0.00 0.00 176.83 175.93 1rgr h ALA 132 N 1.26 0.90 0.25 3.77 0.00 -1.83 -2.32 119.26 121.29 1rgr h ALA 132 Ca 0.30 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rgr h ALA 132 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1rgr h ALA 132 CO -0.05 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 1rgr h ALA 133 N 1.14 -0.34 -0.87 0.00 0.00 -1.38 -0.41 119.26 117.39 1rgr h ALA 133 Ca 0.05 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1rgr h ALA 133 Cb 0.85 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1rgr h ALA 133 CO 0.07 -0.51 0.39 -0.24 0.00 0.00 0.00 179.25 178.96 1rgr h VAL 134 N -0.70 0.55 0.57 0.00 3.04 -0.70 0.17 116.25 119.17 1rgr h VAL 134 Ca -0.03 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1rgr h VAL 134 Cb 0.48 0.06 0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1rgr h VAL 134 CO 0.06 0.08 -0.27 -0.08 -1.01 0.00 0.00 177.57 176.35 1rgr h GLU 135 N 0.45 -0.74 0.00 4.17 4.81 -1.40 -2.10 114.58 119.77 1rgr h GLU 135 Ca 0.52 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.75 1rgr h GLU 135 Cb 0.92 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1rgr h GLU 135 CO -0.48 -0.49 -0.23 0.00 -0.73 0.00 0.00 179.01 177.08 1rgr h ALA 136 N -0.33 1.45 0.34 2.92 0.00 -0.81 0.28 119.26 123.11 1rgr h ALA 136 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1rgr h ALA 136 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rgr h ALA 136 CO 0.13 0.29 -0.16 -0.07 0.00 0.00 0.00 179.25 179.44 1rgr h LEU 137 N 0.00 -0.39 -1.12 0.00 4.07 -0.97 -1.35 115.31 115.56 1rgr h LEU 137 Ca -0.00 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1rgr h LEU 137 Cb 0.46 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1rgr h LEU 137 CO 0.03 -0.16 -0.26 0.07 -1.08 0.00 0.00 178.44 177.04 1rgr h LYS 138 N -0.61 0.29 0.00 1.13 2.10 -1.33 -3.17 116.57 114.99 1rgr h LYS 138 Ca -0.05 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1rgr h LYS 138 Cb 0.44 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1rgr h LYS 138 CO 0.08 0.54 0.00 0.39 -2.00 0.00 0.00 179.45 178.46 1rgr n GLU 139 N -4.14 0.06 0.00 0.07 -0.58 0.98 -3.31 120.64 113.72 1rgr n GLU 139 Ca -0.01 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1rgr n GLU 139 Cb 0.38 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rgr n ALA 140 N -1.59 1.38 0.00 0.62 0.00 -0.51 -4.97 120.51 115.43 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 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.04 0.93 0.63 0.00 0.00 -1.21 -3.48 105.19 101.03 1rgr n GLY 141 Ca 0.00 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 2.48 2.00 -3.40 1.61 7.64 -1.26 -4.70 113.62 118.00 1rgr n SER 142 Ca 0.00 -1.63 -0.10 0.00 1.01 0.00 0.00 58.87 58.15 1rgr n SER 142 Cb 0.00 0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.05 -0.57 -0.24 0.44 -0.00 -1.23 -0.87 121.20 116.68 1rgr s ILE 143 Ca 0.33 -0.05 -0.20 0.00 -0.00 0.00 0.00 60.65 60.73 1rgr s ILE 143 Cb 0.20 -0.78 -0.02 0.00 -0.00 0.00 0.00 42.46 41.86 1rgr s ILE 143 CO 0.34 -0.11 0.60 0.68 -0.00 0.00 0.00 174.94 176.46 1rgr s VAL 144 N 2.53 5.01 -0.82 8.37 -7.23 0.25 -4.80 120.40 123.71 1rgr s VAL 144 Ca 0.11 1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 61.27 1rgr s VAL 144 Cb -0.15 -3.91 0.21 0.00 0.56 0.00 0.00 36.38 33.09 1rgr s VAL 144 CO -0.15 0.07 0.73 -0.13 -0.31 0.00 0.00 175.10 175.30 1rgr s ARG 145 N 2.29 3.39 0.11 4.82 0.52 -1.26 -1.49 118.95 127.32 1rgr s ARG 145 Ca 0.26 -2.64 -0.17 0.00 -0.52 0.00 0.00 55.73 52.66 1rgr s ARG 145 Cb -0.16 -4.23 -0.07 0.00 0.52 0.00 0.00 34.95 31.01 1rgr s ARG 145 CO 0.09 -1.25 0.57 -0.51 0.02 0.00 0.00 175.30 174.21 1rgr s LEU 146 N -0.19 4.44 -0.13 2.53 1.43 -0.26 -0.45 118.68 126.05 1rgr s LEU 146 Ca 0.20 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1rgr s LEU 146 Cb -0.12 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.04 1rgr s LEU 146 CO -0.08 0.19 -0.17 -0.31 0.23 0.00 0.00 176.35 176.22 1rgr s TYR 147 N -1.27 2.20 -0.04 0.29 1.51 0.80 -0.16 117.35 120.68 1rgr s TYR 147 Ca 0.33 -1.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1rgr s TYR 147 Cb -0.17 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1rgr s TYR 147 CO 0.19 -0.56 -0.08 0.14 -1.11 0.00 0.00 175.55 174.13 1rgr s VAL 148 N 1.06 0.74 -0.09 0.71 -7.23 -0.73 -1.67 120.40 113.19 1rgr s VAL 148 Ca -0.04 -0.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.72 1rgr s VAL 148 Cb -0.15 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 1rgr s VAL 148 CO -0.04 0.26 0.31 -0.32 -0.31 0.00 0.00 175.10 175.00 1rgr s MET 149 N 0.62 3.98 -0.12 4.82 1.75 -0.63 -1.53 119.30 128.19 1rgr s MET 149 Ca -0.10 0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.46 1rgr s MET 149 Cb -0.13 -3.31 -0.04 0.00 2.84 0.00 0.00 34.83 34.20 1rgr s MET 149 CO 0.01 0.51 0.10 -0.98 -0.65 0.00 0.00 175.02 174.01 1rgr s ARG 150 N -0.38 3.41 -0.64 4.11 1.70 -0.79 -3.34 118.95 123.02 1rgr s ARG 150 Ca 0.19 -0.22 -0.00 0.00 -0.47 0.00 0.00 55.73 55.23 1rgr s ARG 150 Cb -0.14 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 1rgr s ARG 150 CO 0.08 0.69 0.61 0.54 -1.08 0.00 0.00 175.30 176.13 1rgr n ARG 151 N 2.23 -1.15 -2.45 3.89 1.74 -1.26 -2.07 116.66 117.60 1rgr n ARG 151 Ca -0.19 1.37 -0.43 0.00 -0.77 0.00 0.00 57.85 57.83 1rgr n ARG 151 Cb 0.54 -5.20 -0.02 0.00 -1.02 0.00 0.00 32.46 26.76 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 -3.00 3.98 0.07 5.56 2.36 -1.26 -4.42 119.74 123.04 1rgr s LYS 152 Ca 0.00 1.29 -0.30 0.00 -2.55 0.00 0.00 55.97 54.41 1rgr s LYS 152 Cb -0.00 -3.84 -0.05 0.00 -1.05 0.00 0.00 37.83 32.88 1rgr s LYS 152 CO 0.65 -1.03 1.07 -2.14 1.55 0.00 0.00 175.35 175.45 1rgr s PRO 153 N 4.01 4.55 0.00 4.03 0.02 -1.26 -5.16 135.00 141.19 1rgr s PRO 153 Ca 0.55 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1rgr s PRO 153 Cb -0.17 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1rgr s PRO 153 CO 0.21 -0.04 0.49 -2.30 -0.33 0.00 0.00 177.00 175.03