#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 2.88 -0.12 -1.84 1.13 -1.26 -2.93 117.35 115.21 1rgr s TYR 63 Ca 0.00 -0.21 -0.06 0.00 -1.41 0.00 0.00 57.07 55.40 1rgr s TYR 63 Cb 0.00 -1.77 -0.04 0.00 -1.10 0.00 0.00 41.96 39.05 1rgr s TYR 63 CO 0.00 0.13 0.09 -1.21 -2.51 0.00 0.00 175.55 172.05 1rgr s GLU 64 N -0.34 3.41 -0.20 -3.49 2.02 0.02 -4.93 118.70 115.18 1rgr s GLU 64 Ca 0.04 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 54.74 1rgr s GLU 64 Cb -0.12 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1rgr s GLU 64 CO 0.02 0.68 0.02 -1.21 0.02 0.00 0.00 175.26 174.80 1rgr s GLU 65 N -0.78 3.71 -0.16 1.61 2.02 -1.26 -2.07 118.70 121.77 1rgr s GLU 65 Ca 0.13 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 1rgr s GLU 65 Cb -0.12 -3.14 0.07 0.00 0.10 0.00 0.00 34.13 31.04 1rgr s GLU 65 CO 0.03 0.05 0.13 0.96 0.02 0.00 0.00 175.26 176.45 1rgr s ILE 66 N 0.92 -0.17 -0.05 -1.63 -0.00 -0.46 -5.02 121.20 114.79 1rgr s ILE 66 Ca 0.02 -0.06 -0.25 0.00 -0.00 0.00 0.00 60.65 60.36 1rgr s ILE 66 Cb -0.14 -0.54 -0.03 0.00 -0.00 0.00 0.00 42.46 41.74 1rgr s ILE 66 CO 0.02 -0.18 0.78 -0.89 -0.00 0.00 0.00 174.94 174.67 1rgr s THR 67 N 2.21 4.99 -0.03 8.37 2.01 -1.26 -0.90 115.64 131.02 1rgr s THR 67 Ca 0.04 1.62 0.00 0.00 0.31 0.00 0.00 61.69 63.66 1rgr s THR 67 Cb -0.15 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1rgr s THR 67 CO -0.09 0.22 0.00 -0.22 -0.69 0.00 0.00 174.62 173.84 1rgr s LEU 68 N 0.90 1.04 0.10 4.42 0.20 0.27 -4.94 118.68 120.65 1rgr s LEU 68 Ca 0.42 -0.03 -0.31 0.00 0.69 0.00 0.00 54.13 54.90 1rgr s LEU 68 Cb -0.19 -0.24 -0.07 0.00 -0.43 0.00 0.00 46.19 45.26 1rgr s LEU 68 CO 0.21 -0.12 1.26 -1.61 -0.29 0.00 0.00 176.35 175.80 1rgr s GLU 69 N 1.19 4.40 -0.08 1.98 2.02 -1.26 -0.14 118.70 126.81 1rgr s GLU 69 Ca -0.07 1.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.50 1rgr s GLU 69 Cb -0.13 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1rgr s GLU 69 CO -0.02 -0.29 1.22 0.50 0.02 0.00 0.00 175.26 176.69 1rgr s ARG 70 N 0.90 4.32 0.73 1.61 3.52 -0.33 -4.71 118.95 124.99 1rgr s ARG 70 Ca 0.60 1.68 -0.14 0.00 -0.13 0.00 0.00 55.73 57.74 1rgr s ARG 70 Cb -0.32 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1rgr s ARG 70 CO 0.31 -0.52 1.16 0.20 -0.81 0.00 0.00 175.30 175.63 1rgr s GLY 71 N 1.63 2.16 0.04 8.12 0.00 -1.22 -4.76 107.32 113.29 1rgr s GLY 71 Ca 0.56 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.72 1rgr s GLY 71 CO 0.20 1.09 1.48 3.43 0.00 0.00 0.00 173.10 179.30 1rgr h ASN 72 N -0.45 -0.18 0.03 1.64 2.35 -1.99 -3.34 115.58 113.65 1rgr h ASN 72 Ca -0.47 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 1rgr h ASN 72 Cb 1.27 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1rgr h ASN 72 CO 0.50 0.06 -1.63 -1.20 -1.65 0.00 0.00 177.43 173.51 1rgr n SER 73 N -5.09 0.36 -3.65 5.81 7.64 -1.26 -4.95 113.62 112.48 1rgr n SER 73 Ca -0.09 -0.33 -0.06 0.00 1.01 0.00 0.00 58.87 59.40 1rgr n SER 73 Cb 0.18 1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 64.92 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 -3.99 -0.47 0.35 0.23 0.00 -1.25 -5.04 107.32 97.14 1rgr s GLY 74 Ca -0.02 1.74 0.04 0.00 0.00 0.00 0.00 44.72 46.47 1rgr s GLY 74 CO 0.89 2.60 1.91 -2.00 0.00 0.00 0.00 173.10 176.51 1rgr h LEU 75 N 8.12 0.53 0.00 0.66 6.46 -1.93 -3.05 115.31 126.10 1rgr h LEU 75 Ca -0.16 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1rgr h LEU 75 Cb 1.11 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1rgr h LEU 75 CO 0.12 0.54 0.00 0.61 -0.62 0.00 0.00 178.44 179.09 1rgr n GLY 76 N -1.01 0.93 3.46 3.75 0.00 -1.26 -2.12 105.19 108.94 1rgr n GLY 76 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1rgr n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgr s PHE 77 N -1.81 0.18 -0.07 1.61 0.08 -1.26 -2.03 117.98 114.67 1rgr s PHE 77 Ca 0.00 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 1rgr s PHE 77 Cb 0.00 0.18 0.03 0.00 -0.57 0.00 0.00 43.02 42.66 1rgr s PHE 77 CO 0.00 -0.86 -0.01 -1.12 -0.10 0.00 0.00 175.22 173.14 1rgr s SER 78 N -2.94 1.46 -0.05 1.36 0.01 0.68 -4.36 113.70 109.86 1rgr s SER 78 Ca 0.15 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1rgr s SER 78 Cb 0.01 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 1rgr s SER 78 CO 0.01 -0.17 0.51 0.27 0.41 0.00 0.00 173.24 174.27 1rgr s ILE 79 N 1.78 5.05 0.40 1.44 -4.36 -1.26 -2.52 121.20 121.73 1rgr s ILE 79 Ca 0.02 1.04 -0.03 0.00 -0.26 0.00 0.00 60.65 61.43 1rgr s ILE 79 Cb -0.13 -3.84 0.08 0.00 1.25 0.00 0.00 42.46 39.83 1rgr s ILE 79 CO -0.04 0.41 0.55 0.00 0.24 0.00 0.00 174.94 176.09 1rgr n ALA 80 N 2.98 -0.18 -2.76 2.27 0.00 0.30 -4.90 120.51 118.22 1rgr n ALA 80 Ca -0.08 -0.93 -0.23 0.00 0.00 0.00 0.00 53.44 52.19 1rgr n ALA 80 Cb 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.96 1.35 0.00 0.00 0.00 -1.26 -3.54 107.32 99.91 1rgr s GLY 81 Ca 0.34 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1rgr s GLY 81 CO 0.23 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.99 1rgr n GLY 82 N -1.57 3.76 0.36 0.20 0.00 -0.81 -4.15 105.19 102.98 1rgr n GLY 82 Ca -0.06 -2.09 0.16 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 0.17 0.65 0.00 2.61 1.35 -0.98 -0.60 112.91 116.12 1rgr h THR 83 Ca 0.00 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.58 1rgr h THR 83 Cb 0.00 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.35 1rgr h THR 83 CO 0.00 0.12 -0.27 -0.78 -0.25 0.00 0.00 175.52 174.34 1rgr h ASP 84 N 0.65 0.00 -2.19 5.36 3.58 -1.95 -3.39 116.42 118.48 1rgr h ASP 84 Ca 0.59 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.46 1rgr h ASP 84 Cb 1.06 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.72 1rgr h ASP 84 CO -0.37 0.27 -1.03 -3.20 -2.88 0.00 0.00 179.24 172.02 1rgr n ASN 85 N -3.34 -0.04 -4.36 2.28 5.15 -0.36 -5.10 115.26 109.49 1rgr n ASN 85 Ca 0.01 -2.56 -0.37 0.00 -0.60 0.00 0.00 54.58 51.06 1rgr n ASN 85 Cb 0.50 -0.60 -0.13 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.62 3.18 -0.17 1.20 0.04 -0.45 -1.93 135.00 136.26 1rgr s PRO 86 Ca 0.34 -0.80 -0.03 0.00 0.04 0.00 0.00 61.00 60.55 1rgr s PRO 86 Cb 0.10 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1rgr s PRO 86 CO -0.15 -0.41 -0.18 1.58 0.04 0.00 0.00 177.00 177.89 1rgr n HIS 87 N 4.88 0.00 -4.28 0.56 -0.00 -1.22 -4.82 115.22 110.33 1rgr n HIS 87 Ca -0.15 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.68 1rgr n HIS 87 Cb 0.48 -0.63 -0.09 0.00 -0.12 0.00 0.00 29.99 29.64 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 -2.32 4.48 0.00 3.57 1.09 -1.24 -4.55 121.20 122.23 1rgr s ILE 88 Ca -0.23 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 1rgr s ILE 88 Cb 0.07 -2.92 0.00 0.00 -1.06 0.00 0.00 42.46 38.55 1rgr s ILE 88 CO 0.35 0.56 0.00 0.61 -0.10 0.00 0.00 174.94 176.36 1rgr n GLY 89 N 1.96 1.78 0.01 6.18 0.00 -1.26 -1.68 105.19 112.18 1rgr n GLY 89 Ca -0.18 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 10.35 0.05 0.00 1.61 2.03 -1.26 -5.02 116.55 124.31 1rgr n ASP 90 Ca 0.00 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1rgr n ASP 90 Cb 0.00 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 -1.20 0.00 -4.40 1.67 8.00 -0.68 -4.99 116.55 114.96 1rgr n ASP 91 Ca 0.16 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.21 1rgr n ASP 91 Cb 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1rgr s PRO 92 N 0.00 3.66 -0.25 -0.24 0.04 -1.26 -3.42 135.00 133.53 1rgr s PRO 92 Ca 0.00 -2.15 -0.23 0.00 0.04 0.00 0.00 61.00 58.65 1rgr s PRO 92 Cb 0.00 -4.72 0.07 0.00 0.04 0.00 0.00 34.50 29.89 1rgr s PRO 92 CO 0.00 -1.56 0.67 -1.12 0.04 0.00 0.00 177.00 175.03 1rgr s SER 93 N 2.90 -0.70 -0.01 6.66 0.01 -1.25 -4.35 113.70 116.96 1rgr s SER 93 Ca 0.27 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 58.59 1rgr s SER 93 Cb -0.07 1.35 -0.03 0.00 0.21 0.00 0.00 66.02 67.48 1rgr s SER 93 CO -0.09 -0.24 0.92 -0.63 0.41 0.00 0.00 173.24 173.61 1rgr s ILE 94 N 0.33 4.90 0.13 1.44 -1.09 -1.13 -4.33 121.20 121.45 1rgr s ILE 94 Ca -0.00 1.92 0.11 0.00 -2.23 0.00 0.00 60.65 60.45 1rgr s ILE 94 Cb -0.05 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1rgr s ILE 94 CO 0.01 0.18 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.29 1rgr s PHE 95 N 0.95 2.35 -0.31 3.97 0.40 -1.23 -2.33 117.98 121.77 1rgr s PHE 95 Ca 0.49 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 1rgr s PHE 95 Cb -0.20 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.06 1rgr s PHE 95 CO 0.26 0.34 0.13 0.42 0.70 0.00 0.00 175.22 177.07 1rgr s ILE 96 N -1.07 4.32 -1.70 0.64 1.01 -1.07 -0.54 121.20 122.80 1rgr s ILE 96 Ca 0.15 -0.60 0.23 0.00 0.00 0.00 0.00 60.65 60.42 1rgr s ILE 96 Cb -0.10 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1rgr s ILE 96 CO 0.07 0.03 1.09 1.07 0.00 0.00 0.00 174.94 177.20 1rgr n THR 97 N 4.93 0.00 -3.92 2.92 5.66 -1.11 -0.59 114.28 122.17 1rgr n THR 97 Ca -0.14 -0.17 -0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1rgr n THR 97 Cb 0.48 1.07 -0.11 0.00 -1.55 0.00 0.00 70.33 70.22 1rgr n THR 97 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1rgr s LYS 98 N -2.64 0.30 -0.20 1.09 2.20 -1.05 -4.92 119.74 114.52 1rgr s LYS 98 Ca 0.16 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1rgr s LYS 98 Cb 0.18 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 1rgr s LYS 98 CO 0.65 -0.06 -0.01 0.42 -0.36 0.00 0.00 175.35 175.99 1rgr s ILE 99 N -1.07 3.81 -0.11 5.43 1.01 -1.26 -0.23 121.20 128.78 1rgr s ILE 99 Ca -0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1rgr s ILE 99 Cb -0.07 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 1rgr s ILE 99 CO 0.00 0.42 1.74 -0.63 0.00 0.00 0.00 174.94 176.47 1rgr s ILE 100 N 1.12 3.49 0.37 2.92 1.09 -0.86 -4.83 121.20 124.49 1rgr s ILE 100 Ca 0.02 0.57 -0.27 0.00 -1.10 0.00 0.00 60.65 59.88 1rgr s ILE 100 Cb -0.14 -3.43 -0.09 0.00 -1.06 0.00 0.00 42.46 37.73 1rgr s ILE 100 CO 0.01 -0.12 1.22 -2.84 -0.10 0.00 0.00 174.94 173.10 1rgr s PRO 101 N 4.52 4.19 0.00 2.79 0.02 -1.26 -2.68 135.00 142.58 1rgr s PRO 101 Ca 0.77 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1rgr s PRO 101 Cb -0.32 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1rgr s PRO 101 CO 0.32 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 1rgr n GLY 102 N 0.76 1.50 0.64 0.52 0.00 -1.26 -5.02 105.19 102.32 1rgr n GLY 102 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.62 0.25 -0.02 0.00 -1.09 -4.99 105.19 96.71 1rgr n GLY 103 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.53 0.58 0.00 4.61 0.00 -1.31 -3.27 119.26 118.34 1rgr h ALA 104 Ca -0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1rgr h ALA 104 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rgr h ALA 104 CO 0.05 0.49 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 1rgr h ALA 105 N 0.84 1.24 -0.38 0.00 0.00 -1.68 0.03 119.26 119.32 1rgr h ALA 105 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rgr h ALA 105 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1rgr h ALA 105 CO 0.05 0.30 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1rgr h ALA 106 N 1.76 0.48 0.17 0.00 0.00 -1.80 -1.70 119.26 118.17 1rgr h ALA 106 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rgr h ALA 106 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rgr h ALA 106 CO 0.03 -0.02 -0.08 0.37 0.00 0.00 0.00 179.25 179.55 1rgr h GLN 107 N 0.49 -0.22 -0.64 0.00 4.15 -1.59 -3.37 115.11 113.93 1rgr h GLN 107 Ca 0.13 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1rgr h GLN 107 Cb 0.01 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1rgr h GLN 107 CO -0.02 0.17 0.42 0.22 -1.93 0.00 0.00 178.83 177.69 1rgr h ASP 108 N -0.91 0.74 -5.42 -0.69 1.82 -1.12 -3.48 116.42 107.37 1rgr h ASP 108 Ca -0.02 -0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.51 1rgr h ASP 108 Cb 0.50 -0.19 0.06 0.00 0.68 0.00 0.00 39.33 40.39 1rgr h ASP 108 CO 0.04 0.54 -0.29 0.61 -1.61 0.00 0.00 179.24 178.54 1rgr n GLY 109 N -1.26 -1.22 0.08 -0.78 0.00 -0.64 -4.98 105.19 96.39 1rgr n GLY 109 Ca 0.05 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1rgr n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgr n ARG 110 N -2.25 0.67 -0.58 1.61 5.12 -1.26 -5.09 116.66 114.88 1rgr n ARG 110 Ca -0.03 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1rgr n ARG 110 Cb 0.54 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1rgr n LEU 111 N -2.92 0.00 0.00 0.55 -0.00 -1.26 -5.02 117.00 108.35 1rgr n LEU 111 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 1rgr n LEU 111 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.27 1rgr n LEU 111 CO 0.19 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.12 1rgr n ARG 112 N 0.00 2.90 -0.08 1.47 5.12 -1.26 -4.95 116.66 119.86 1rgr n ARG 112 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1rgr n ARG 112 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1rgr n ARG 112 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1rgr n VAL 113 N 0.00 -0.13 0.00 1.55 0.24 -1.26 -4.94 118.33 113.79 1rgr n VAL 113 Ca 0.00 1.50 0.00 0.00 -2.04 0.00 0.00 64.34 63.80 1rgr n VAL 113 Cb 0.00 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 1rgr n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1rgr n ASN 114 N -3.35 0.00 0.00 -1.34 2.85 -1.19 -4.80 115.26 107.43 1rgr n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1rgr n ASN 114 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1rgr n ASP 115 N 0.00 0.00 -3.96 1.20 2.03 0.24 -4.03 116.55 112.03 1rgr n ASP 115 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1rgr n ASP 115 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1rgr n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rgr n SER 116 N 8.62 6.40 -4.68 1.67 7.64 -1.26 -2.58 113.62 129.41 1rgr n SER 116 Ca 0.00 -3.44 -0.42 0.00 1.01 0.00 0.00 58.87 56.02 1rgr n SER 116 Cb 0.00 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 61.93 1rgr n SER 116 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1rgr s ILE 117 N -2.90 3.42 -0.04 0.44 2.07 -0.98 -2.68 121.20 120.53 1rgr s ILE 117 Ca 0.32 0.79 -0.01 0.00 -1.41 0.00 0.00 60.65 60.33 1rgr s ILE 117 Cb 0.06 -3.51 -0.02 0.00 0.13 0.00 0.00 42.46 39.13 1rgr s ILE 117 CO 0.09 -0.01 -0.04 0.18 -1.91 0.00 0.00 174.94 173.24 1rgr n LEU 118 N 5.78 1.02 -4.33 8.50 4.32 -0.59 -4.04 117.00 127.66 1rgr n LEU 118 Ca 0.15 0.03 -0.31 0.00 -0.02 0.00 0.00 56.01 55.86 1rgr n LEU 118 Cb 0.42 -0.12 -0.16 0.00 -1.62 0.00 0.00 43.42 41.95 1rgr n LEU 118 CO 0.61 0.21 -0.56 -0.36 -1.22 0.00 0.00 177.39 176.07 1rgr s PHE 119 N -2.07 2.35 -0.21 -1.77 0.08 -1.24 -2.06 117.98 113.06 1rgr s PHE 119 Ca -0.05 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 1rgr s PHE 119 Cb 0.02 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 1rgr s PHE 119 CO 0.07 0.01 -0.02 0.08 -0.10 0.00 0.00 175.22 175.27 1rgr s VAL 120 N -0.66 1.06 0.00 -0.44 1.01 -0.89 -1.61 120.40 118.87 1rgr s VAL 120 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1rgr s VAL 120 Cb -0.10 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1rgr s VAL 120 CO -0.00 -0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.57 1rgr n ASN 121 N 4.85 0.00 0.00 3.32 3.02 0.34 -2.02 115.26 124.78 1rgr n ASN 121 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1rgr n ASN 121 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.26 -1.89 3.52 4.07 -1.26 -4.91 120.64 121.43 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1rgr n GLU 122 Cb 0.00 -0.10 -0.01 0.00 -0.06 0.00 0.00 31.44 31.26 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1rgr s VAL 123 N 0.00 2.30 -0.62 6.31 1.01 -0.85 -4.99 120.40 123.56 1rgr s VAL 123 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1rgr s VAL 123 Cb 0.00 -3.17 0.16 0.00 0.00 0.00 0.00 36.38 33.36 1rgr s VAL 123 CO 0.00 0.05 0.56 1.51 0.00 0.00 0.00 175.10 177.22 1rgr s ASP 124 N 0.18 6.29 0.00 3.32 -4.77 -1.26 -2.11 116.67 118.32 1rgr s ASP 124 Ca 0.58 -2.09 0.00 0.00 -3.30 0.00 0.00 52.55 47.74 1rgr s ASP 124 Cb -0.45 -2.18 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 1rgr s ASP 124 CO 0.51 -0.75 0.00 1.33 0.70 0.00 0.00 175.17 176.96 1rgr n VAL 125 N 4.81 0.00 0.00 2.11 0.24 -0.87 -4.92 118.33 119.70 1rgr n VAL 125 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1rgr n VAL 125 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.66 7.34 1.85 -1.14 -3.73 116.66 119.33 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 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 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 2.77 -4.03 2.89 1.02 -1.26 -2.86 120.64 119.16 1rgr n GLU 127 Ca 0.00 -2.51 -0.10 0.00 -0.02 0.00 0.00 57.16 54.53 1rgr n GLU 127 Cb 0.00 -3.23 -0.07 0.00 -0.02 0.00 0.00 31.44 28.12 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rgr s VAL 128 N 3.31 0.02 0.27 2.62 0.11 -1.24 -4.95 120.40 120.53 1rgr s VAL 128 Ca 0.49 -1.54 -0.31 0.00 -2.93 0.00 0.00 61.98 57.69 1rgr s VAL 128 Cb 0.14 -2.16 -0.11 0.00 -1.53 0.00 0.00 36.38 32.71 1rgr s VAL 128 CO -0.07 -0.09 1.62 -0.89 -3.33 0.00 0.00 175.10 172.34 1rgr s THR 129 N -4.04 2.09 0.47 5.04 2.01 -1.26 -0.38 115.64 119.56 1rgr s THR 129 Ca 0.25 0.07 0.30 0.00 0.31 0.00 0.00 61.69 62.62 1rgr s THR 129 Cb 0.02 -3.05 0.50 0.00 0.01 0.00 0.00 72.50 69.98 1rgr s THR 129 CO 0.07 0.01 1.72 1.12 -0.69 0.00 0.00 174.62 176.85 1rgr h HIS 130 N 5.41 0.37 -0.79 4.92 2.07 -1.90 -1.94 115.15 123.29 1rgr h HIS 130 Ca -0.46 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 1rgr h HIS 130 Cb 1.21 -0.10 -0.04 0.00 2.57 0.00 0.00 27.41 31.05 1rgr h HIS 130 CO 0.60 -0.04 0.47 0.77 -3.07 0.00 0.00 177.93 176.67 1rgr h SER 131 N 0.16 0.95 0.25 3.10 0.02 -1.96 0.12 113.55 116.19 1rgr h SER 131 Ca 0.68 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.44 1rgr h SER 131 Cb 2.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.51 1rgr h SER 131 CO -0.22 0.73 -0.52 0.00 -1.14 0.00 0.00 176.83 175.68 1rgr h ALA 132 N 1.43 0.91 -0.06 3.77 0.00 -1.74 -1.26 119.26 122.31 1rgr h ALA 132 Ca 0.28 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1rgr h ALA 132 Cb -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rgr h ALA 132 CO -0.05 0.68 -0.59 0.00 0.00 0.00 0.00 179.25 179.28 1rgr h ALA 133 N 1.21 0.15 -0.82 0.00 0.00 -1.44 0.59 119.26 118.96 1rgr h ALA 133 Ca 0.01 -0.55 0.09 0.00 0.00 0.00 0.00 54.91 54.45 1rgr h ALA 133 Cb 1.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1rgr h ALA 133 CO 0.08 0.41 0.47 -0.24 0.00 0.00 0.00 179.25 179.97 1rgr h VAL 134 N 0.08 0.94 -0.36 0.00 3.04 -0.89 -1.68 116.25 117.37 1rgr h VAL 134 Ca -0.06 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1rgr h VAL 134 Cb 1.26 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 1rgr h VAL 134 CO 0.12 0.15 0.23 -0.08 -1.01 0.00 0.00 177.57 176.97 1rgr h GLU 135 N 0.82 0.48 -0.17 4.17 4.57 -1.22 -2.65 114.58 120.58 1rgr h GLU 135 Ca 0.38 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1rgr h GLU 135 Cb 0.31 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1rgr h GLU 135 CO -0.23 0.34 0.11 0.00 -1.18 0.00 0.00 179.01 178.05 1rgr h ALA 136 N 1.11 1.88 -0.25 2.92 0.00 -0.69 0.40 119.26 124.62 1rgr h ALA 136 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rgr h ALA 136 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rgr h ALA 136 CO -0.03 0.11 0.13 -0.07 0.00 0.00 0.00 179.25 179.40 1rgr h LEU 137 N 0.23 0.20 -0.36 0.00 3.38 -1.22 -1.04 115.31 116.49 1rgr h LEU 137 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1rgr h LEU 137 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rgr h LEU 137 CO -0.01 0.15 0.06 0.11 0.09 0.00 0.00 178.44 178.83 1rgr h LYS 138 N 0.27 0.59 0.00 1.13 1.57 -1.06 -3.24 116.57 115.84 1rgr h LYS 138 Ca 0.10 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1rgr h LYS 138 Cb 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1rgr h LYS 138 CO -0.07 0.66 0.00 1.49 -0.57 0.00 0.00 179.45 180.96 1rgr h GLU 139 N 0.43 0.00 -0.01 3.15 4.81 -0.23 -2.56 114.58 120.17 1rgr h GLU 139 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1rgr h GLU 139 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1rgr h GLU 139 CO 0.01 0.00 0.33 0.00 -0.73 0.00 0.00 179.01 178.61 1rgr h ALA 140 N 2.05 1.35 0.00 2.92 0.00 -1.21 -3.49 119.26 120.88 1rgr h ALA 140 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rgr h ALA 140 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rgr h ALA 140 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1rgr n GLY 141 N -1.22 1.01 0.56 0.00 0.00 -0.97 -3.36 105.19 101.21 1rgr n GLY 141 Ca -0.02 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 3.34 1.72 -3.40 1.61 7.64 -1.26 -4.72 113.62 118.55 1rgr n SER 142 Ca 0.00 -1.62 -0.11 0.00 1.01 0.00 0.00 58.87 58.15 1rgr n SER 142 Cb 0.00 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.91 -0.55 -0.32 0.44 -0.00 -1.21 -1.19 121.20 116.46 1rgr s ILE 143 Ca 0.36 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.65 60.84 1rgr s ILE 143 Cb 0.20 -0.77 -0.01 0.00 -0.00 0.00 0.00 42.46 41.87 1rgr s ILE 143 CO 0.31 -0.12 0.18 -0.69 -0.00 0.00 0.00 174.94 174.61 1rgr s VAL 144 N 2.51 4.83 -0.55 8.37 1.01 0.81 -4.75 120.40 132.61 1rgr s VAL 144 Ca 0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1rgr s VAL 144 Cb -0.15 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 32.88 1rgr s VAL 144 CO -0.15 0.06 0.60 -0.13 0.00 0.00 0.00 175.10 175.48 1rgr s ARG 145 N 1.65 3.03 -0.07 2.72 0.52 -1.26 -0.57 118.95 124.97 1rgr s ARG 145 Ca 0.05 -1.39 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 1rgr s ARG 145 Cb -0.17 -4.24 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 1rgr s ARG 145 CO 0.08 -1.38 0.31 -0.51 0.02 0.00 0.00 175.30 173.82 1rgr s LEU 146 N 2.22 4.39 -0.10 2.53 1.43 -0.08 -0.50 118.68 128.57 1rgr s LEU 146 Ca 0.08 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1rgr s LEU 146 Cb -0.25 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1rgr s LEU 146 CO 0.06 0.29 -0.16 -0.31 0.23 0.00 0.00 176.35 176.46 1rgr s TYR 147 N -0.65 1.97 -0.09 0.29 1.51 -0.63 -1.36 117.35 118.39 1rgr s TYR 147 Ca 0.20 -0.90 -0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1rgr s TYR 147 Cb -0.14 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1rgr s TYR 147 CO 0.08 -0.46 -0.06 0.54 -1.11 0.00 0.00 175.55 174.55 1rgr s VAL 148 N 0.92 0.85 -0.16 0.71 0.11 -0.88 -1.54 120.40 120.40 1rgr s VAL 148 Ca -0.08 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1rgr s VAL 148 Cb -0.15 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1rgr s VAL 148 CO -0.00 0.33 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.66 1rgr s MET 149 N 1.56 3.33 -0.34 1.54 0.00 -1.09 -0.80 119.30 123.49 1rgr s MET 149 Ca 0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 55.69 54.84 1rgr s MET 149 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 34.83 31.96 1rgr s MET 149 CO -0.05 0.03 0.47 1.03 0.00 0.00 0.00 175.02 176.51 1rgr s ARG 150 N 0.81 3.64 0.73 4.11 0.52 -1.15 -4.64 118.95 122.98 1rgr s ARG 150 Ca -0.04 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 1rgr s ARG 150 Cb -0.15 -3.80 0.01 0.00 0.52 0.00 0.00 34.95 31.53 1rgr s ARG 150 CO 0.01 -0.59 0.92 2.89 0.02 0.00 0.00 175.30 178.55 1rgr n ARG 151 N 5.64 0.45 -2.39 3.54 0.00 -1.26 -4.36 116.66 118.29 1rgr n ARG 151 Ca -0.06 0.21 -0.42 0.00 -0.00 0.00 0.00 57.85 57.58 1rgr n ARG 151 Cb 0.49 -2.18 -0.03 0.00 -0.00 0.00 0.00 32.46 30.74 1rgr n ARG 151 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1rgr s LYS 152 N -3.31 4.30 -0.12 2.89 3.01 -1.26 -4.96 119.74 120.29 1rgr s LYS 152 Ca 0.72 1.74 -0.35 0.00 -1.01 0.00 0.00 55.97 57.07 1rgr s LYS 152 Cb -0.34 -3.63 -0.13 0.00 -1.01 0.00 0.00 37.83 32.72 1rgr s LYS 152 CO 0.51 -0.55 1.84 -0.35 0.51 0.00 0.00 175.35 177.31 1rgr n PRO 153 N 5.67 1.96 0.00 -1.68 -0.04 -1.26 -5.21 135.00 134.44 1rgr n PRO 153 Ca 0.12 0.72 0.04 0.00 -0.04 0.00 0.00 63.50 64.34 1rgr n PRO 153 Cb 0.45 -2.53 0.25 0.00 -0.04 0.00 0.00 33.50 31.63 1rgr n PRO 153 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16