#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 1.51 -0.14 -1.84 1.13 -1.26 -2.02 117.35 114.74 1rgr s TYR 63 Ca 0.00 -0.29 -0.04 0.00 -1.41 0.00 0.00 57.07 55.33 1rgr s TYR 63 Cb 0.00 -0.97 -0.03 0.00 -1.10 0.00 0.00 41.96 39.85 1rgr s TYR 63 CO 0.00 -0.03 -0.01 -1.21 -2.51 0.00 0.00 175.55 171.78 1rgr s GLU 64 N -0.38 3.50 -0.20 -3.49 0.41 0.19 -4.94 118.70 113.79 1rgr s GLU 64 Ca 0.06 -0.47 -0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1rgr s GLU 64 Cb -0.07 -2.91 -0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1rgr s GLU 64 CO -0.01 0.39 -0.09 -1.83 -0.49 0.00 0.00 175.26 173.23 1rgr s GLU 65 N -0.01 3.28 -0.09 1.61 -1.05 -1.26 -1.83 118.70 119.35 1rgr s GLU 65 Ca 0.02 -0.68 -0.02 0.00 -0.15 0.00 0.00 54.97 54.14 1rgr s GLU 65 Cb -0.13 -2.85 0.03 0.00 -0.44 0.00 0.00 34.13 30.74 1rgr s GLU 65 CO 0.02 -0.14 0.00 0.96 0.95 0.00 0.00 175.26 177.05 1rgr s ILE 66 N 1.28 0.40 -0.19 1.83 -4.36 -0.59 -5.01 121.20 114.57 1rgr s ILE 66 Ca 0.03 0.03 -0.20 0.00 -0.26 0.00 0.00 60.65 60.25 1rgr s ILE 66 Cb -0.14 -0.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 1rgr s ILE 66 CO -0.04 0.20 0.59 -0.89 0.24 0.00 0.00 174.94 175.04 1rgr s THR 67 N 1.96 5.05 -0.16 8.37 2.01 -1.26 -0.72 115.64 130.90 1rgr s THR 67 Ca 0.04 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.16 1rgr s THR 67 Cb -0.13 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1rgr s THR 67 CO -0.06 0.15 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.65 1rgr s LEU 68 N 1.73 2.51 -0.19 4.42 2.96 0.04 -4.88 118.68 125.26 1rgr s LEU 68 Ca 0.27 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 1rgr s LEU 68 Cb -0.16 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1rgr s LEU 68 CO 0.10 0.08 0.58 -0.70 -1.32 0.00 0.00 176.35 175.09 1rgr s GLU 69 N 0.86 4.22 0.00 1.98 2.12 -1.26 -0.69 118.70 125.93 1rgr s GLU 69 Ca -0.04 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.83 1rgr s GLU 69 Cb -0.15 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1rgr s GLU 69 CO -0.01 -0.18 0.00 -2.13 -0.54 0.00 0.00 175.26 172.41 1rgr n ARG 70 N 4.84 0.00 0.00 4.30 3.00 -0.52 -4.71 116.66 123.57 1rgr n ARG 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1rgr n ARG 70 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1rgr n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rgr n GLY 71 N 0.00 2.34 5.57 5.14 0.00 -0.85 -4.30 105.19 113.09 1rgr n GLY 71 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.59 0.00 -0.00 1.61 2.85 -1.26 -2.04 115.26 117.01 1rgr n ASN 72 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 1rgr n ASN 72 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 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 4.59 0.73 0.00 1.20 7.64 -1.26 -5.09 113.62 121.43 1rgr n SER 73 Ca 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1rgr n SER 73 Cb 0.00 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 1rgr n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rgr n GLY 74 N 1.42 3.08 0.00 0.23 0.00 -0.86 -5.12 105.19 103.93 1rgr n GLY 74 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1rgr n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rgr n LEU 75 N 0.00 0.00 0.00 0.99 4.32 -1.26 -3.78 117.00 117.27 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1rgr n LEU 75 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1rgr n GLY 76 N 3.72 -0.61 3.62 -0.72 0.00 -1.26 -2.24 105.19 107.71 1rgr n GLY 76 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.64 -0.15 1.61 -0.12 -1.26 -1.91 117.98 115.51 1rgr s PHE 77 Ca 0.00 1.51 -0.17 0.00 -0.05 0.00 0.00 56.93 58.22 1rgr s PHE 77 Cb 0.00 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1rgr s PHE 77 CO 0.00 -0.33 0.44 -1.12 -0.05 0.00 0.00 175.22 174.16 1rgr s SER 78 N 0.16 6.59 -0.22 1.98 0.01 0.63 -4.84 113.70 118.01 1rgr s SER 78 Ca 0.01 0.70 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 1rgr s SER 78 Cb -0.05 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1rgr s SER 78 CO -0.01 -0.03 0.09 0.27 0.41 0.00 0.00 173.24 173.96 1rgr s ILE 79 N 0.89 4.77 0.62 1.44 -5.25 -1.26 -2.58 121.20 119.83 1rgr s ILE 79 Ca 0.23 -0.03 -0.11 0.00 -0.99 0.00 0.00 60.65 59.76 1rgr s ILE 79 Cb -0.15 -3.19 0.15 0.00 2.95 0.00 0.00 42.46 42.22 1rgr s ILE 79 CO 0.09 0.39 0.68 0.00 -1.79 0.00 0.00 174.94 174.32 1rgr n ALA 80 N 4.14 -1.41 -2.90 2.27 0.00 -0.41 -4.90 120.51 117.30 1rgr n ALA 80 Ca -0.16 -0.95 -0.26 0.00 0.00 0.00 0.00 53.44 52.08 1rgr n ALA 80 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -4.12 1.65 0.00 0.00 0.00 -1.26 -3.57 107.32 100.02 1rgr s GLY 81 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1rgr s GLY 81 CO 0.30 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1rgr n GLY 82 N -0.74 4.00 0.36 0.20 0.00 -0.11 -3.42 105.19 105.48 1rgr n GLY 82 Ca -0.07 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 43.93 1rgr n GLY 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rgr h THR 83 N 0.01 1.14 -0.58 2.61 1.35 -1.36 -2.34 112.91 113.75 1rgr h THR 83 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1rgr h THR 83 Cb 0.00 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.35 1rgr h THR 83 CO 0.00 0.20 0.00 -0.67 -0.25 0.00 0.00 175.52 174.80 1rgr n ASP 84 N -4.45 3.79 -2.74 5.36 2.03 -1.26 -4.59 116.55 114.69 1rgr n ASP 84 Ca 0.12 -2.23 -0.05 0.00 0.52 0.00 0.00 54.79 53.15 1rgr n ASP 84 Cb 0.11 -0.48 0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1rgr n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1rgr n ASN 85 N 1.08 -2.87 -4.69 1.67 2.85 -0.97 -5.00 115.26 107.33 1rgr n ASN 85 Ca 0.21 -2.63 -0.36 0.00 -0.11 0.00 0.00 54.58 51.69 1rgr n ASN 85 Cb 0.67 1.55 -0.09 0.00 1.24 0.00 0.00 39.78 43.15 1rgr n ASN 85 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rgr s PRO 86 N 0.79 4.13 0.23 1.20 0.04 -0.92 -0.93 135.00 139.53 1rgr s PRO 86 Ca 0.29 -0.25 0.13 0.00 0.04 0.00 0.00 61.00 61.22 1rgr s PRO 86 Cb 0.09 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1rgr s PRO 86 CO -0.11 0.18 1.36 1.25 0.04 0.00 0.00 177.00 179.73 1rgr h HIS 87 N 7.08 0.00 -3.25 0.56 2.76 -1.82 -3.47 115.15 117.00 1rgr h HIS 87 Ca -0.39 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.11 1rgr h HIS 87 Cb 1.16 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.97 1rgr h HIS 87 CO 0.62 0.62 -0.61 0.42 -1.30 0.00 0.00 177.93 177.68 1rgr s ILE 88 N -2.90 4.44 0.00 6.26 1.09 -1.26 -5.07 121.20 123.76 1rgr s ILE 88 Ca 0.03 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1rgr s ILE 88 Cb 0.08 -2.90 0.00 0.00 -1.06 0.00 0.00 42.46 38.59 1rgr s ILE 88 CO 0.77 0.58 0.44 0.61 -0.10 0.00 0.00 174.94 177.24 1rgr n GLY 89 N 2.40 -3.21 0.44 6.18 0.00 -1.26 -4.22 105.19 105.53 1rgr n GLY 89 Ca -0.18 0.65 0.04 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.85 2.67 -3.58 1.61 8.00 -1.26 -4.81 116.55 118.32 1rgr n ASP 90 Ca 0.00 -2.05 -0.27 0.00 0.71 0.00 0.00 54.79 53.18 1rgr n ASP 90 Cb 0.00 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1rgr n ASP 90 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rgr n ASP 91 N 0.15 2.17 -4.71 -2.24 9.92 -1.26 -5.09 116.55 115.48 1rgr n ASP 91 Ca 0.08 -3.04 -0.58 0.00 -0.53 0.00 0.00 54.79 50.72 1rgr n ASP 91 Cb 0.39 -0.68 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1rgr n PRO 92 N 1.76 1.10 -3.65 -0.24 -0.02 -1.26 -4.70 135.00 127.98 1rgr n PRO 92 Ca 0.25 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1rgr n PRO 92 Cb 0.41 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1rgr n PRO 92 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1rgr s SER 93 N 3.45 -0.96 -0.08 2.55 0.01 -1.22 -3.70 113.70 113.74 1rgr s SER 93 Ca 0.98 1.46 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 1rgr s SER 93 Cb -1.09 1.92 -0.02 0.00 0.21 0.00 0.00 66.02 67.04 1rgr s SER 93 CO 0.66 -0.22 1.03 -0.63 0.41 0.00 0.00 173.24 174.48 1rgr s ILE 94 N 2.52 4.73 0.30 1.44 -1.09 -0.92 -4.39 121.20 123.77 1rgr s ILE 94 Ca -0.07 1.99 0.11 0.00 -2.23 0.00 0.00 60.65 60.45 1rgr s ILE 94 Cb -0.10 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1rgr s ILE 94 CO -0.18 0.03 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.09 1rgr s PHE 95 N 1.89 2.44 -0.33 3.97 0.08 -1.23 -1.79 117.98 123.00 1rgr s PHE 95 Ca 0.50 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 1rgr s PHE 95 Cb -0.19 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1rgr s PHE 95 CO 0.20 0.64 0.15 0.42 -0.10 0.00 0.00 175.22 176.53 1rgr s ILE 96 N -2.48 4.36 -0.24 0.64 1.01 -1.25 -1.29 121.20 121.95 1rgr s ILE 96 Ca 0.32 -0.73 0.22 0.00 0.00 0.00 0.00 60.65 60.46 1rgr s ILE 96 Cb -0.03 -3.34 -0.18 0.00 0.01 0.00 0.00 42.46 38.91 1rgr s ILE 96 CO 0.17 -0.07 0.78 0.41 0.00 0.00 0.00 174.94 176.23 1rgr n THR 97 N 4.94 0.24 -4.08 2.92 -1.04 -1.07 -1.20 114.28 115.00 1rgr n THR 97 Ca -0.13 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 61.32 1rgr n THR 97 Cb 0.47 -0.04 -0.11 0.00 -1.82 0.00 0.00 70.33 68.84 1rgr n THR 97 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rgr s LYS 98 N -3.39 0.58 -0.17 -2.82 2.20 -1.16 -4.89 119.74 110.09 1rgr s LYS 98 Ca -0.03 -0.93 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1rgr s LYS 98 Cb 0.13 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 1rgr s LYS 98 CO 0.85 0.00 -0.10 0.96 -0.36 0.00 0.00 175.35 176.70 1rgr s ILE 99 N -2.24 3.15 0.04 5.43 -4.36 -1.26 -0.27 121.20 121.69 1rgr s ILE 99 Ca -0.04 -0.60 -0.31 0.00 -0.26 0.00 0.00 60.65 59.45 1rgr s ILE 99 Cb -0.04 -2.37 -0.06 0.00 1.25 0.00 0.00 42.46 41.24 1rgr s ILE 99 CO -0.02 0.49 1.33 -0.63 0.24 0.00 0.00 174.94 176.35 1rgr s ILE 100 N 0.83 3.73 0.19 8.37 1.09 -0.80 -4.88 121.20 129.72 1rgr s ILE 100 Ca -0.03 1.19 -0.33 0.00 -1.10 0.00 0.00 60.65 60.37 1rgr s ILE 100 Cb -0.15 -3.76 -0.13 0.00 -1.06 0.00 0.00 42.46 37.36 1rgr s ILE 100 CO 0.01 0.05 1.60 -2.65 -0.10 0.00 0.00 174.94 173.84 1rgr n PRO 101 N 4.63 2.31 -1.00 2.79 -0.02 -1.26 -1.63 135.00 140.82 1rgr n PRO 101 Ca 0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1rgr n PRO 101 Cb 0.44 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1rgr n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgr n GLY 102 N 3.35 0.33 0.00 -1.23 0.00 -1.26 -5.04 105.19 101.34 1rgr n GLY 102 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.60 -0.33 0.15 -0.02 0.00 -0.65 -4.74 105.19 98.00 1rgr n GLY 103 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.43 -0.27 -0.39 4.61 0.00 -1.52 -1.05 119.26 119.22 1rgr h ALA 104 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1rgr h ALA 104 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rgr h ALA 104 CO 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 179.25 178.50 1rgr h ALA 105 N 0.23 0.89 0.10 0.00 0.00 -1.90 -2.21 119.26 116.36 1rgr h ALA 105 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rgr h ALA 105 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rgr h ALA 105 CO 0.05 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.88 1rgr h ALA 106 N 1.08 -0.13 0.82 0.00 0.00 -1.80 0.51 119.26 119.74 1rgr h ALA 106 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1rgr h ALA 106 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rgr h ALA 106 CO 0.06 -0.48 -0.45 0.37 0.00 0.00 0.00 179.25 178.75 1rgr h GLN 107 N -0.32 -1.13 -0.09 0.00 -0.00 -1.26 -3.27 115.11 109.04 1rgr h GLN 107 Ca -0.01 0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1rgr h GLN 107 Cb 0.27 0.26 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1rgr h GLN 107 CO 0.02 -0.75 -0.08 0.22 0.00 0.00 0.00 178.83 178.24 1rgr h ASP 108 N -1.17 0.23 0.00 -0.69 1.82 -1.53 -3.44 116.42 111.63 1rgr h ASP 108 Ca -0.11 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1rgr h ASP 108 Cb 0.92 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1rgr h ASP 108 CO 0.15 0.66 0.00 0.61 -1.61 0.00 0.00 179.24 179.04 1rgr n GLY 109 N 0.19 0.01 3.55 -0.78 0.00 -0.95 -5.04 105.19 102.17 1rgr n GLY 109 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1rgr n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rgr n ARG 110 N -2.29 -6.70 -0.02 1.61 0.63 0.18 -4.97 116.66 105.10 1rgr n ARG 110 Ca 0.00 0.79 -0.21 0.00 -0.92 0.00 0.00 57.85 57.51 1rgr n ARG 110 Cb 0.00 -5.75 -0.14 0.00 0.45 0.00 0.00 32.46 27.02 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 -4.45 2.62 -3.61 6.15 -0.00 -1.26 -5.03 117.00 111.42 1rgr n LEU 111 Ca -0.18 0.19 -0.01 0.00 -0.00 0.00 0.00 56.01 56.01 1rgr n LEU 111 Cb 0.63 -1.09 -0.01 0.00 -0.00 0.00 0.00 43.42 42.95 1rgr n LEU 111 CO 0.64 0.83 1.04 0.00 -0.00 0.00 0.00 177.39 179.89 1rgr s ARG 112 N -2.54 0.37 0.01 1.47 1.70 -1.26 -5.06 118.95 113.64 1rgr s ARG 112 Ca -0.24 -0.18 -0.03 0.00 -0.47 0.00 0.00 55.73 54.81 1rgr s ARG 112 Cb 0.07 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1rgr s ARG 112 CO 0.74 -0.17 1.05 -0.39 -1.08 0.00 0.00 175.30 175.45 1rgr h VAL 113 N 2.00 0.00 0.00 4.99 -1.51 -1.90 -3.47 116.25 116.36 1rgr h VAL 113 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1rgr h VAL 113 Cb 1.19 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1rgr h VAL 113 CO 0.26 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 173.40 1rgr n ASN 114 N -3.16 0.00 0.00 4.19 5.15 -1.11 -4.82 115.26 115.52 1rgr n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1rgr n ASN 114 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1rgr n ASP 115 N 0.00 0.00 -3.49 1.20 -0.08 -0.34 -4.36 116.55 109.48 1rgr n ASP 115 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1rgr n ASP 115 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1rgr n ASP 115 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1rgr s SER 116 N -3.09 3.12 -0.17 1.67 0.01 -1.26 -3.84 113.70 110.14 1rgr s SER 116 Ca 0.00 -2.03 -0.29 0.00 1.31 0.00 0.00 55.95 54.94 1rgr s SER 116 Cb 0.00 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.80 1rgr s SER 116 CO 0.00 -0.33 1.11 -0.51 0.41 0.00 0.00 173.24 173.91 1rgr s ILE 117 N 1.24 4.55 -0.19 1.44 -1.16 -0.74 -3.84 121.20 122.50 1rgr s ILE 117 Ca 0.16 1.86 -0.06 0.00 -0.51 0.00 0.00 60.65 62.10 1rgr s ILE 117 Cb -0.22 -4.20 -0.09 0.00 0.61 0.00 0.00 42.46 38.56 1rgr s ILE 117 CO -0.06 -0.11 -0.22 0.00 -2.81 0.00 0.00 174.94 171.73 1rgr n LEU 118 N 6.01 1.86 -4.31 8.50 -0.00 -0.82 -4.12 117.00 124.10 1rgr n LEU 118 Ca 0.12 0.14 -0.30 0.00 -0.00 0.00 0.00 56.01 55.96 1rgr n LEU 118 Cb 0.46 -0.59 -0.16 0.00 -0.00 0.00 0.00 43.42 43.14 1rgr n LEU 118 CO 0.53 0.53 -0.57 -0.36 -0.00 0.00 0.00 177.39 177.52 1rgr s PHE 119 N -2.36 2.28 -0.11 1.47 0.40 -1.24 -1.55 117.98 116.87 1rgr s PHE 119 Ca -0.26 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 1rgr s PHE 119 Cb 0.09 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1rgr s PHE 119 CO 0.36 0.01 -0.10 0.54 0.70 0.00 0.00 175.22 176.74 1rgr s VAL 120 N -0.66 1.12 0.00 -0.44 0.11 -1.18 -1.51 120.40 117.85 1rgr s VAL 120 Ca 0.10 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1rgr s VAL 120 Cb -0.10 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1rgr s VAL 120 CO -0.00 0.38 0.00 0.59 -3.33 0.00 0.00 175.10 172.74 1rgr n ASN 121 N 4.67 0.00 0.00 3.54 3.02 0.19 -2.26 115.26 124.43 1rgr n ASN 121 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 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 1.21 -2.62 0.00 0.00 177.26 175.85 1rgr n GLU 122 N 0.00 0.00 -1.98 3.52 4.07 -1.26 -4.93 120.64 120.06 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 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 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 -0.07 2.53 -1.20 6.31 1.01 -0.96 -4.96 120.40 123.07 1rgr s VAL 123 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 1rgr s VAL 123 Cb 0.00 -3.30 0.16 0.00 0.00 0.00 0.00 36.38 33.24 1rgr s VAL 123 CO 0.00 0.08 1.44 1.51 0.00 0.00 0.00 175.10 178.13 1rgr s ASP 124 N 0.21 7.02 0.00 3.32 -4.77 -1.26 -3.12 116.67 118.06 1rgr s ASP 124 Ca 0.58 -2.87 0.00 0.00 -3.30 0.00 0.00 52.55 46.96 1rgr s ASP 124 Cb -0.43 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 38.98 1rgr s ASP 124 CO 0.47 -0.81 0.00 1.33 0.70 0.00 0.00 175.17 176.86 1rgr n VAL 125 N 4.86 0.00 0.00 2.11 0.24 -1.12 -4.88 118.33 119.54 1rgr n VAL 125 Ca 0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.67 1rgr n VAL 125 Cb 0.44 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.02 0.00 -1.87 7.34 1.85 -0.60 -3.32 116.66 120.05 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 3.48 -4.32 2.89 1.02 -1.24 -2.17 120.64 120.30 1rgr n GLU 127 Ca 0.00 -2.92 -0.16 0.00 -0.02 0.00 0.00 57.16 54.06 1rgr n GLU 127 Cb 0.00 -3.00 -0.10 0.00 -0.02 0.00 0.00 31.44 28.32 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 1.57 0.72 0.33 2.62 0.11 -1.21 -4.93 120.40 119.61 1rgr s VAL 128 Ca 0.50 -2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 57.26 1rgr s VAL 128 Cb 0.14 -2.50 -0.11 0.00 -1.53 0.00 0.00 36.38 32.38 1rgr s VAL 128 CO -0.06 -0.15 1.55 0.41 -3.33 0.00 0.00 175.10 173.52 1rgr n THR 129 N -0.43 1.40 -0.35 5.04 -1.04 -1.26 -0.94 114.28 116.69 1rgr n THR 129 Ca -0.02 -0.35 0.25 0.00 -2.04 0.00 0.00 64.05 61.88 1rgr n THR 129 Cb 0.65 -1.97 0.51 0.00 -1.82 0.00 0.00 70.33 67.70 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 4.07 0.75 -0.56 -1.42 2.07 -1.89 -2.64 115.15 115.53 1rgr h HIS 130 Ca -0.48 0.03 0.06 0.00 -2.85 0.00 0.00 60.37 57.12 1rgr h HIS 130 Cb 1.23 -0.21 -0.05 0.00 2.57 0.00 0.00 27.41 30.95 1rgr h HIS 130 CO 0.56 -0.03 0.27 0.77 -3.07 0.00 0.00 177.93 176.43 1rgr h SER 131 N 0.36 0.36 -0.52 3.10 0.02 -1.98 0.29 113.55 115.19 1rgr h SER 131 Ca 0.67 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.56 1rgr h SER 131 Cb 1.68 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 1rgr h SER 131 CO -0.41 0.24 -0.04 0.00 -1.14 0.00 0.00 176.83 175.48 1rgr h ALA 132 N 1.33 0.88 0.07 3.77 0.00 -1.87 -1.27 119.26 122.17 1rgr h ALA 132 Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rgr h ALA 132 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rgr h ALA 132 CO -0.20 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1rgr h ALA 133 N 1.05 -0.09 -0.94 0.00 0.00 -1.48 -1.14 119.26 116.65 1rgr h ALA 133 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rgr h ALA 133 Cb 0.58 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1rgr h ALA 133 CO 0.03 -0.35 0.63 -0.24 0.00 0.00 0.00 179.25 179.32 1rgr h VAL 134 N -0.49 1.24 -0.56 0.00 3.04 -0.52 0.22 116.25 119.18 1rgr h VAL 134 Ca -0.01 -0.44 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1rgr h VAL 134 Cb 0.43 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.53 1rgr h VAL 134 CO 0.02 0.23 0.19 -0.08 -1.01 0.00 0.00 177.57 176.92 1rgr h GLU 135 N 1.28 0.85 -0.10 4.17 4.81 -1.33 -1.96 114.58 122.30 1rgr h GLU 135 Ca 0.35 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1rgr h GLU 135 Cb -0.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1rgr h GLU 135 CO -0.08 0.77 -0.18 0.00 -0.73 0.00 0.00 179.01 178.79 1rgr h ALA 136 N 1.05 1.52 0.52 2.92 0.00 -0.73 0.16 119.26 124.69 1rgr h ALA 136 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rgr h ALA 136 Cb 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rgr h ALA 136 CO -0.01 0.35 -0.25 -0.07 0.00 0.00 0.00 179.25 179.27 1rgr h LEU 137 N 0.15 -0.59 -1.44 0.00 4.07 -0.53 -0.95 115.31 116.02 1rgr h LEU 137 Ca 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1rgr h LEU 137 Cb 0.41 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1rgr h LEU 137 CO 0.03 -0.37 -0.12 0.07 -1.08 0.00 0.00 178.44 176.97 1rgr h LYS 138 N -0.77 0.22 0.00 1.13 2.10 -1.34 -2.90 116.57 115.01 1rgr h LYS 138 Ca -0.07 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.48 1rgr h LYS 138 Cb 0.57 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1rgr h LYS 138 CO 0.12 0.35 -0.25 1.49 -2.00 0.00 0.00 179.45 179.16 1rgr h GLU 139 N 0.21 0.00 -0.85 0.07 4.57 -0.70 -2.30 114.58 115.58 1rgr h GLU 139 Ca 0.04 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 1rgr h GLU 139 Cb 0.35 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.84 1rgr h GLU 139 CO 0.02 0.25 0.42 0.00 -1.18 0.00 0.00 179.01 178.52 1rgr h ALA 140 N 1.75 1.28 0.00 2.92 0.00 -0.95 -3.48 119.26 120.78 1rgr h ALA 140 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rgr h ALA 140 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rgr h ALA 140 CO 0.03 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1rgr n GLY 141 N -1.33 0.73 0.00 0.00 0.00 -0.87 -3.29 105.19 100.44 1rgr n GLY 141 Ca 0.17 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1rgr n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgr n SER 142 N 3.57 0.00 -3.39 1.61 2.88 -1.26 -2.00 113.62 115.02 1rgr n SER 142 Ca 0.00 -0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.02 1rgr n SER 142 Cb 0.00 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 1rgr n SER 142 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rgr s ILE 143 N -2.20 -0.50 -0.34 2.46 -0.00 -1.21 -1.44 121.20 117.97 1rgr s ILE 143 Ca 0.25 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.65 60.71 1rgr s ILE 143 Cb 0.13 -0.82 0.07 0.00 -0.00 0.00 0.00 42.46 41.85 1rgr s ILE 143 CO 0.25 -0.21 0.09 -0.69 -0.00 0.00 0.00 174.94 174.37 1rgr s VAL 144 N 2.45 3.13 -0.87 8.37 1.01 0.14 -4.68 120.40 129.96 1rgr s VAL 144 Ca 0.10 -1.65 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 1rgr s VAL 144 Cb -0.15 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.40 1rgr s VAL 144 CO -0.19 -0.35 1.08 -0.13 0.00 0.00 0.00 175.10 175.51 1rgr s ARG 145 N 1.21 3.49 -0.12 2.72 0.52 -1.26 -0.78 118.95 124.72 1rgr s ARG 145 Ca 0.01 -1.60 -0.16 0.00 -0.52 0.00 0.00 55.73 53.46 1rgr s ARG 145 Cb -0.21 -4.77 -0.05 0.00 0.52 0.00 0.00 34.95 30.45 1rgr s ARG 145 CO -0.02 -1.76 0.39 -0.51 0.02 0.00 0.00 175.30 173.41 1rgr s LEU 146 N 2.88 4.28 -0.11 2.53 1.43 0.11 -0.63 118.68 129.16 1rgr s LEU 146 Ca 0.30 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1rgr s LEU 146 Cb -0.08 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1rgr s LEU 146 CO -0.06 0.08 -0.23 -0.31 0.23 0.00 0.00 176.35 176.06 1rgr s TYR 147 N 0.36 2.58 -0.04 0.29 2.02 -0.57 -1.54 117.35 120.45 1rgr s TYR 147 Ca 0.21 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 1rgr s TYR 147 Cb -0.14 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1rgr s TYR 147 CO 0.08 -0.48 -0.01 0.54 -1.57 0.00 0.00 175.55 174.11 1rgr s VAL 148 N 0.50 0.29 -0.06 0.71 0.11 -0.76 -1.95 120.40 119.24 1rgr s VAL 148 Ca -0.15 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1rgr s VAL 148 Cb -0.17 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1rgr s VAL 148 CO 0.05 0.18 0.08 -0.04 -3.33 0.00 0.00 175.10 172.04 1rgr s MET 149 N 1.13 3.17 -0.29 1.54 -1.94 -1.25 -0.64 119.30 121.01 1rgr s MET 149 Ca -0.08 -0.35 -0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1rgr s MET 149 Cb -0.14 -2.95 0.01 0.00 2.01 0.00 0.00 34.83 33.77 1rgr s MET 149 CO -0.02 0.70 0.08 1.03 -0.01 0.00 0.00 175.02 176.80 1rgr s ARG 150 N -1.30 3.10 -0.09 2.03 0.52 -0.85 -4.76 118.95 117.60 1rgr s ARG 150 Ca 0.18 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1rgr s ARG 150 Cb -0.12 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.00 1rgr s ARG 150 CO 0.08 -0.44 -0.14 0.50 0.02 0.00 0.00 175.30 175.33 1rgr s ARG 151 N 1.50 1.97 -0.35 3.54 3.52 -1.26 -4.65 118.95 123.21 1rgr s ARG 151 Ca 0.03 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.03 1rgr s ARG 151 Cb -0.17 -1.67 0.01 0.00 -1.56 0.00 0.00 34.95 31.56 1rgr s ARG 151 CO 0.02 -0.03 0.43 1.17 -0.81 0.00 0.00 175.30 176.09 1rgr n LYS 152 N 4.07 -2.18 -0.25 5.12 4.81 -1.26 -4.96 118.16 123.52 1rgr n LYS 152 Ca -0.20 1.97 0.05 0.00 -0.87 0.00 0.00 58.31 59.26 1rgr n LYS 152 Cb 0.51 -5.01 0.18 0.00 0.02 0.00 0.00 35.03 30.73 1rgr n LYS 152 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1rgr h PRO 153 N 1.83 0.28 0.00 1.64 0.11 -2.03 -3.55 132.00 130.29 1rgr h PRO 153 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1rgr h PRO 153 Cb 0.72 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1rgr h PRO 153 CO 0.16 0.19 0.00 -2.30 -0.21 0.00 0.00 178.00 175.83