#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 2.12 -0.06 -0.32 1.13 -1.26 -3.24 117.35 115.72 1rgr s TYR 63 Ca 0.00 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.31 1rgr s TYR 63 Cb 0.00 -1.35 -0.00 0.00 -1.10 0.00 0.00 41.96 39.50 1rgr s TYR 63 CO 0.00 -0.01 -0.22 -1.21 -2.51 0.00 0.00 175.55 171.60 1rgr s GLU 64 N -0.67 2.42 -0.29 -3.49 8.01 -0.09 -4.92 118.70 119.66 1rgr s GLU 64 Ca 0.09 -0.79 -0.09 0.00 0.01 0.00 0.00 54.97 54.19 1rgr s GLU 64 Cb -0.09 -1.99 -0.01 0.00 -4.31 0.00 0.00 34.13 27.72 1rgr s GLU 64 CO -0.00 0.28 0.12 -1.21 0.01 0.00 0.00 175.26 174.46 1rgr s GLU 65 N 0.06 3.44 -0.12 1.61 8.01 -1.26 -1.41 118.70 129.03 1rgr s GLU 65 Ca -0.08 -0.64 -0.03 0.00 0.01 0.00 0.00 54.97 54.24 1rgr s GLU 65 Cb -0.14 -3.48 0.04 0.00 -4.31 0.00 0.00 34.13 26.24 1rgr s GLU 65 CO 0.05 -0.34 0.04 0.96 0.01 0.00 0.00 175.26 175.98 1rgr s ILE 66 N 1.61 0.22 -0.14 -1.63 -4.36 -0.08 -5.02 121.20 111.79 1rgr s ILE 66 Ca 0.05 -0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.23 1rgr s ILE 66 Cb -0.16 -0.60 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 1rgr s ILE 66 CO 0.05 0.00 0.35 -0.89 0.24 0.00 0.00 174.94 174.70 1rgr s THR 67 N 2.02 5.27 0.26 8.37 2.01 -1.26 -1.08 115.64 131.23 1rgr s THR 67 Ca 0.03 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.75 1rgr s THR 67 Cb -0.14 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1rgr s THR 67 CO -0.06 0.37 0.01 -0.22 -0.69 0.00 0.00 174.62 174.03 1rgr s LEU 68 N 0.49 2.20 -0.22 4.42 0.20 -0.51 -5.00 118.68 120.26 1rgr s LEU 68 Ca 0.20 -1.26 -0.24 0.00 0.69 0.00 0.00 54.13 53.51 1rgr s LEU 68 Cb -0.14 -0.34 -0.01 0.00 -0.43 0.00 0.00 46.19 45.27 1rgr s LEU 68 CO 0.06 -0.52 0.80 -1.61 -0.29 0.00 0.00 176.35 174.79 1rgr s GLU 69 N -3.86 4.22 -0.51 1.98 0.41 -1.26 -0.50 118.70 119.17 1rgr s GLU 69 Ca 0.31 0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 55.51 1rgr s GLU 69 Cb 0.06 -3.62 0.02 0.00 -1.78 0.00 0.00 34.13 28.82 1rgr s GLU 69 CO 0.11 -0.43 1.26 0.50 -0.49 0.00 0.00 175.26 176.21 1rgr s ARG 70 N 2.54 3.55 0.21 1.61 3.00 -0.61 -4.80 118.95 124.45 1rgr s ARG 70 Ca 0.35 0.52 -0.30 0.00 -1.00 0.00 0.00 55.73 55.30 1rgr s ARG 70 Cb -0.16 -4.00 -0.09 0.00 0.00 0.00 0.00 34.95 30.70 1rgr s ARG 70 CO 0.09 -1.62 1.31 0.20 0.00 0.00 0.00 175.30 175.28 1rgr s GLY 71 N 3.28 2.48 0.15 8.12 0.00 -1.24 -3.72 107.32 116.39 1rgr s GLY 71 Ca 0.50 1.12 -0.23 0.00 0.00 0.00 0.00 44.72 46.10 1rgr s GLY 71 CO 0.29 2.06 1.61 3.43 0.00 0.00 0.00 173.10 180.49 1rgr h ASN 72 N 5.27 -0.95 1.50 1.64 4.21 -1.96 -2.26 115.58 123.03 1rgr h ASN 72 Ca -0.45 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.22 1rgr h ASN 72 Cb 1.21 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.85 1rgr h ASN 72 CO 0.77 -0.32 -0.44 0.28 -1.29 0.00 0.00 177.43 176.43 1rgr h SER 73 N -0.29 0.00 -2.44 5.81 0.02 -2.01 -3.48 113.55 111.16 1rgr h SER 73 Ca 0.14 -0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.23 1rgr h SER 73 Cb 0.51 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.75 1rgr h SER 73 CO -0.44 0.01 0.66 -0.83 -1.14 0.00 0.00 176.83 175.09 1rgr s GLY 74 N -4.20 0.24 -0.05 -3.77 0.00 -0.85 -5.10 107.32 93.59 1rgr s GLY 74 Ca 0.04 3.33 -0.08 0.00 0.00 0.00 0.00 44.72 48.01 1rgr s GLY 74 CO 0.72 2.22 0.39 1.41 0.00 0.00 0.00 173.10 177.84 1rgr h LEU 75 N 4.36 -0.25 0.00 0.66 4.07 -1.88 -3.28 115.31 118.99 1rgr h LEU 75 Ca -0.27 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1rgr h LEU 75 Cb 1.18 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1rgr h LEU 75 CO 0.18 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.27 1rgr n GLY 76 N 0.92 0.34 3.37 0.83 0.00 -1.26 -2.41 105.19 106.98 1rgr n GLY 76 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.34 1.72 0.00 1.61 0.08 -1.26 -0.81 117.98 118.98 1rgr s PHE 77 Ca 0.00 -0.86 0.04 0.00 0.12 0.00 0.00 56.93 56.22 1rgr s PHE 77 Cb 0.00 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1rgr s PHE 77 CO 0.00 0.06 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.97 1rgr s SER 78 N -3.36 4.46 -0.17 1.36 0.01 0.14 -4.62 113.70 111.51 1rgr s SER 78 Ca 0.30 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.32 1rgr s SER 78 Cb 0.05 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 1rgr s SER 78 CO 0.10 0.28 -0.00 0.27 0.41 0.00 0.00 173.24 174.30 1rgr s ILE 79 N -0.96 4.14 0.00 1.44 -5.25 -1.26 -1.82 121.20 117.49 1rgr s ILE 79 Ca 0.16 -0.27 0.00 0.00 -0.99 0.00 0.00 60.65 59.56 1rgr s ILE 79 Cb -0.11 -2.84 0.00 0.00 2.95 0.00 0.00 42.46 42.46 1rgr s ILE 79 CO 0.07 0.47 0.00 0.00 -1.79 0.00 0.00 174.94 173.69 1rgr n ALA 80 N 3.67 0.00 -2.66 2.27 0.00 -0.09 -4.84 120.51 118.86 1rgr n ALA 80 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 1rgr n ALA 80 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.12 1.54 0.00 0.00 0.00 -1.26 -3.77 107.32 101.71 1rgr s GLY 81 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1rgr s GLY 81 CO 0.00 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 172.95 1rgr n GLY 82 N -1.38 3.03 0.35 0.20 0.00 -0.46 -4.06 105.19 102.87 1rgr n GLY 82 Ca -0.04 -2.08 0.13 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 0.09 0.70 -0.01 2.61 1.35 -1.27 -2.14 112.91 114.25 1rgr h THR 83 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1rgr h THR 83 Cb 0.00 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.30 1rgr h THR 83 CO 0.00 0.14 -0.23 0.47 -0.25 0.00 0.00 175.52 175.65 1rgr n ASP 84 N -4.77 0.75 -3.16 5.36 9.92 -1.26 -4.54 116.55 118.83 1rgr n ASP 84 Ca 0.23 -0.66 -0.16 0.00 -0.53 0.00 0.00 54.79 53.68 1rgr n ASP 84 Cb 0.57 0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 41.06 1rgr n ASP 84 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1rgr s ASN 85 N -2.57 0.27 -0.18 -2.24 2.47 -0.88 -5.08 114.94 106.73 1rgr s ASN 85 Ca 0.24 -2.17 -0.06 0.00 0.42 0.00 0.00 52.86 51.29 1rgr s ASN 85 Cb 0.19 0.69 -0.03 0.00 -1.45 0.00 0.00 41.25 40.65 1rgr s ASN 85 CO 0.53 -0.15 0.01 -2.16 -3.72 0.00 0.00 177.10 171.61 1rgr s PRO 86 N 0.73 3.78 -0.12 0.43 0.04 -0.86 -1.35 135.00 137.66 1rgr s PRO 86 Ca 0.27 -0.45 -0.10 0.00 0.04 0.00 0.00 61.00 60.76 1rgr s PRO 86 Cb -0.03 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1rgr s PRO 86 CO -0.10 0.19 -0.22 1.58 0.04 0.00 0.00 177.00 178.50 1rgr n HIS 87 N 3.73 0.00 -3.34 0.56 -0.00 -1.26 -5.02 115.22 109.88 1rgr n HIS 87 Ca -0.17 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.79 1rgr n HIS 87 Cb 0.52 -0.45 0.03 0.00 -0.12 0.00 0.00 29.99 29.98 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 -2.45 2.02 0.00 3.57 -0.00 -1.26 -5.05 121.20 118.04 1rgr s ILE 88 Ca -0.21 -1.18 0.00 0.00 -0.00 0.00 0.00 60.65 59.27 1rgr s ILE 88 Cb 0.06 -2.20 0.00 0.00 -0.00 0.00 0.00 42.46 40.31 1rgr s ILE 88 CO 0.28 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.83 1rgr n GLY 89 N -2.05 -3.00 0.00 6.27 0.00 -1.26 -4.31 105.19 100.84 1rgr n GLY 89 Ca 0.09 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1rgr n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rgr n ASP 90 N -0.05 0.00 0.00 1.61 8.00 -1.26 -4.87 116.55 119.98 1rgr n ASP 90 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1rgr n ASP 90 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rgr n ASP 91 N -1.41 0.00 0.00 -2.24 2.03 -1.26 -5.15 116.55 108.52 1rgr n ASP 91 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1rgr n ASP 91 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1rgr n ASP 91 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1rgr n PRO 92 N 0.00 0.00 -1.25 -0.67 -0.04 -1.26 -4.73 135.00 127.04 1rgr n PRO 92 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1rgr n PRO 92 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1rgr n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rgr n SER 93 N 0.00 -3.49 -4.71 3.54 7.64 -1.19 -4.21 113.62 111.20 1rgr n SER 93 Ca 0.00 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 1rgr n SER 93 Cb 0.00 -1.83 -0.03 0.00 -1.01 0.00 0.00 64.21 61.34 1rgr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rgr s ILE 94 N -0.12 3.92 0.18 0.44 -1.09 -1.12 -4.60 121.20 118.81 1rgr s ILE 94 Ca 0.00 1.37 0.11 0.00 -2.23 0.00 0.00 60.65 59.90 1rgr s ILE 94 Cb 0.00 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1rgr s ILE 94 CO 0.00 0.10 -0.22 0.12 -1.23 0.00 0.00 174.94 173.70 1rgr s PHE 95 N 1.19 2.35 -0.46 3.97 5.36 -1.25 -1.48 117.98 127.65 1rgr s PHE 95 Ca 0.60 -0.34 -0.16 0.00 -0.96 0.00 0.00 56.93 56.06 1rgr s PHE 95 Cb -0.30 -1.18 0.06 0.00 -0.34 0.00 0.00 43.02 41.25 1rgr s PHE 95 CO 0.29 0.48 0.43 0.42 -1.46 0.00 0.00 175.22 175.38 1rgr s ILE 96 N -1.58 5.15 -0.23 3.12 -1.09 -0.76 -0.92 121.20 124.89 1rgr s ILE 96 Ca 0.20 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.64 1rgr s ILE 96 Cb -0.08 -4.12 -0.17 0.00 -1.58 0.00 0.00 42.46 36.51 1rgr s ILE 96 CO 0.10 -0.57 0.01 1.07 -1.23 0.00 0.00 174.94 174.33 1rgr n THR 97 N 5.31 1.54 -4.27 2.92 5.66 -0.75 -1.53 114.28 123.16 1rgr n THR 97 Ca -0.10 -0.16 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 1rgr n THR 97 Cb 0.45 -1.98 -0.15 0.00 -1.55 0.00 0.00 70.33 67.10 1rgr n THR 97 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1rgr s LYS 98 N -2.42 0.74 0.21 1.09 -2.85 -1.24 -4.66 119.74 110.61 1rgr s LYS 98 Ca -0.32 -0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 1rgr s LYS 98 Cb 0.09 -0.72 -0.08 0.00 -2.06 0.00 0.00 37.83 35.06 1rgr s LYS 98 CO 0.56 0.08 0.96 -1.50 0.10 0.00 0.00 175.35 175.55 1rgr s ILE 99 N 0.21 4.14 -0.25 3.79 1.10 -1.26 0.25 121.20 129.19 1rgr s ILE 99 Ca -0.03 2.03 -0.29 0.00 -0.51 0.00 0.00 60.65 61.85 1rgr s ILE 99 Cb -0.07 -4.29 -0.01 0.00 0.15 0.00 0.00 42.46 38.23 1rgr s ILE 99 CO 0.00 0.43 1.44 -0.63 -2.11 0.00 0.00 174.94 174.08 1rgr s ILE 100 N -0.83 3.94 0.34 2.00 1.09 0.01 -4.86 121.20 122.90 1rgr s ILE 100 Ca 0.43 1.08 -0.28 0.00 -1.10 0.00 0.00 60.65 60.78 1rgr s ILE 100 Cb -0.26 -3.93 -0.10 0.00 -1.06 0.00 0.00 42.46 37.12 1rgr s ILE 100 CO 0.32 -0.36 1.25 -2.84 -0.10 0.00 0.00 174.94 173.21 1rgr s PRO 101 N 4.32 4.31 0.00 2.79 0.02 -1.26 -3.20 135.00 141.98 1rgr s PRO 101 Ca 0.63 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1rgr s PRO 101 Cb -0.21 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1rgr s PRO 101 CO 0.25 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1rgr n GLY 102 N 0.83 0.41 0.00 0.52 0.00 -1.26 -5.04 105.19 100.64 1rgr n GLY 102 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.74 1.79 0.25 -0.02 0.00 -1.19 -4.94 105.19 99.34 1rgr n GLY 103 Ca 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.22 1.78 -0.39 4.61 0.00 -1.78 -2.56 119.26 120.70 1rgr h ALA 104 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1rgr h ALA 104 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rgr h ALA 104 CO 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 179.25 179.12 1rgr h ALA 105 N 1.85 0.56 -0.61 0.00 0.00 -1.73 -2.10 119.26 117.24 1rgr h ALA 105 Ca 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1rgr h ALA 105 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1rgr h ALA 105 CO 0.01 0.60 0.15 0.00 0.00 0.00 0.00 179.25 180.01 1rgr h ALA 106 N 0.79 0.80 0.10 0.00 0.00 -1.74 -0.15 119.26 119.05 1rgr h ALA 106 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rgr h ALA 106 Cb 0.88 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rgr h ALA 106 CO 0.08 0.50 -0.05 -0.56 0.00 0.00 0.00 179.25 179.22 1rgr h GLN 107 N 0.88 -0.13 -0.68 0.00 -0.00 -1.54 -3.35 115.11 110.30 1rgr h GLN 107 Ca 0.19 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 1rgr h GLN 107 Cb 0.34 0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.82 1rgr h GLN 107 CO 0.00 0.39 0.30 0.22 -0.00 0.00 0.00 178.83 179.74 1rgr h ASP 108 N -0.78 0.90 0.00 0.06 1.82 -1.53 -3.48 116.42 113.42 1rgr h ASP 108 Ca -0.01 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1rgr h ASP 108 Cb 0.57 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1rgr h ASP 108 CO 0.02 0.78 0.00 0.61 -1.61 0.00 0.00 179.24 179.05 1rgr n GLY 109 N -1.03 0.91 0.33 -0.78 0.00 -1.05 -5.06 105.19 98.51 1rgr n GLY 109 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.31 -0.49 1.61 5.12 -0.09 -4.87 116.66 119.24 1rgr n ARG 110 Ca 0.00 -2.77 0.43 0.00 -1.93 0.00 0.00 57.85 53.57 1rgr n ARG 110 Cb 0.00 -1.46 0.77 0.00 -1.16 0.00 0.00 32.46 30.61 1rgr n ARG 110 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 1rgr h LEU 111 N 0.41 0.03 -8.10 0.55 -0.00 -1.82 -3.20 115.31 103.18 1rgr h LEU 111 Ca -0.01 0.01 -0.54 0.00 -0.00 0.00 0.00 57.88 57.35 1rgr h LEU 111 Cb 1.04 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.63 1rgr h LEU 111 CO 0.00 -0.01 1.40 -0.60 -0.00 0.00 0.00 178.44 179.24 1rgr s ARG 112 N -4.96 3.38 0.04 0.17 3.52 -1.26 -4.51 118.95 115.33 1rgr s ARG 112 Ca -0.05 -1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 54.34 1rgr s ARG 112 Cb 0.25 -5.31 -0.07 0.00 -1.56 0.00 0.00 34.95 28.25 1rgr s ARG 112 CO 0.85 -2.52 1.25 -0.24 -0.81 0.00 0.00 175.30 173.82 1rgr h VAL 113 N 6.74 0.00 0.00 7.11 3.04 -1.84 -3.42 116.25 127.87 1rgr h VAL 113 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1rgr h VAL 113 Cb 0.99 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1rgr h VAL 113 CO 1.38 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.53 1rgr n ASN 114 N -3.78 0.00 -3.67 3.17 3.02 -0.58 -4.61 115.26 108.82 1rgr n ASN 114 Ca -0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.37 1rgr n ASN 114 Cb 0.20 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.00 0.23 -1.19 6.41 1.01 -1.25 -4.99 116.67 116.89 1rgr s ASP 115 Ca 0.00 0.63 -0.17 0.00 0.71 0.00 0.00 52.55 53.72 1rgr s ASP 115 Cb 0.00 0.74 0.11 0.00 1.01 0.00 0.00 42.92 44.78 1rgr s ASP 115 CO 0.00 -0.23 1.52 -0.44 0.21 0.00 0.00 175.17 176.23 1rgr s SER 116 N 2.32 6.86 0.04 0.27 0.01 -1.26 -1.83 113.70 120.11 1rgr s SER 116 Ca -0.00 -2.47 -0.30 0.00 1.31 0.00 0.00 55.95 54.48 1rgr s SER 116 Cb -0.12 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 1rgr s SER 116 CO -0.09 -1.05 1.72 -0.51 0.41 0.00 0.00 173.24 173.72 1rgr s ILE 117 N 3.18 3.12 -0.08 1.44 1.10 -0.55 -1.39 121.20 128.02 1rgr s ILE 117 Ca 0.46 0.43 -0.06 0.00 -0.51 0.00 0.00 60.65 60.97 1rgr s ILE 117 Cb -0.00 -3.28 -0.04 0.00 0.15 0.00 0.00 42.46 39.29 1rgr s ILE 117 CO 0.01 -0.02 -0.14 0.18 -2.11 0.00 0.00 174.94 172.86 1rgr n LEU 118 N 6.27 1.00 -4.19 8.50 4.32 -0.78 -3.98 117.00 128.14 1rgr n LEU 118 Ca 0.17 0.16 -0.29 0.00 -0.02 0.00 0.00 56.01 56.03 1rgr n LEU 118 Cb 0.41 -0.39 -0.16 0.00 -1.62 0.00 0.00 43.42 41.66 1rgr n LEU 118 CO 0.64 -0.03 -0.54 -0.36 -1.22 0.00 0.00 177.39 175.88 1rgr s PHE 119 N -2.26 2.15 -0.21 -1.77 0.08 -1.14 -1.24 117.98 113.60 1rgr s PHE 119 Ca -0.14 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.20 1rgr s PHE 119 Cb 0.05 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1rgr s PHE 119 CO 0.19 -0.25 -0.06 0.08 -0.10 0.00 0.00 175.22 175.08 1rgr s VAL 120 N 0.08 1.41 0.00 -0.44 1.01 -0.51 -1.09 120.40 120.86 1rgr s VAL 120 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1rgr s VAL 120 Cb -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1rgr s VAL 120 CO 0.04 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.72 1rgr n ASN 121 N 4.74 0.00 0.00 3.32 3.02 0.21 -1.79 115.26 124.75 1rgr n ASN 121 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1rgr n ASN 121 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.77 -1.76 3.52 4.07 -1.26 -4.98 120.64 121.99 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 -0.20 -0.01 0.00 -0.06 0.00 0.00 31.44 31.18 1rgr n GLU 122 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1rgr n VAL 123 N -0.12 1.53 -3.55 6.31 0.31 -0.74 -4.99 118.33 117.07 1rgr n VAL 123 Ca 0.00 -0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 1rgr n VAL 123 Cb 0.00 -1.96 -0.09 0.00 -0.91 0.00 0.00 33.84 30.88 1rgr n VAL 123 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1rgr s ASP 124 N 0.17 5.74 0.00 4.52 -4.77 -1.26 -1.42 116.67 119.64 1rgr s ASP 124 Ca 0.58 -1.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1rgr s ASP 124 Cb -0.49 -2.03 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1rgr s ASP 124 CO 0.56 -0.61 0.00 1.33 0.70 0.00 0.00 175.17 177.16 1rgr n VAL 125 N 4.97 0.00 0.00 2.11 0.24 -0.37 -4.95 118.33 120.32 1rgr n VAL 125 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1rgr n VAL 125 Cb 0.42 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.97 7.34 1.85 -1.10 -3.47 116.66 119.32 1rgr n ARG 126 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1rgr n ARG 126 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1rgr n GLU 127 N 0.00 3.56 -4.25 2.89 4.71 -1.26 -2.77 120.64 123.52 1rgr n GLU 127 Ca 0.00 -3.07 -0.14 0.00 -0.01 0.00 0.00 57.16 53.94 1rgr n GLU 127 Cb 0.00 -2.97 -0.10 0.00 -1.01 0.00 0.00 31.44 27.36 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1rgr s VAL 128 N 1.19 0.31 0.29 2.62 0.11 -1.23 -4.94 120.40 118.75 1rgr s VAL 128 Ca 0.48 -1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.24 1rgr s VAL 128 Cb 0.13 -2.49 -0.12 0.00 -1.53 0.00 0.00 36.38 32.37 1rgr s VAL 128 CO -0.05 -0.08 1.59 0.41 -3.33 0.00 0.00 175.10 173.64 1rgr n THR 129 N -0.34 0.99 -0.41 5.04 -1.04 -1.26 -0.81 114.28 116.46 1rgr n THR 129 Ca -0.00 -0.25 0.35 0.00 -2.04 0.00 0.00 64.05 62.11 1rgr n THR 129 Cb 0.66 -1.92 0.68 0.00 -1.82 0.00 0.00 70.33 67.92 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1rgr h HIS 130 N 4.80 0.28 -0.76 -1.42 2.07 -1.89 -2.52 115.15 115.70 1rgr h HIS 130 Ca -0.47 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.02 1rgr h HIS 130 Cb 1.23 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 31.10 1rgr h HIS 130 CO 0.58 -0.03 0.29 0.77 -3.07 0.00 0.00 177.93 176.47 1rgr h SER 131 N 0.11 1.06 -0.12 3.10 0.02 -1.97 0.10 113.55 115.86 1rgr h SER 131 Ca 0.69 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 61.32 1rgr h SER 131 Cb 2.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 64.63 1rgr h SER 131 CO -0.17 0.96 -0.39 0.00 -1.14 0.00 0.00 176.83 176.09 1rgr h ALA 132 N 1.15 0.80 0.03 3.77 0.00 -1.85 -2.30 119.26 120.87 1rgr h ALA 132 Ca 0.25 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rgr h ALA 132 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rgr h ALA 132 CO -0.02 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1rgr h ALA 133 N 1.03 -0.04 -0.67 0.00 0.00 -1.47 -0.36 119.26 117.75 1rgr h ALA 133 Ca 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1rgr h ALA 133 Cb 0.91 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1rgr h ALA 133 CO 0.08 -0.34 0.26 -0.24 0.00 0.00 0.00 179.25 179.01 1rgr h VAL 134 N -0.41 0.73 -0.30 0.00 3.04 -0.92 0.23 116.25 118.63 1rgr h VAL 134 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1rgr h VAL 134 Cb 0.38 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1rgr h VAL 134 CO 0.01 0.08 0.19 -0.08 -1.01 0.00 0.00 177.57 176.75 1rgr h GLU 135 N 0.43 0.39 -0.44 4.17 4.57 -1.42 -1.88 114.58 120.41 1rgr h GLU 135 Ca 0.35 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1rgr h GLU 135 Cb 0.47 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1rgr h GLU 135 CO -0.34 0.28 0.05 0.00 -1.18 0.00 0.00 179.01 177.82 1rgr h ALA 136 N 1.09 1.25 -0.23 2.92 0.00 -0.75 0.48 119.26 124.03 1rgr h ALA 136 Ca 0.11 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1rgr h ALA 136 Cb -0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 1rgr h ALA 136 CO -0.02 0.51 -0.29 -0.07 0.00 0.00 0.00 179.25 179.37 1rgr h LEU 137 N 0.67 -0.94 -0.51 0.00 -0.00 -0.89 -1.96 115.31 111.67 1rgr h LEU 137 Ca 0.14 0.15 -0.15 0.00 -0.00 0.00 0.00 57.88 58.03 1rgr h LEU 137 Cb 0.35 0.42 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1rgr h LEU 137 CO 0.01 -0.32 -0.36 0.11 -0.00 0.00 0.00 178.44 177.87 1rgr h LYS 138 N -0.31 0.81 0.00 1.13 1.57 -1.12 -3.18 116.57 115.47 1rgr h LYS 138 Ca 0.13 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1rgr h LYS 138 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rgr h LYS 138 CO -0.40 1.04 -0.03 1.49 -0.57 0.00 0.00 179.45 180.98 1rgr h GLU 139 N 0.67 0.00 -0.19 3.15 4.81 -0.01 -3.02 114.58 119.99 1rgr h GLU 139 Ca 0.06 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1rgr h GLU 139 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1rgr h GLU 139 CO 0.08 0.03 0.37 0.00 -0.73 0.00 0.00 179.01 178.77 1rgr h ALA 140 N 1.97 1.70 -4.54 2.92 0.00 -1.33 -3.48 119.26 116.51 1rgr h ALA 140 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rgr h ALA 140 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rgr h ALA 140 CO 0.00 -0.47 -0.69 0.41 0.00 0.00 0.00 179.25 178.51 1rgr n GLY 141 N -1.35 -3.68 4.39 0.00 0.00 -1.14 -3.75 105.19 99.66 1rgr n GLY 141 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.44 0.00 -3.47 1.61 7.64 -1.24 -4.86 113.62 113.74 1rgr n SER 142 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 1rgr n SER 142 Cb 0.03 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.00 -0.40 -0.22 0.44 -0.00 -1.25 -1.58 121.20 118.19 1rgr s ILE 143 Ca 0.00 -0.08 -0.26 0.00 -0.00 0.00 0.00 60.65 60.31 1rgr s ILE 143 Cb 0.00 -0.70 -0.00 0.00 -0.00 0.00 0.00 42.46 41.76 1rgr s ILE 143 CO 0.00 -0.16 0.88 0.68 -0.00 0.00 0.00 174.94 176.34 1rgr s VAL 144 N 2.39 4.81 -0.77 8.37 -7.23 0.34 -4.77 120.40 123.54 1rgr s VAL 144 Ca 0.08 1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 61.82 1rgr s VAL 144 Cb -0.15 -4.17 0.20 0.00 0.56 0.00 0.00 36.38 32.82 1rgr s VAL 144 CO -0.13 -0.08 0.69 -0.13 -0.31 0.00 0.00 175.10 175.15 1rgr s ARG 145 N 2.79 3.40 -0.06 4.82 1.81 -1.26 -1.43 118.95 129.02 1rgr s ARG 145 Ca 0.38 -2.39 -0.13 0.00 -1.72 0.00 0.00 55.73 51.87 1rgr s ARG 145 Cb -0.15 -4.32 -0.05 0.00 -0.45 0.00 0.00 34.95 29.97 1rgr s ARG 145 CO 0.08 -1.28 0.33 -0.51 -0.68 0.00 0.00 175.30 173.24 1rgr s LEU 146 N 0.29 4.41 -0.10 2.53 1.43 -0.24 -0.62 118.68 126.38 1rgr s LEU 146 Ca 0.16 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1rgr s LEU 146 Cb -0.14 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1rgr s LEU 146 CO -0.07 0.29 -0.12 -0.31 0.23 0.00 0.00 176.35 176.38 1rgr s TYR 147 N -0.73 1.67 -0.13 0.29 2.02 -0.25 -0.91 117.35 119.31 1rgr s TYR 147 Ca 0.21 -0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1rgr s TYR 147 Cb -0.15 -1.26 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1rgr s TYR 147 CO 0.09 -0.44 0.00 0.14 -1.57 0.00 0.00 175.55 173.77 1rgr s VAL 148 N 1.16 0.55 -0.08 0.71 -7.23 -0.50 -1.87 120.40 113.14 1rgr s VAL 148 Ca -0.04 -0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1rgr s VAL 148 Cb -0.14 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.00 1rgr s VAL 148 CO -0.03 0.08 -0.02 -0.32 -0.31 0.00 0.00 175.10 174.50 1rgr s MET 149 N 1.88 0.84 0.26 4.82 0.00 -0.48 -0.92 119.30 125.70 1rgr s MET 149 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 55.69 55.73 1rgr s MET 149 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 34.83 33.57 1rgr s MET 149 CO -0.07 -0.26 0.43 -0.98 0.00 0.00 0.00 175.02 174.14 1rgr s ARG 150 N 1.75 3.48 -0.56 4.11 1.70 -1.20 -4.70 118.95 123.53 1rgr s ARG 150 Ca 0.02 -0.48 -0.07 0.00 -0.47 0.00 0.00 55.73 54.73 1rgr s ARG 150 Cb -0.13 -2.80 0.01 0.00 -0.57 0.00 0.00 34.95 31.46 1rgr s ARG 150 CO -0.05 0.33 0.62 0.54 -1.08 0.00 0.00 175.30 175.66 1rgr n ARG 151 N -1.26 -1.76 -3.93 3.89 1.74 -1.26 -3.75 116.66 110.34 1rgr n ARG 151 Ca -0.06 1.75 -0.34 0.00 -0.77 0.00 0.00 57.85 58.43 1rgr n ARG 151 Cb 0.56 -5.53 -0.14 0.00 -1.02 0.00 0.00 32.46 26.33 1rgr n ARG 151 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1rgr s LYS 152 N -2.77 1.96 0.16 5.56 0.00 -1.26 -4.64 119.74 118.74 1rgr s LYS 152 Ca 0.12 -1.65 -0.17 0.00 0.00 0.00 0.00 55.97 54.27 1rgr s LYS 152 Cb -0.03 -3.27 0.07 0.00 0.00 0.00 0.00 37.83 34.60 1rgr s LYS 152 CO 0.72 -0.86 1.70 -1.35 0.00 0.00 0.00 175.35 175.57 1rgr h PRO 153 N 7.85 0.08 -0.01 1.78 0.11 -2.02 -3.52 132.00 136.28 1rgr h PRO 153 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1rgr h PRO 153 Cb 1.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rgr h PRO 153 CO 0.57 0.06 0.00 -0.35 -0.21 0.00 0.00 178.00 178.06