#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 2.37 0.02 -0.32 1.13 -1.26 -1.19 117.35 118.09 1rgr s TYR 63 Ca 0.00 -0.51 0.03 0.00 -1.41 0.00 0.00 57.07 55.18 1rgr s TYR 63 Cb 0.00 -1.53 -0.04 0.00 -1.10 0.00 0.00 41.96 39.29 1rgr s TYR 63 CO 0.00 -0.08 -0.03 -1.21 -2.51 0.00 0.00 175.55 171.71 1rgr s GLU 64 N -0.49 2.62 -0.23 -3.49 2.02 -0.19 -4.94 118.70 114.00 1rgr s GLU 64 Ca 0.06 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 1rgr s GLU 64 Cb -0.11 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1rgr s GLU 64 CO 0.00 0.60 0.04 -1.21 0.02 0.00 0.00 175.26 174.71 1rgr s GLU 65 N -1.64 3.62 -0.07 1.61 8.01 -1.26 -1.79 118.70 127.17 1rgr s GLU 65 Ca 0.19 -0.50 0.01 0.00 0.01 0.00 0.00 54.97 54.68 1rgr s GLU 65 Cb -0.11 -3.21 0.02 0.00 -4.31 0.00 0.00 34.13 26.51 1rgr s GLU 65 CO 0.10 -0.12 -0.09 0.42 0.01 0.00 0.00 175.26 175.58 1rgr s ILE 66 N 1.39 0.93 -0.18 -1.63 1.09 -0.08 -5.04 121.20 117.68 1rgr s ILE 66 Ca 0.05 -0.33 -0.09 0.00 -1.10 0.00 0.00 60.65 59.18 1rgr s ILE 66 Cb -0.15 -0.89 -0.05 0.00 -1.06 0.00 0.00 42.46 40.32 1rgr s ILE 66 CO 0.02 0.32 0.13 -0.89 -0.10 0.00 0.00 174.94 174.41 1rgr s THR 67 N 0.91 5.38 -0.06 2.92 2.01 -1.26 -0.11 115.64 125.43 1rgr s THR 67 Ca -0.10 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1rgr s THR 67 Cb -0.15 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1rgr s THR 67 CO 0.01 0.49 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.10 1rgr s LEU 68 N 0.01 1.58 -0.16 4.42 0.20 -0.08 -5.00 118.68 119.66 1rgr s LEU 68 Ca 0.09 -0.26 -0.26 0.00 0.69 0.00 0.00 54.13 54.40 1rgr s LEU 68 Cb -0.11 -0.74 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1rgr s LEU 68 CO -0.00 0.02 0.86 -1.61 -0.29 0.00 0.00 176.35 175.32 1rgr s GLU 69 N 0.70 4.32 0.00 1.98 2.02 -1.26 0.10 118.70 126.55 1rgr s GLU 69 Ca -0.14 1.07 0.00 0.00 0.02 0.00 0.00 54.97 55.92 1rgr s GLU 69 Cb -0.15 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.51 1rgr s GLU 69 CO 0.03 -0.32 0.00 -2.13 0.02 0.00 0.00 175.26 172.86 1rgr n ARG 70 N 5.17 0.06 0.00 1.61 0.63 0.00 -4.74 116.66 119.40 1rgr n ARG 70 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1rgr n ARG 70 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1rgr n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rgr n GLY 71 N 3.60 0.55 0.00 5.14 0.00 -1.08 -4.88 105.19 108.52 1rgr n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rgr n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rgr n ASN 72 N 0.00 0.00 -0.01 1.61 2.85 -1.26 -4.94 115.26 113.51 1rgr n ASN 72 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 1rgr n ASN 72 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1rgr n ASN 72 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1rgr n SER 73 N -0.80 0.20 -4.65 1.20 3.41 -1.26 -4.96 113.62 106.76 1rgr n SER 73 Ca 0.00 -0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.24 1rgr n SER 73 Cb 0.00 1.85 -0.07 0.00 -0.26 0.00 0.00 64.21 65.72 1rgr n SER 73 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rgr s GLY 74 N -4.27 1.83 0.00 5.00 0.00 -1.26 -5.04 107.32 103.58 1rgr s GLY 74 Ca -0.06 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.91 1rgr s GLY 74 CO 0.89 -1.78 0.23 1.47 0.00 0.00 0.00 173.10 173.91 1rgr n LEU 75 N -0.96 0.41 -2.80 0.66 -0.00 -1.26 -2.62 117.00 110.44 1rgr n LEU 75 Ca -0.05 -0.64 -0.12 0.00 -0.00 0.00 0.00 56.01 55.20 1rgr n LEU 75 Cb 0.60 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.09 1rgr n LEU 75 CO 0.42 0.09 0.07 0.61 -0.00 0.00 0.00 177.39 178.58 1rgr n GLY 76 N 0.81 -0.23 3.35 1.47 0.00 -1.26 -1.10 105.19 108.22 1rgr n GLY 76 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.27 -0.32 -0.11 1.61 -0.12 -1.26 -1.21 117.98 113.29 1rgr s PHE 77 Ca 0.06 0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.12 1rgr s PHE 77 Cb -0.01 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1rgr s PHE 77 CO 0.54 -0.69 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.70 1rgr s SER 78 N -2.47 2.79 -0.15 1.98 0.01 0.51 -4.79 113.70 111.58 1rgr s SER 78 Ca -0.01 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.55 1rgr s SER 78 Cb 0.00 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.92 1rgr s SER 78 CO -0.08 0.08 0.51 0.27 0.41 0.00 0.00 173.24 174.43 1rgr s ILE 79 N 0.73 5.15 0.51 1.44 -4.36 -1.26 -2.59 121.20 120.82 1rgr s ILE 79 Ca -0.11 0.99 -0.07 0.00 -0.26 0.00 0.00 60.65 61.21 1rgr s ILE 79 Cb -0.16 -3.84 0.11 0.00 1.25 0.00 0.00 42.46 39.82 1rgr s ILE 79 CO 0.02 0.26 0.70 0.00 0.24 0.00 0.00 174.94 176.15 1rgr n ALA 80 N 4.11 -0.56 -2.52 2.27 0.00 0.84 -4.90 120.51 119.74 1rgr n ALA 80 Ca -0.06 -1.02 -0.27 0.00 0.00 0.00 0.00 53.44 52.09 1rgr n ALA 80 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.42 1.62 0.00 0.00 0.00 -1.26 -3.54 107.32 99.72 1rgr s GLY 81 Ca 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1rgr s GLY 81 CO 0.28 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1rgr n GLY 82 N -1.44 3.04 0.32 0.20 0.00 -0.67 -4.26 105.19 102.37 1rgr n GLY 82 Ca -0.02 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 0.41 0.21 0.00 2.61 1.35 -1.47 -0.94 112.91 115.08 1rgr h THR 83 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1rgr h THR 83 Cb 0.00 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1rgr h THR 83 CO 0.00 0.02 -0.42 -0.78 -0.25 0.00 0.00 175.52 174.09 1rgr h ASP 84 N 0.14 0.00 -1.21 5.36 3.58 -1.95 -3.42 116.42 118.92 1rgr h ASP 84 Ca 0.59 -0.13 -0.37 0.00 0.42 0.00 0.00 57.03 57.54 1rgr h ASP 84 Cb 1.25 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 42.04 1rgr h ASP 84 CO -0.73 0.07 -0.76 -3.20 -2.88 0.00 0.00 179.24 171.74 1rgr n ASN 85 N -2.22 -1.71 -4.69 2.28 5.15 -0.55 -5.06 115.26 108.47 1rgr n ASN 85 Ca 0.04 -2.88 -0.33 0.00 -0.60 0.00 0.00 54.58 50.81 1rgr n ASN 85 Cb 0.44 0.68 -0.09 0.00 -0.53 0.00 0.00 39.78 40.29 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 0.08 2.83 0.49 1.20 0.04 -0.47 -1.68 135.00 137.49 1rgr s PRO 86 Ca 0.33 -0.58 0.24 0.00 0.04 0.00 0.00 61.00 61.02 1rgr s PRO 86 Cb 0.13 -2.69 1.27 0.00 0.04 0.00 0.00 34.50 33.24 1rgr s PRO 86 CO -0.16 0.64 2.02 1.25 0.04 0.00 0.00 177.00 180.78 1rgr h HIS 87 N 4.44 0.00 -3.15 0.56 2.76 -1.86 -3.44 115.15 114.46 1rgr h HIS 87 Ca -0.49 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.38 1rgr h HIS 87 Cb 1.18 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.78 1rgr h HIS 87 CO 0.61 0.16 -0.65 0.96 -1.30 0.00 0.00 177.93 177.71 1rgr s ILE 88 N -4.22 -0.21 -2.02 6.26 -5.25 -1.26 -5.02 121.20 109.47 1rgr s ILE 88 Ca -0.03 0.35 0.24 0.00 -0.99 0.00 0.00 60.65 60.22 1rgr s ILE 88 Cb 0.13 -0.26 0.66 0.00 2.95 0.00 0.00 42.46 45.94 1rgr s ILE 88 CO 0.62 0.15 1.89 0.61 -1.79 0.00 0.00 174.94 176.42 1rgr n GLY 89 N 5.19 -0.93 0.04 6.27 0.00 -1.26 -4.01 105.19 110.49 1rgr n GLY 89 Ca -0.07 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.80 0.58 -3.18 1.61 8.00 -1.26 -4.71 116.55 116.79 1rgr n ASP 90 Ca 0.18 0.09 0.02 0.00 0.71 0.00 0.00 54.79 55.79 1rgr n ASP 90 Cb 0.10 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rgr s ASP 91 N -3.77 -1.51 -0.47 -2.24 2.15 -1.26 -5.11 116.67 104.46 1rgr s ASP 91 Ca 0.09 -0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.65 1rgr s ASP 91 Cb 0.15 1.97 -0.06 0.00 -0.30 0.00 0.00 42.92 44.68 1rgr s ASP 91 CO 0.69 -0.26 2.32 -2.16 -0.17 0.00 0.00 175.17 175.58 1rgr s PRO 92 N 2.50 2.30 -0.15 4.34 0.04 -1.26 -4.87 135.00 137.90 1rgr s PRO 92 Ca 0.12 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 1rgr s PRO 92 Cb -0.08 -4.53 0.04 0.00 0.04 0.00 0.00 34.50 29.96 1rgr s PRO 92 CO -0.20 -3.06 0.38 -1.12 0.04 0.00 0.00 177.00 173.04 1rgr s SER 93 N 11.19 -0.41 -0.00 6.66 0.01 -1.25 -3.44 113.70 126.47 1rgr s SER 93 Ca 0.94 0.78 -0.30 0.00 1.31 0.00 0.00 55.95 58.68 1rgr s SER 93 Cb -0.19 0.78 -0.03 0.00 0.21 0.00 0.00 66.02 66.79 1rgr s SER 93 CO 0.27 -0.14 0.99 -0.63 0.41 0.00 0.00 173.24 174.14 1rgr s ILE 94 N 0.28 4.82 -0.06 1.44 -1.09 -0.47 -4.43 121.20 121.68 1rgr s ILE 94 Ca -0.01 2.02 -0.01 0.00 -2.23 0.00 0.00 60.65 60.43 1rgr s ILE 94 Cb -0.03 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1rgr s ILE 94 CO -0.00 0.15 -0.01 0.72 -1.23 0.00 0.00 174.94 174.57 1rgr s PHE 95 N 1.07 0.66 -0.42 3.97 -0.71 -1.23 -2.19 117.98 119.13 1rgr s PHE 95 Ca 0.52 -0.16 -0.29 0.00 -1.04 0.00 0.00 56.93 55.96 1rgr s PHE 95 Cb -0.21 -0.76 0.01 0.00 -1.21 0.00 0.00 43.02 40.85 1rgr s PHE 95 CO 0.28 -0.30 1.43 0.42 -1.34 0.00 0.00 175.22 175.71 1rgr s ILE 96 N 1.75 3.88 -0.60 -4.49 1.01 -0.54 -0.11 121.20 122.10 1rgr s ILE 96 Ca 0.02 0.89 0.23 0.00 0.00 0.00 0.00 60.65 61.79 1rgr s ILE 96 Cb -0.13 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 1rgr s ILE 96 CO -0.04 -0.76 0.99 0.41 0.00 0.00 0.00 174.94 175.54 1rgr n THR 97 N 7.10 0.15 -3.99 2.92 -1.04 -1.08 -0.54 114.28 117.80 1rgr n THR 97 Ca 0.17 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 1rgr n THR 97 Cb 0.48 0.24 -0.11 0.00 -1.82 0.00 0.00 70.33 69.12 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 -3.20 0.34 -0.15 -2.82 2.20 -1.07 -4.91 119.74 110.13 1rgr s LYS 98 Ca 0.03 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1rgr s LYS 98 Cb 0.14 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1rgr s LYS 98 CO 0.81 -0.04 -0.17 0.96 -0.36 0.00 0.00 175.35 176.55 1rgr s ILE 99 N -1.48 2.52 0.14 5.43 -4.36 -1.26 -0.36 121.20 121.83 1rgr s ILE 99 Ca -0.15 -0.82 -0.30 0.00 -0.26 0.00 0.00 60.65 59.12 1rgr s ILE 99 Cb -0.10 -2.06 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 1rgr s ILE 99 CO -0.01 0.52 1.17 -0.63 0.24 0.00 0.00 174.94 176.23 1rgr s ILE 100 N 0.85 3.83 0.24 8.37 1.09 -0.35 -4.91 121.20 130.31 1rgr s ILE 100 Ca -0.05 1.46 -0.31 0.00 -1.10 0.00 0.00 60.65 60.66 1rgr s ILE 100 Cb -0.15 -3.94 -0.11 0.00 -1.06 0.00 0.00 42.46 37.20 1rgr s ILE 100 CO -0.01 0.20 1.58 -2.16 -0.10 0.00 0.00 174.94 174.44 1rgr s PRO 101 N 0.17 4.18 -0.06 2.79 0.04 -1.26 -1.63 135.00 139.22 1rgr s PRO 101 Ca 0.54 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1rgr s PRO 101 Cb -0.30 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1rgr s PRO 101 CO 0.34 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1rgr n GLY 102 N 2.91 0.46 3.93 0.56 0.00 -1.26 -5.07 105.19 106.72 1rgr n GLY 102 Ca 0.11 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1rgr n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rgr s GLY 103 N -2.19 1.67 0.13 -0.02 0.00 -0.65 -4.94 107.32 101.33 1rgr s GLY 103 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 1rgr s GLY 103 CO 0.00 -0.46 1.61 0.00 0.00 0.00 0.00 173.10 174.25 1rgr h ALA 104 N -0.76 0.54 -0.16 3.20 0.00 -1.30 -2.18 119.26 118.60 1rgr h ALA 104 Ca -0.44 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1rgr h ALA 104 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1rgr h ALA 104 CO 0.60 0.26 -0.28 0.00 0.00 0.00 0.00 179.25 179.82 1rgr h ALA 105 N 0.93 1.22 -0.60 0.00 0.00 -1.78 0.24 119.26 119.26 1rgr h ALA 105 Ca 0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1rgr h ALA 105 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1rgr h ALA 105 CO 0.01 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.83 1rgr h ALA 106 N 1.43 0.96 0.59 0.00 0.00 -1.73 -3.14 119.26 117.37 1rgr h ALA 106 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1rgr h ALA 106 Cb 0.65 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rgr h ALA 106 CO 0.05 0.64 -0.28 0.37 0.00 0.00 0.00 179.25 180.03 1rgr h GLN 107 N 0.94 -0.76 -0.53 0.00 4.15 -1.25 -3.38 115.11 114.27 1rgr h GLN 107 Ca 0.18 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.68 1rgr h GLN 107 Cb 0.47 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 1rgr h GLN 107 CO 0.02 -0.51 0.32 0.22 -1.93 0.00 0.00 178.83 176.95 1rgr h ASP 108 N -1.12 0.51 0.00 -0.69 1.82 -1.08 -3.48 116.42 112.38 1rgr h ASP 108 Ca -0.08 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1rgr h ASP 108 Cb 0.60 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1rgr h ASP 108 CO 0.13 0.36 0.00 0.61 -1.61 0.00 0.00 179.24 178.73 1rgr n GLY 109 N -1.25 1.44 2.43 -0.78 0.00 -1.18 -5.04 105.19 100.81 1rgr n GLY 109 Ca 0.04 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 0.44 -0.12 1.61 3.00 -1.26 -4.26 116.66 116.07 1rgr n ARG 110 Ca 0.00 -2.86 0.10 0.00 -0.01 0.00 0.00 57.85 55.08 1rgr n ARG 110 Cb 0.00 -1.50 0.31 0.00 0.00 0.00 0.00 32.46 31.27 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1rgr n LEU 111 N 2.37 1.95 0.00 0.55 -0.00 -1.26 -5.07 117.00 115.53 1rgr n LEU 111 Ca 0.24 -0.86 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 1rgr n LEU 111 Cb 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1rgr n LEU 111 CO 0.09 0.43 0.00 0.54 -0.00 0.00 0.00 177.39 178.45 1rgr n ARG 112 N 0.52 0.00 -0.01 1.47 1.74 -1.26 -4.60 116.66 114.52 1rgr n ARG 112 Ca 0.16 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1rgr n ARG 112 Cb 0.36 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1rgr n ARG 112 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1rgr n VAL 113 N -0.39 -0.02 0.00 1.55 0.24 -1.26 -4.90 118.33 113.56 1rgr n VAL 113 Ca 0.00 0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1rgr n VAL 113 Cb 0.00 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.49 0.00 0.00 -1.34 5.15 -1.20 -4.86 115.26 110.52 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 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -4.08 1.20 2.03 0.30 -4.12 116.55 111.88 1rgr n ASP 115 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1rgr n ASP 115 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 3.12 3.18 -4.57 1.67 7.64 -1.26 -1.46 113.62 121.95 1rgr n SER 116 Ca 0.00 -2.74 -0.40 0.00 1.01 0.00 0.00 58.87 56.74 1rgr n SER 116 Cb 0.00 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 61.70 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 6.73 3.35 -0.18 0.44 1.10 -0.93 -2.41 121.20 129.30 1rgr s ILE 117 Ca 0.59 0.28 -0.15 0.00 -0.51 0.00 0.00 60.65 60.86 1rgr s ILE 117 Cb 0.08 -3.69 -0.11 0.00 0.15 0.00 0.00 42.46 38.89 1rgr s ILE 117 CO 0.09 -0.59 -0.03 0.00 -2.11 0.00 0.00 174.94 172.31 1rgr n LEU 118 N 12.21 1.85 -4.35 8.50 -0.00 -0.51 -3.45 117.00 131.25 1rgr n LEU 118 Ca 0.24 0.51 -0.32 0.00 -0.00 0.00 0.00 56.01 56.44 1rgr n LEU 118 Cb 0.50 -0.90 -0.15 0.00 -0.00 0.00 0.00 43.42 42.87 1rgr n LEU 118 CO 0.70 -0.07 -0.53 -0.36 -0.00 0.00 0.00 177.39 177.13 1rgr s PHE 119 N -2.35 2.46 -0.18 1.47 0.40 -1.22 -1.90 117.98 116.67 1rgr s PHE 119 Ca -0.23 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1rgr s PHE 119 Cb 0.05 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 42.06 1rgr s PHE 119 CO 0.41 -0.01 -0.07 0.54 0.70 0.00 0.00 175.22 176.79 1rgr s VAL 120 N -0.54 1.31 0.00 -0.44 0.11 -0.34 -1.37 120.40 119.13 1rgr s VAL 120 Ca 0.07 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1rgr s VAL 120 Cb -0.11 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1rgr s VAL 120 CO 0.00 0.14 0.00 0.59 -3.33 0.00 0.00 175.10 172.50 1rgr n ASN 121 N 4.80 0.00 0.00 3.54 3.02 0.48 -2.22 115.26 124.89 1rgr n ASN 121 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1rgr n ASN 121 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 1.52 -1.84 3.52 1.02 -1.26 -4.99 120.64 118.61 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 -0.29 -0.02 0.00 -0.02 0.00 0.00 31.44 31.11 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 -0.57 2.21 -1.12 2.62 1.01 -0.94 -4.97 120.40 118.64 1rgr s VAL 123 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 1rgr s VAL 123 Cb 0.00 -3.12 0.28 0.00 0.00 0.00 0.00 36.38 33.54 1rgr s VAL 123 CO 0.00 0.03 1.48 -0.90 0.00 0.00 0.00 175.10 175.71 1rgr n ASP 124 N 2.00 6.02 0.00 3.32 5.75 -1.26 -1.20 116.55 131.18 1rgr n ASP 124 Ca 0.07 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1rgr n ASP 124 Cb 0.38 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1rgr n ASP 124 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1rgr n VAL 125 N 2.01 0.00 0.00 2.12 0.24 -0.80 -4.71 118.33 117.19 1rgr n VAL 125 Ca 0.28 0.55 0.00 0.00 -2.04 0.00 0.00 64.34 63.13 1rgr n VAL 125 Cb 0.35 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 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 -0.16 0.00 -1.73 7.34 -4.01 -1.05 -3.05 116.66 114.00 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1rgr n ARG 126 Cb 0.00 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1rgr n GLU 127 N 0.00 2.98 -4.21 2.89 1.02 -1.22 -1.37 120.64 120.73 1rgr n GLU 127 Ca 0.00 -2.63 -0.12 0.00 -0.02 0.00 0.00 57.16 54.39 1rgr n GLU 127 Cb 0.00 -3.22 -0.10 0.00 -0.02 0.00 0.00 31.44 28.10 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 2.92 0.11 0.30 2.62 0.11 -1.17 -4.96 120.40 120.32 1rgr s VAL 128 Ca 0.48 -1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.25 1rgr s VAL 128 Cb 0.14 -2.45 -0.11 0.00 -1.53 0.00 0.00 36.38 32.42 1rgr s VAL 128 CO -0.08 -0.07 1.61 -0.89 -3.33 0.00 0.00 175.10 172.34 1rgr s THR 129 N -4.08 2.02 0.43 5.04 2.01 -1.26 -1.21 115.64 118.59 1rgr s THR 129 Ca 0.37 0.02 0.26 0.00 0.31 0.00 0.00 61.69 62.64 1rgr s THR 129 Cb 0.07 -3.01 0.45 0.00 0.01 0.00 0.00 72.50 70.03 1rgr s THR 129 CO 0.11 0.00 1.72 1.12 -0.69 0.00 0.00 174.62 176.88 1rgr h HIS 130 N 4.81 0.51 -0.58 4.92 2.07 -1.89 -2.44 115.15 122.54 1rgr h HIS 130 Ca -0.47 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.22 -0.14 -0.03 0.00 2.57 0.00 0.00 27.41 31.03 1rgr h HIS 130 CO 0.58 -0.05 0.26 0.77 -3.07 0.00 0.00 177.93 176.43 1rgr h SER 131 N 0.22 0.78 -0.49 3.10 0.02 -1.98 0.33 113.55 115.52 1rgr h SER 131 Ca 0.68 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.43 1rgr h SER 131 Cb 2.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 1rgr h SER 131 CO -0.30 0.71 0.11 0.00 -1.14 0.00 0.00 176.83 176.20 1rgr h ALA 132 N 1.10 1.16 0.05 3.77 0.00 -1.83 -2.66 119.26 120.85 1rgr h ALA 132 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rgr h ALA 132 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rgr h ALA 132 CO -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 1rgr h ALA 133 N 1.30 -0.07 -0.84 0.00 0.00 -1.47 -0.60 119.26 117.59 1rgr h ALA 133 Ca 0.17 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1rgr h ALA 133 Cb 0.34 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1rgr h ALA 133 CO 0.00 -0.30 0.43 -0.24 0.00 0.00 0.00 179.25 179.15 1rgr h VAL 134 N -0.55 0.72 -0.17 0.00 3.04 -1.03 0.09 116.25 118.37 1rgr h VAL 134 Ca -0.01 -0.21 -0.20 0.00 -1.01 0.00 0.00 66.70 65.27 1rgr h VAL 134 Cb 0.49 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1rgr h VAL 134 CO 0.01 0.11 -0.70 -0.33 -1.01 0.00 0.00 177.57 175.65 1rgr h GLU 135 N 0.61 0.70 -0.25 4.17 4.39 -1.55 -2.76 114.58 119.90 1rgr h GLU 135 Ca 0.46 -0.53 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1rgr h GLU 135 Cb 0.65 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1rgr h GLU 135 CO -0.36 1.15 -0.18 0.00 -1.16 0.00 0.00 179.01 178.46 1rgr h ALA 136 N 0.71 1.22 -0.29 3.43 0.00 -0.74 0.34 119.26 123.93 1rgr h ALA 136 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1rgr h ALA 136 Cb 1.31 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1rgr h ALA 136 CO 0.14 0.50 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1rgr h LEU 137 N 0.40 -0.10 -0.80 0.00 4.07 -1.05 -1.31 115.31 116.53 1rgr h LEU 137 Ca 0.07 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.98 1rgr h LEU 137 Cb 0.55 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1rgr h LEU 137 CO 0.04 -0.02 -0.29 0.11 -1.08 0.00 0.00 178.44 177.20 1rgr h LYS 138 N 0.09 0.58 0.00 1.13 1.57 -1.38 -3.23 116.57 115.34 1rgr h LYS 138 Ca 0.14 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1rgr h LYS 138 Cb 0.18 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rgr h LYS 138 CO -0.23 0.81 -0.02 1.49 -0.57 0.00 0.00 179.45 180.93 1rgr h GLU 139 N 0.50 0.00 0.00 3.15 4.57 -0.23 -2.68 114.58 119.90 1rgr h GLU 139 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1rgr h GLU 139 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1rgr h GLU 139 CO 0.06 0.02 0.21 0.00 -1.18 0.00 0.00 179.01 178.12 1rgr n ALA 140 N -2.12 0.65 -0.00 2.92 0.00 -0.50 -4.97 120.51 116.49 1rgr n ALA 140 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1rgr n ALA 140 Cb 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.31 0.09 0.00 0.00 0.00 -1.01 -3.38 105.19 99.57 1rgr n GLY 141 Ca -0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 3.01 0.00 -3.46 1.61 7.64 -1.26 -4.65 113.62 116.51 1rgr n SER 142 Ca 0.00 -0.08 -0.17 0.00 1.01 0.00 0.00 58.87 59.62 1rgr n SER 142 Cb 0.00 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 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 -2.45 -0.36 -0.35 0.44 -0.00 -1.22 -0.82 121.20 116.44 1rgr s ILE 143 Ca 0.18 -0.20 -0.18 0.00 -0.00 0.00 0.00 60.65 60.45 1rgr s ILE 143 Cb 0.12 -0.76 -0.00 0.00 -0.00 0.00 0.00 42.46 41.81 1rgr s ILE 143 CO 0.25 -0.26 0.51 -0.69 -0.00 0.00 0.00 174.94 174.75 1rgr s VAL 144 N 2.35 5.01 -0.73 8.37 1.01 0.11 -4.79 120.40 131.74 1rgr s VAL 144 Ca 0.08 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1rgr s VAL 144 Cb -0.15 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1rgr s VAL 144 CO -0.17 -0.22 0.77 -0.13 0.00 0.00 0.00 175.10 175.35 1rgr s ARG 145 N 2.40 3.33 -0.12 2.72 0.52 -1.26 -0.90 118.95 125.63 1rgr s ARG 145 Ca 0.19 -1.85 -0.08 0.00 -0.52 0.00 0.00 55.73 53.47 1rgr s ARG 145 Cb -0.15 -4.44 -0.04 0.00 0.52 0.00 0.00 34.95 30.83 1rgr s ARG 145 CO 0.13 -1.47 0.16 -0.51 0.02 0.00 0.00 175.30 173.63 1rgr s LEU 146 N 1.66 4.37 -0.16 2.53 1.43 0.84 -0.38 118.68 128.97 1rgr s LEU 146 Ca 0.16 0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1rgr s LEU 146 Cb -0.17 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 43.99 1rgr s LEU 146 CO -0.02 0.38 -0.06 -0.31 0.23 0.00 0.00 176.35 176.57 1rgr s TYR 147 N -0.87 1.73 -0.10 0.29 2.02 -0.47 -0.90 117.35 119.05 1rgr s TYR 147 Ca 0.15 -1.08 0.03 0.00 -0.37 0.00 0.00 57.07 55.80 1rgr s TYR 147 Cb -0.12 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1rgr s TYR 147 CO 0.04 -0.61 -0.21 0.54 -1.57 0.00 0.00 175.55 173.74 1rgr s VAL 148 N 1.63 1.82 0.20 0.71 0.11 -0.74 -1.42 120.40 122.70 1rgr s VAL 148 Ca 0.01 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 58.09 1rgr s VAL 148 Cb -0.15 -1.60 -0.07 0.00 -1.53 0.00 0.00 36.38 33.03 1rgr s VAL 148 CO -0.08 0.51 0.53 -0.32 -3.33 0.00 0.00 175.10 172.40 1rgr s MET 149 N 0.50 3.82 -0.35 1.54 1.75 -1.01 -1.02 119.30 124.53 1rgr s MET 149 Ca -0.16 0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.41 1rgr s MET 149 Cb -0.17 -2.74 -0.01 0.00 2.84 0.00 0.00 34.83 34.75 1rgr s MET 149 CO 0.06 0.38 0.34 1.03 -0.65 0.00 0.00 175.02 176.18 1rgr s ARG 150 N -2.58 3.46 0.08 4.11 0.52 -0.34 -4.12 118.95 120.09 1rgr s ARG 150 Ca 0.44 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 55.00 1rgr s ARG 150 Cb -0.12 -3.83 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 1rgr s ARG 150 CO 0.21 -0.56 0.43 0.50 0.02 0.00 0.00 175.30 175.91 1rgr s ARG 151 N 1.95 3.83 -0.49 3.54 6.06 -1.26 -4.02 118.95 128.56 1rgr s ARG 151 Ca 0.10 0.28 -0.19 0.00 -2.50 0.00 0.00 55.73 53.42 1rgr s ARG 151 Cb -0.17 -3.02 0.05 0.00 0.06 0.00 0.00 34.95 31.87 1rgr s ARG 151 CO 0.12 0.56 0.62 -1.59 -2.50 0.00 0.00 175.30 172.51 1rgr s LYS 152 N -1.79 3.15 0.23 5.12 -2.85 -1.26 -5.02 119.74 117.33 1rgr s LYS 152 Ca 0.33 -0.79 -0.06 0.00 -1.00 0.00 0.00 55.97 54.44 1rgr s LYS 152 Cb -0.15 -4.07 0.41 0.00 -2.06 0.00 0.00 37.83 31.97 1rgr s LYS 152 CO 0.18 -1.18 1.69 -1.35 0.10 0.00 0.00 175.35 174.79 1rgr h PRO 153 N 8.97 0.26 0.00 1.78 0.11 -2.06 -3.55 132.00 137.51 1rgr h PRO 153 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1rgr h PRO 153 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1rgr h PRO 153 CO 0.95 0.17 0.00 -2.30 -0.21 0.00 0.00 178.00 176.61