#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p h GLN 2 N 0.00 0.56 -1.44 2.12 1.08 -1.83 -0.90 115.11 114.70 3i1p h GLN 2 Ca 0.00 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3i1p h GLN 2 Cb 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3i1p h GLN 2 CO 0.00 1.04 0.00 1.33 -0.95 0.00 0.00 178.83 180.25 3i1p n VAL 3 N -4.23 0.00 -3.47 -0.54 0.24 -1.26 -2.77 118.33 106.30 3i1p n VAL 3 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 3i1p n VAL 3 Cb 0.58 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.61 3i1p n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1p s ILE 4 N 0.00 5.05 0.87 1.34 1.01 0.03 -3.78 121.20 125.71 3i1p s ILE 4 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 3i1p s ILE 4 Cb 0.00 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.94 3i1p s ILE 4 CO 0.00 -0.17 1.21 -0.76 0.00 0.00 0.00 174.94 175.23 3i1p s LEU 5 N -3.15 2.72 0.00 2.97 1.43 -0.91 0.14 118.68 121.88 3i1p s LEU 5 Ca 0.44 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3i1p s LEU 5 Cb -0.11 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3i1p s LEU 5 CO 0.26 -2.30 0.06 0.18 0.23 0.00 0.00 176.35 174.78 3i1p n LEU 6 N -3.44 0.13 0.00 1.79 4.32 0.15 -4.34 117.00 115.61 3i1p n LEU 6 Ca 0.13 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3i1p n LEU 6 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 3i1p n LEU 6 CO 0.48 0.03 0.00 0.47 -1.22 0.00 0.00 177.39 177.16 3i1p n ASP 7 N -0.11 0.00 -0.00 -1.43 8.00 -1.23 -4.90 116.55 116.88 3i1p n ASP 7 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i1p n ASP 7 Cb 0.10 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3i1p n ASP 7 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3i1p n LYS 8 N 0.00 3.62 -1.36 -1.24 -0.00 -1.26 -2.70 118.16 115.22 3i1p n LYS 8 Ca 0.00 -0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.47 3i1p n LYS 8 Cb 0.00 -1.00 -0.09 0.00 -0.00 0.00 0.00 35.03 33.94 3i1p n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1p n VAL 9 N -1.96 -0.87 0.00 0.58 0.31 -1.26 -4.37 118.33 110.76 3i1p n VAL 9 Ca -0.00 0.89 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 3i1p n VAL 9 Cb 0.46 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3i1p n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1p n ALA 10 N -4.16 0.00 -0.16 3.52 0.00 -1.26 -4.53 120.51 113.92 3i1p n ALA 10 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3i1p n ALA 10 Cb 0.65 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.27 3i1p n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1p n ASN 11 N 0.00 3.58 -3.63 0.00 3.02 -1.26 -4.83 115.26 112.14 3i1p n ASN 11 Ca 0.00 -2.69 -0.12 0.00 -0.03 0.00 0.00 54.58 51.73 3i1p n ASN 11 Cb 0.00 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.46 3i1p n ASN 11 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3i1p s LEU 12 N -1.70 -0.61 0.00 3.41 0.05 -1.26 -5.15 118.68 113.42 3i1p s LEU 12 Ca 0.32 1.15 0.00 0.00 0.05 0.00 0.00 54.13 55.65 3i1p s LEU 12 Cb 0.25 2.22 0.00 0.00 -2.05 0.00 0.00 46.19 46.61 3i1p s LEU 12 CO 0.08 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.26 3i1p n GLY 13 N 2.36 -1.15 2.60 -3.48 0.00 -1.26 -4.68 105.19 99.57 3i1p n GLY 13 Ca -0.13 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 3i1p n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1p s SER 14 N -1.47 3.40 -0.82 1.61 0.01 -1.26 -4.67 113.70 110.49 3i1p s SER 14 Ca 0.00 -2.24 -0.02 0.00 1.31 0.00 0.00 55.95 55.00 3i1p s SER 14 Cb 0.00 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 3i1p s SER 14 CO 0.00 -0.31 0.75 0.18 0.41 0.00 0.00 173.24 174.27 3i1p n LEU 15 N 4.02 -6.33 -0.80 2.44 7.99 -1.10 -4.30 117.00 118.92 3i1p n LEU 15 Ca 0.08 -0.26 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 3i1p n LEU 15 Cb 0.37 -3.23 0.00 0.00 -0.11 0.00 0.00 43.42 40.45 3i1p n LEU 15 CO 0.17 -0.77 0.00 0.61 -1.51 0.00 0.00 177.39 175.89 3i1p n GLY 16 N -1.64 0.60 3.59 -0.72 0.00 -1.24 -5.01 105.19 100.77 3i1p n GLY 16 Ca -0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 3i1p n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1p s ASP 17 N -2.48 4.33 -0.68 1.61 1.01 -1.26 -4.78 116.67 114.42 3i1p s ASP 17 Ca 0.00 -0.58 -0.17 0.00 0.71 0.00 0.00 52.55 52.51 3i1p s ASP 17 Cb 0.00 -0.76 0.14 0.00 1.01 0.00 0.00 42.92 43.32 3i1p s ASP 17 CO 0.00 0.09 0.71 -1.58 0.21 0.00 0.00 175.17 174.60 3i1p s GLN 18 N -2.98 3.24 -0.09 8.23 0.74 -1.26 -2.14 119.66 125.40 3i1p s GLN 18 Ca 0.26 -1.77 -0.01 0.00 0.05 0.00 0.00 55.36 53.89 3i1p s GLN 18 Cb -0.08 -4.39 -0.03 0.00 1.10 0.00 0.00 33.01 29.61 3i1p s GLN 18 CO 0.16 -1.45 -0.04 0.14 -0.55 0.00 0.00 175.29 173.56 3i1p s VAL 19 N 1.74 3.95 -0.35 1.34 -7.23 -1.12 -4.99 120.40 113.75 3i1p s VAL 19 Ca 0.13 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 3i1p s VAL 19 Cb -0.20 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3i1p s VAL 19 CO -0.00 0.58 1.35 0.21 -0.31 0.00 0.00 175.10 176.94 3i1p s ASN 20 N -0.65 6.52 0.35 4.85 3.04 -1.26 -4.38 114.94 123.42 3i1p s ASN 20 Ca 0.10 1.05 0.06 0.00 0.04 0.00 0.00 52.86 54.11 3i1p s ASN 20 Cb -0.12 -2.54 -0.07 0.00 -1.54 0.00 0.00 41.25 36.99 3i1p s ASN 20 CO 0.02 -1.24 -0.01 0.54 -3.04 0.00 0.00 177.10 173.38 3i1p s VAL 21 N 4.84 1.76 0.37 -5.21 0.11 -0.34 -5.01 120.40 116.92 3i1p s VAL 21 Ca 0.59 -2.06 -0.07 0.00 -2.93 0.00 0.00 61.98 57.51 3i1p s VAL 21 Cb -0.15 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.86 3i1p s VAL 21 CO 0.27 -0.09 0.68 -1.59 -3.33 0.00 0.00 175.10 171.05 3i1p s LYS 22 N -3.75 3.67 0.00 1.54 -2.85 -1.26 -3.96 119.74 113.14 3i1p s LYS 22 Ca 0.34 0.21 0.03 0.00 -1.00 0.00 0.00 55.97 55.55 3i1p s LYS 22 Cb 0.07 -2.50 0.18 0.00 -2.06 0.00 0.00 37.83 33.53 3i1p s LYS 22 CO 0.16 0.04 0.59 0.00 0.10 0.00 0.00 175.35 176.24 3i1p n ALA 23 N -1.36 1.63 -0.09 0.59 0.00 -1.26 -3.55 120.51 116.48 3i1p n ALA 23 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i1p n ALA 23 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3i1p n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 24 N -0.69 -0.43 0.08 0.00 0.00 -1.26 -4.38 105.19 98.51 3i1p n GLY 24 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3i1p n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i1p n TYR 25 N -2.15 -0.08 -2.51 1.61 4.19 -1.23 -2.32 117.16 114.66 3i1p n TYR 25 Ca 0.00 0.23 -0.38 0.00 3.31 0.00 0.00 57.90 61.06 3i1p n TYR 25 Cb 0.00 -0.36 -0.04 0.00 0.49 0.00 0.00 39.34 39.43 3i1p n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i1p s ALA 26 N -4.26 3.20 -0.95 2.98 0.00 -1.25 0.57 121.76 122.05 3i1p s ALA 26 Ca -0.02 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3i1p s ALA 26 Cb 0.02 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3i1p s ALA 26 CO 0.12 -0.21 0.00 -2.13 0.00 0.00 0.00 175.76 173.53 3i1p n ARG 27 N 0.37 -0.63 0.00 0.00 3.00 -1.25 -4.64 116.66 113.51 3i1p n ARG 27 Ca 0.03 0.81 0.00 0.00 -0.00 0.00 0.00 57.85 58.69 3i1p n ARG 27 Cb 0.48 -4.69 0.00 0.00 0.00 0.00 0.00 32.46 28.25 3i1p n ARG 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i1p n ASN 28 N 0.55 0.00 0.04 6.15 5.03 -0.98 -4.95 115.26 121.10 3i1p n ASN 28 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 3i1p n ASN 28 Cb 0.30 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 3i1p n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3i1p n PHE 29 N -0.40 -0.87 0.04 3.10 7.35 0.19 -4.76 117.46 122.12 3i1p n PHE 29 Ca 0.00 0.15 0.22 0.00 -0.76 0.00 0.00 57.45 57.05 3i1p n PHE 29 Cb 0.00 0.59 0.73 0.00 0.35 0.00 0.00 39.48 41.15 3i1p n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i1p h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -1.24 0.24 115.31 115.56 3i1p h LEU 30 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3i1p h LEU 30 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3i1p h LEU 30 CO 0.00 0.00 -1.62 0.52 0.09 0.00 0.00 178.44 177.43 3i1p n VAL 31 N -3.80 1.51 0.30 1.22 0.31 -1.26 0.13 118.33 116.73 3i1p n VAL 31 Ca 0.09 -0.09 0.19 0.00 -0.01 0.00 0.00 64.34 64.51 3i1p n VAL 31 Cb 0.69 -2.11 0.85 0.00 -0.91 0.00 0.00 33.84 32.36 3i1p n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3i1p h PRO 32 N -1.00 0.00 -0.58 5.55 0.11 -1.83 -0.84 132.00 133.42 3i1p h PRO 32 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3i1p h PRO 32 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i1p h PRO 32 CO -0.21 0.01 0.00 0.94 -0.21 0.00 0.00 178.00 178.53 3i1p n GLN 33 N -3.12 4.44 -3.66 1.05 -0.06 0.06 -4.98 117.38 111.11 3i1p n GLN 33 Ca -0.01 -3.07 -0.22 0.00 -2.00 0.00 0.00 57.00 51.71 3i1p n GLN 33 Cb 0.23 -2.13 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 3i1p n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i1p n GLY 34 N 0.69 -1.25 0.00 1.69 0.00 -0.32 -4.90 105.19 101.10 3i1p n GLY 34 Ca 0.27 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3i1p n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 35 N -2.73 3.70 -3.60 1.61 4.76 0.12 -4.88 118.16 117.14 3i1p n LYS 35 Ca -0.23 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.15 3i1p n LYS 35 Cb 0.64 -0.33 -0.02 0.00 -1.84 0.00 0.00 35.03 33.48 3i1p n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1p s ALA 36 N -0.53 -1.99 -0.04 7.82 0.00 0.10 -0.67 121.76 126.45 3i1p s ALA 36 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.11 3i1p s ALA 36 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3i1p s ALA 36 CO 0.00 -0.77 -0.25 0.54 0.00 0.00 0.00 175.76 175.28 3i1p s VAL 37 N -2.71 2.00 0.08 0.00 0.11 0.37 -4.46 120.40 115.80 3i1p s VAL 37 Ca 0.10 -1.06 -0.31 0.00 -2.93 0.00 0.00 61.98 57.78 3i1p s VAL 37 Cb 0.00 -1.68 -0.10 0.00 -1.53 0.00 0.00 36.38 33.07 3i1p s VAL 37 CO -0.05 0.56 1.90 -2.65 -3.33 0.00 0.00 175.10 171.54 3i1p n PRO 38 N 2.73 2.81 -0.86 1.54 -0.02 -1.26 -0.79 135.00 139.15 3i1p n PRO 38 Ca -0.17 1.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.95 3i1p n PRO 38 Cb 0.52 -2.95 -0.10 0.00 -0.02 0.00 0.00 33.50 30.94 3i1p n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p n ALA 39 N 6.52 1.27 1.70 3.55 0.00 -1.26 -4.65 120.51 127.64 3i1p n ALA 39 Ca 0.19 -2.76 0.07 0.00 0.00 0.00 0.00 53.44 50.94 3i1p n ALA 39 Cb 0.39 -3.66 0.33 0.00 0.00 0.00 0.00 19.45 16.51 3i1p n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1p n THR 40 N 7.15 0.10 0.00 0.00 -2.24 -1.26 -4.86 114.28 113.17 3i1p n THR 40 Ca 0.47 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 3i1p n THR 40 Cb 0.43 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3i1p n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1p n LYS 41 N -0.32 0.00 -0.33 -0.78 5.02 -1.26 -4.35 118.16 116.14 3i1p n LYS 41 Ca 0.11 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 3i1p n LYS 41 Cb 0.13 -0.23 0.21 0.00 -0.02 0.00 0.00 35.03 35.13 3i1p n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1p h LYS 42 N 0.00 0.87 0.00 1.97 3.64 -1.95 -1.95 116.57 119.15 3i1p h LYS 42 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3i1p h LYS 42 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3i1p h LYS 42 CO 0.00 0.58 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.76 3i1p h ASN 43 N 0.90 0.00 -0.27 4.20 2.35 -1.90 -3.31 115.58 117.54 3i1p h ASN 43 Ca 0.46 -0.76 0.08 0.00 -0.55 0.00 0.00 56.30 55.52 3i1p h ASN 43 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3i1p h ASN 43 CO -0.26 0.93 0.52 0.16 -1.65 0.00 0.00 177.43 177.13 3i1p h ILE 44 N -1.00 0.16 0.34 2.81 3.07 -1.87 0.35 117.51 121.37 3i1p h ILE 44 Ca -0.02 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.37 3i1p h ILE 44 Cb 0.82 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 3i1p h ILE 44 CO -0.01 0.00 -0.16 -0.08 -1.05 0.00 0.00 178.15 176.84 3i1p h GLU 45 N 0.00 -0.44 -1.14 0.16 4.57 -1.46 0.10 114.58 116.37 3i1p h GLU 45 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3i1p h GLU 45 Cb 1.17 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3i1p h GLU 45 CO -0.00 -0.13 0.00 0.34 -1.18 0.00 0.00 179.01 178.04 3i1p n PHE 46 N -5.09 0.00 0.03 0.92 -0.00 0.12 -1.66 117.46 111.78 3i1p n PHE 46 Ca -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 3i1p n PHE 46 Cb 0.26 -0.19 0.00 0.00 -0.00 0.00 0.00 39.48 39.55 3i1p n PHE 46 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i1p n PHE 47 N 0.52 -0.45 -0.01 -5.13 3.72 -0.76 -4.67 117.46 110.68 3i1p n PHE 47 Ca 0.00 0.08 -0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3i1p n PHE 47 Cb 0.36 0.29 0.29 0.00 -0.94 0.00 0.00 39.48 39.47 3i1p n PHE 47 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3i1p h GLU 48 N 0.00 0.55 -0.92 -1.08 4.22 -0.73 0.22 114.58 116.84 3i1p h GLU 48 Ca 0.00 -0.12 0.03 0.00 0.08 0.00 0.00 59.36 59.35 3i1p h GLU 48 Cb 0.32 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3i1p h GLU 48 CO 0.00 0.57 0.60 0.00 -2.18 0.00 0.00 179.01 178.00 3i1p h ALA 49 N 1.48 1.19 -0.06 2.92 0.00 -1.52 -2.83 119.26 120.45 3i1p h ALA 49 Ca 0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3i1p h ALA 49 Cb 0.34 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i1p h ALA 49 CO 0.01 0.50 -0.80 -0.09 0.00 0.00 0.00 179.25 178.86 3i1p h ARG 50 N 1.19 0.43 0.00 0.00 9.65 -1.48 0.35 114.38 124.52 3i1p h ARG 50 Ca 0.35 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3i1p h ARG 50 Cb -0.05 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3i1p h ARG 50 CO -0.10 1.04 0.20 0.00 2.80 0.00 0.00 179.97 183.90 3i1p h ARG 51 N 0.28 0.00 0.00 0.20 3.08 -0.75 0.19 114.38 117.38 3i1p h ARG 51 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i1p h ARG 51 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3i1p h ARG 51 CO 0.14 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 3i1p n ALA 52 N -1.79 1.52 -1.67 0.04 0.00 -1.04 -4.69 120.51 112.88 3i1p n ALA 52 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3i1p n ALA 52 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3i1p n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1p n GLU 53 N -0.13 0.00 0.00 0.00 0.00 0.12 -3.52 120.64 117.11 3i1p n GLU 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i1p n GLU 53 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.65 3i1p n GLU 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3i1p n LEU 54 N 0.00 0.00 0.00 4.31 -0.00 -1.24 0.08 117.00 120.15 3i1p n LEU 54 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 3i1p n LEU 54 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 3i1p n LEU 54 CO 0.00 -0.34 0.09 1.21 -0.00 0.00 0.00 177.39 178.35 3i1p n GLU 55 N -1.33 0.00 0.07 1.47 4.07 -1.23 -3.96 120.64 119.72 3i1p n GLU 55 Ca 0.00 0.42 0.13 0.00 -0.06 0.00 0.00 57.16 57.65 3i1p n GLU 55 Cb 0.10 -1.01 0.48 0.00 -0.06 0.00 0.00 31.44 30.95 3i1p n GLU 55 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1p n ALA 56 N -1.76 2.29 1.51 4.31 0.00 -0.92 -2.78 120.51 123.18 3i1p n ALA 56 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3i1p n ALA 56 Cb 0.00 -1.47 0.79 0.00 0.00 0.00 0.00 19.45 18.77 3i1p n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1p n LYS 57 N -2.01 0.53 -0.10 0.00 -0.00 0.11 -3.63 118.16 113.07 3i1p n LYS 57 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.20 3i1p n LYS 57 Cb 0.40 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.87 3i1p n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1p n LEU 58 N -1.23 1.79 0.17 -5.58 7.94 -1.12 -4.35 117.00 114.63 3i1p n LEU 58 Ca 0.16 0.30 0.19 0.00 -1.11 0.00 0.00 56.01 55.55 3i1p n LEU 58 Cb 0.21 -0.71 0.79 0.00 0.53 0.00 0.00 43.42 44.24 3i1p n LEU 58 CO 0.22 0.10 1.16 0.00 -1.11 0.00 0.00 177.39 177.76 3i1p h ALA 59 N -0.89 1.86 -1.32 1.96 0.00 -1.69 -1.61 119.26 117.57 3i1p h ALA 59 Ca -0.32 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.91 3i1p h ALA 59 Cb 1.22 0.02 -0.35 0.00 0.00 0.00 0.00 17.79 18.68 3i1p h ALA 59 CO -0.19 -0.50 0.07 0.39 0.00 0.00 0.00 179.25 179.02 3i1p n GLU 60 N -3.53 3.18 0.00 0.00 4.71 -1.24 -3.31 120.64 120.45 3i1p n GLU 60 Ca 0.04 -4.10 0.00 0.00 -0.01 0.00 0.00 57.16 53.08 3i1p n GLU 60 Cb 0.50 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 3i1p n GLU 60 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i1p n VAL 61 N -0.49 0.00 0.00 2.62 3.14 -0.63 -4.96 118.33 118.00 3i1p n VAL 61 Ca 0.45 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.83 3i1p n VAL 61 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3i1p n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1p n LEU 62 N -2.38 1.71 0.00 6.55 -0.00 -1.05 -4.49 117.00 117.34 3i1p n LEU 62 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 3i1p n LEU 62 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.56 3i1p n LEU 62 CO 0.00 0.27 0.33 0.00 -0.00 0.00 0.00 177.39 177.98 3i1p n ALA 63 N -2.60 1.83 1.02 1.47 0.00 -1.19 -0.29 120.51 120.75 3i1p n ALA 63 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3i1p n ALA 63 Cb 0.45 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 3i1p n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 64 N -0.74 4.05 -0.04 0.00 0.00 -1.21 -4.13 120.51 118.44 3i1p n ALA 64 Ca 0.04 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.04 3i1p n ALA 64 Cb 0.02 -0.83 0.57 0.00 0.00 0.00 0.00 19.45 19.20 3i1p n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 65 N 3.42 2.18 -2.01 0.00 0.00 -0.91 -3.46 119.26 118.48 3i1p h ALA 65 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i1p h ALA 65 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i1p h ALA 65 CO 0.00 -0.32 -0.02 -1.71 0.00 0.00 0.00 179.25 177.20 3i1p n ASN 66 N -4.45 -0.09 -0.29 0.00 4.05 -1.26 -4.64 115.26 108.58 3i1p n ASN 66 Ca 0.09 -0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.14 3i1p n ASN 66 Cb 0.45 -0.03 -0.01 0.00 1.23 0.00 0.00 39.78 41.42 3i1p n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1p n ALA 67 N 0.03 -0.76 -2.82 5.20 0.00 -1.26 -4.68 120.51 116.21 3i1p n ALA 67 Ca -0.00 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 3i1p n ALA 67 Cb 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 19.45 18.97 3i1p n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1p n ARG 68 N -2.07 4.95 0.00 0.00 0.00 -1.26 -4.78 116.66 113.50 3i1p n ARG 68 Ca -0.01 -4.62 0.10 0.00 -0.00 0.00 0.00 57.85 53.33 3i1p n ARG 68 Cb 0.11 -2.49 0.46 0.00 0.00 0.00 0.00 32.46 30.55 3i1p n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1p n ALA 69 N 0.61 1.98 0.06 5.13 0.00 -1.26 -3.22 120.51 123.81 3i1p n ALA 69 Ca 0.36 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 3i1p n ALA 69 Cb 0.30 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3i1p n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1p h GLU 70 N 0.00 0.46 -3.33 0.00 4.39 -1.98 -3.38 114.58 110.75 3i1p h GLU 70 Ca 0.00 -0.48 -0.69 0.00 0.34 0.00 0.00 59.36 58.53 3i1p h GLU 70 Cb 0.38 0.13 -0.36 0.00 -0.10 0.00 0.00 28.75 28.80 3i1p h GLU 70 CO 0.00 1.13 -0.19 0.15 -1.16 0.00 0.00 179.01 178.94 3i1p s LYS 71 N -3.32 3.08 0.00 2.33 3.01 -1.20 -4.38 119.74 119.27 3i1p s LYS 71 Ca -0.06 -3.18 0.00 0.00 -1.01 0.00 0.00 55.97 51.71 3i1p s LYS 71 Cb 0.09 -3.86 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 3i1p s LYS 71 CO 0.87 -1.25 0.00 1.51 0.51 0.00 0.00 175.35 176.99 3i1p n ILE 72 N 2.45 0.00 0.23 2.17 0.13 -1.26 -4.92 119.36 118.17 3i1p n ILE 72 Ca 0.19 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.75 3i1p n ILE 72 Cb 0.37 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.13 3i1p n ILE 72 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 3i1p h ASN 73 N 0.00 -0.51 0.00 9.51 -1.24 -1.76 -1.63 115.58 119.95 3i1p h ASN 73 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3i1p h ASN 73 Cb 0.00 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.18 3i1p h ASN 73 CO 0.00 -0.36 0.00 0.00 -1.29 0.00 0.00 177.43 175.78 3i1p n ALA 74 N -2.30 2.38 -0.56 1.57 0.00 -1.26 -4.97 120.51 115.36 3i1p n ALA 74 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i1p n ALA 74 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3i1p n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1p n LEU 75 N -0.46 0.00 0.00 0.00 4.32 -0.61 -4.64 117.00 115.61 3i1p n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1p n LEU 75 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3i1p n LEU 75 CO 0.00 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.38 3i1p n GLU 76 N 12.61 0.00 -1.00 3.23 0.00 -1.26 -4.04 120.64 130.19 3i1p n GLU 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 3i1p n GLU 76 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.51 3i1p n GLU 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i1p n THR 77 N 0.00 0.32 -3.28 6.31 -2.24 -1.26 -4.59 114.28 109.53 3i1p n THR 77 Ca 0.00 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 3i1p n THR 77 Cb 0.00 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 3i1p n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i1p s VAL 78 N -2.12 5.04 -0.77 2.28 1.01 -1.26 -4.57 120.40 120.01 3i1p s VAL 78 Ca 0.52 0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.72 3i1p s VAL 78 Cb -0.25 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 3i1p s VAL 78 CO 0.72 -0.29 0.66 0.35 0.00 0.00 0.00 175.10 176.53 3i1p n THR 79 N 5.44 0.00 -2.81 3.92 -2.24 -1.18 -4.32 114.28 113.09 3i1p n THR 79 Ca -0.06 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 3i1p n THR 79 Cb 0.48 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 3i1p n THR 79 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i1p s ILE 80 N -2.39 4.34 -0.01 2.28 1.10 -1.26 -4.98 121.20 120.29 3i1p s ILE 80 Ca 0.06 1.59 -0.30 0.00 -0.51 0.00 0.00 60.65 61.49 3i1p s ILE 80 Cb 0.12 -3.73 -0.07 0.00 0.15 0.00 0.00 42.46 38.92 3i1p s ILE 80 CO 0.60 -0.17 1.85 0.00 -2.11 0.00 0.00 174.94 175.11 3i1p s ALA 81 N -2.00 3.57 -0.17 1.50 0.00 -1.26 -4.87 121.76 118.53 3i1p s ALA 81 Ca 0.58 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.64 3i1p s ALA 81 Cb -0.12 -3.81 -0.23 0.00 0.00 0.00 0.00 23.12 18.96 3i1p s ALA 81 CO 0.16 -1.54 0.16 0.45 0.00 0.00 0.00 175.76 174.99 3i1p n SER 82 N 7.51 2.07 -0.78 0.00 2.88 -1.26 -4.99 113.62 119.04 3i1p n SER 82 Ca 0.19 0.12 0.05 0.00 -1.33 0.00 0.00 58.87 57.90 3i1p n SER 82 Cb 0.42 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 3i1p n SER 82 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3i1p n LYS 83 N -3.48 -1.91 0.00 -1.46 4.81 -1.26 -4.95 118.16 109.90 3i1p n LYS 83 Ca -0.37 1.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.60 3i1p n LYS 83 Cb 1.01 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 34.01 3i1p n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1p n ALA 84 N -2.73 2.73 -0.91 3.14 0.00 -1.25 -4.50 120.51 116.99 3i1p n ALA 84 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3i1p n ALA 84 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3i1p n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 85 N 2.60 -1.89 1.90 0.00 0.00 -1.26 -3.12 105.19 103.42 3i1p n GLY 85 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3i1p n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1p n ASP 86 N -3.23 -0.60 -3.53 1.61 5.75 -1.26 -1.49 116.55 113.80 3i1p n ASP 86 Ca -0.00 0.30 -0.19 0.00 -0.01 0.00 0.00 54.79 54.88 3i1p n ASP 86 Cb 0.42 -0.80 0.06 0.00 -1.03 0.00 0.00 41.12 39.77 3i1p n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i1p n GLU 87 N -1.90 -4.99 0.00 0.11 -0.58 -1.26 -4.84 120.64 107.18 3i1p n GLU 87 Ca 0.00 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 3i1p n GLU 87 Cb 0.30 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 3i1p n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1p n GLY 88 N -1.36 -0.38 0.00 0.62 0.00 -0.55 -5.13 105.19 98.39 3i1p n GLY 88 Ca -0.25 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3i1p n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 89 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.67 118.16 118.60 3i1p n LYS 89 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1p n LYS 89 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1p n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1p n LEU 90 N 0.00 0.00 0.00 -0.35 0.00 -1.18 -3.76 117.00 111.70 3i1p n LEU 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i1p n LEU 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i1p n LEU 90 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 177.39 177.88 3i1p n PHE 91 N 0.00 0.00 -1.35 1.96 3.72 -1.26 -4.73 117.46 115.80 3i1p n PHE 91 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i1p n PHE 91 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i1p n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1p n GLY 92 N 0.00 -0.32 3.72 1.37 0.00 -1.26 -5.12 105.19 103.58 3i1p n GLY 92 Ca 0.00 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 3i1p n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1p s SER 93 N -4.00 6.74 0.00 1.61 1.04 -1.26 -4.95 113.70 112.88 3i1p s SER 93 Ca 0.00 0.89 0.24 0.00 0.48 0.00 0.00 55.95 57.55 3i1p s SER 93 Cb 0.00 -2.31 0.64 0.00 0.10 0.00 0.00 66.02 64.45 3i1p s SER 93 CO 0.00 -0.02 1.51 -0.38 0.98 0.00 0.00 173.24 175.33 3i1p n ILE 94 N 3.67 0.18 0.00 -1.02 2.08 -1.26 -5.03 119.36 117.99 3i1p n ILE 94 Ca -0.06 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.81 3i1p n ILE 94 Cb 0.52 0.75 0.00 0.00 -0.75 0.00 0.00 39.64 40.16 3i1p n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i1p n GLY 95 N 1.27 0.81 2.47 7.39 0.00 -1.26 -4.20 105.19 111.66 3i1p n GLY 95 Ca 0.17 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 3i1p n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1p n THR 96 N 0.00 0.74 0.00 2.61 -2.24 -1.26 -4.85 114.28 109.28 3i1p n THR 96 Ca 0.00 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.76 3i1p n THR 96 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3i1p n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i1p n ARG 97 N 0.04 0.00 0.00 -0.78 1.74 -1.26 -4.67 116.66 111.73 3i1p n ARG 97 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3i1p n ARG 97 Cb 0.71 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.15 3i1p n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i1p n ASP 98 N 0.00 0.00 0.00 0.55 10.43 -1.26 -4.63 116.55 121.63 3i1p n ASP 98 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i1p n ASP 98 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3i1p n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3i1p n ILE 99 N 0.00 0.00 -3.78 0.53 2.08 -1.26 -4.96 119.36 111.97 3i1p n ILE 99 Ca 0.00 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.94 3i1p n ILE 99 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 38.76 3i1p n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1p s ALA 100 N -1.63 3.01 -0.33 -1.39 0.00 -1.26 -4.87 121.76 115.29 3i1p s ALA 100 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3i1p s ALA 100 Cb 0.00 -2.22 0.08 0.00 0.00 0.00 0.00 23.12 20.98 3i1p s ALA 100 CO 0.00 -1.33 0.04 0.34 0.00 0.00 0.00 175.76 174.81 3i1p s ASP 101 N 1.38 4.87 0.00 0.00 -1.08 -1.26 -5.04 116.67 115.55 3i1p s ASP 101 Ca -0.02 -1.69 0.00 0.00 -0.52 0.00 0.00 52.55 50.32 3i1p s ASP 101 Cb -0.20 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 3i1p s ASP 101 CO 0.02 -0.34 0.00 0.00 0.52 0.00 0.00 175.17 175.37 3i1p n ALA 102 N 4.49 0.00 0.77 3.66 0.00 -1.26 -3.09 120.51 125.08 3i1p n ALA 102 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i1p n ALA 102 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3i1p n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1p n VAL 103 N 0.00 0.47 -0.63 0.00 0.24 -1.26 -4.70 118.33 112.46 3i1p n VAL 103 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1p n VAL 103 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 3i1p n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1p n THR 104 N 0.42 0.00 -3.15 3.34 5.66 -1.26 -4.75 114.28 114.53 3i1p n THR 104 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 3i1p n THR 104 Cb 0.31 -0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 68.46 3i1p n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1p s ALA 105 N -0.74 -4.00 0.00 1.79 0.00 -1.26 -5.09 121.76 112.45 3i1p s ALA 105 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3i1p s ALA 105 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3i1p s ALA 105 CO 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 175.76 173.84 3i1p n ALA 106 N 5.21 0.00 -0.48 0.00 0.00 -1.26 -5.01 120.51 118.97 3i1p n ALA 106 Ca 0.04 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.88 3i1p n ALA 106 Cb 0.57 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.70 3i1p n ALA 106 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1p h GLY 107 N 0.00 1.14 -2.47 0.00 0.00 -2.03 -3.39 103.07 96.32 3i1p h GLY 107 Ca 0.00 -0.09 -0.48 0.00 0.00 0.00 0.00 47.33 46.76 3i1p h GLY 107 CO 0.00 -0.36 -0.08 -1.34 0.00 0.00 0.00 176.54 174.76 3i1p s VAL 108 N -5.23 5.03 0.00 4.60 -7.23 -1.26 -5.10 120.40 111.21 3i1p s VAL 108 Ca -0.07 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 3i1p s VAL 108 Cb 0.30 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3i1p s VAL 108 CO 0.83 -0.65 0.00 -0.62 -0.31 0.00 0.00 175.10 174.35 3i1p n GLU 109 N -1.91 2.39 -4.11 4.82 4.71 -1.26 -4.86 120.64 120.42 3i1p n GLU 109 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.80 3i1p n GLU 109 Cb 0.56 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.83 3i1p n GLU 109 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i1p s VAL 110 N 1.81 2.04 0.00 2.62 -7.23 -1.26 -5.04 120.40 113.35 3i1p s VAL 110 Ca 0.00 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3i1p s VAL 110 Cb 0.00 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3i1p s VAL 110 CO 0.00 0.46 0.00 0.00 -0.31 0.00 0.00 175.10 175.25 3i1p n ALA 111 N 4.60 0.00 -3.32 1.32 0.00 -1.26 -5.20 120.51 116.65 3i1p n ALA 111 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3i1p n ALA 111 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i1p n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1p n LYS 112 N 0.00 3.23 -1.36 0.00 5.02 -1.26 -4.99 118.16 118.79 3i1p n LYS 112 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3i1p n LYS 112 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 3i1p n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i1p n SER 113 N -0.40 7.19 0.18 4.39 7.64 -1.26 -4.58 113.62 126.78 3i1p n SER 113 Ca 0.00 -2.74 0.10 0.00 1.01 0.00 0.00 58.87 57.24 3i1p n SER 113 Cb 0.00 -1.43 0.63 0.00 -1.01 0.00 0.00 64.21 62.40 3i1p n SER 113 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3i1p h GLU 114 N 4.00 0.05 -7.29 1.43 5.08 -1.96 -3.43 114.58 112.46 3i1p h GLU 114 Ca 0.56 -0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.45 3i1p h GLU 114 Cb 0.74 -0.01 0.17 0.00 0.50 0.00 0.00 28.75 30.15 3i1p h GLU 114 CO 1.10 0.04 0.17 0.14 -1.00 0.00 0.00 179.01 179.46 3i1p s VAL 115 N -5.10 2.29 0.34 3.13 -7.23 -1.26 -3.98 120.40 108.58 3i1p s VAL 115 Ca -0.05 0.09 0.03 0.00 -1.81 0.00 0.00 61.98 60.24 3i1p s VAL 115 Cb 0.18 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 3i1p s VAL 115 CO 0.69 -0.12 0.11 0.00 -0.31 0.00 0.00 175.10 175.47 3i1p s ARG 116 N -4.80 1.69 -0.29 4.82 1.70 -1.12 -4.99 118.95 115.96 3i1p s ARG 116 Ca 0.65 -1.97 -0.16 0.00 -0.47 0.00 0.00 55.73 53.78 3i1p s ARG 116 Cb -0.20 -0.48 0.16 0.00 -0.57 0.00 0.00 34.95 33.86 3i1p s ARG 116 CO 0.59 -0.37 1.05 -0.51 -1.08 0.00 0.00 175.30 174.98 3i1p s LEU 117 N -3.47 -0.40 0.41 -1.89 1.43 -1.26 -4.64 118.68 108.85 3i1p s LEU 117 Ca 0.32 0.63 0.21 0.00 -1.03 0.00 0.00 54.13 54.26 3i1p s LEU 117 Cb 0.06 1.57 1.13 0.00 0.03 0.00 0.00 46.19 48.98 3i1p s LEU 117 CO 0.15 -0.10 1.59 -0.65 0.23 0.00 0.00 176.35 177.57 3i1p h PRO 118 N 5.98 0.00 0.00 1.29 0.11 -2.02 -3.43 132.00 133.93 3i1p h PRO 118 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i1p h PRO 118 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i1p h PRO 118 CO 0.19 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.07 3i1p n ASN 119 N -2.33 1.61 -3.73 -2.05 4.13 -1.26 -5.06 115.26 106.57 3i1p n ASN 119 Ca -0.01 -0.69 -0.42 0.00 1.68 0.00 0.00 54.58 55.14 3i1p n ASN 119 Cb 0.23 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.48 3i1p n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i1p n GLY 120 N 4.03 5.25 1.08 7.41 0.00 -1.26 -4.76 105.19 116.95 3i1p n GLY 120 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 3i1p n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1p n VAL 121 N 1.78 -1.94 -3.11 1.61 0.31 -1.26 -4.81 118.33 110.91 3i1p n VAL 121 Ca 0.45 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.40 3i1p n VAL 121 Cb 0.30 -2.64 -0.06 0.00 -0.91 0.00 0.00 33.84 30.53 3i1p n VAL 121 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i1p s LEU 122 N 0.00 4.52 0.00 7.52 1.43 -1.26 -4.90 118.68 125.98 3i1p s LEU 122 Ca 0.00 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3i1p s LEU 122 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3i1p s LEU 122 CO 0.00 0.20 0.67 0.54 0.23 0.00 0.00 176.35 177.99 3i1p n ARG 123 N 1.45 1.19 -1.60 1.70 1.74 -1.26 -5.02 116.66 114.86 3i1p n ARG 123 Ca -0.07 -0.89 -0.26 0.00 -0.77 0.00 0.00 57.85 55.87 3i1p n ARG 123 Cb 0.50 -0.77 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 3i1p n ARG 123 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i1p s THR 124 N -0.43 3.04 -0.20 0.55 2.01 -1.26 -3.89 115.64 115.46 3i1p s THR 124 Ca 0.00 -0.01 -0.32 0.00 0.31 0.00 0.00 61.69 61.67 3i1p s THR 124 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 3i1p s THR 124 CO 0.00 -0.08 2.09 0.35 -0.69 0.00 0.00 174.62 176.29 3i1p n THR 125 N 8.31 0.41 0.00 -0.82 -2.24 -1.26 -4.48 114.28 114.20 3i1p n THR 125 Ca 0.41 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3i1p n THR 125 Cb 0.49 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 3i1p n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 126 N 5.46 -1.68 3.23 3.38 0.00 -1.26 -5.08 105.19 109.24 3i1p n GLY 126 Ca 0.30 0.73 -0.13 0.00 0.00 0.00 0.00 46.02 46.92 3i1p n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1p s GLU 127 N 0.00 1.01 -0.26 1.61 2.12 -1.26 -4.43 118.70 117.49 3i1p s GLU 127 Ca 0.00 -1.44 -0.02 0.00 0.36 0.00 0.00 54.97 53.87 3i1p s GLU 127 Cb 0.00 -0.41 0.12 0.00 0.26 0.00 0.00 34.13 34.10 3i1p s GLU 127 CO 0.00 -0.01 0.29 -1.01 -0.54 0.00 0.00 175.26 173.99 3i1p s HIS 128 N -3.50 -0.49 -0.66 5.30 3.76 -1.26 -4.87 115.29 113.58 3i1p s HIS 128 Ca 0.17 0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 3i1p s HIS 128 Cb 0.04 -0.34 0.45 0.00 1.11 0.00 0.00 32.58 33.84 3i1p s HIS 128 CO -0.00 -0.80 2.02 0.39 -0.85 0.00 0.00 174.74 175.50 3i1p n GLU 129 N 5.32 2.71 -0.62 1.40 4.71 -1.25 -2.31 120.64 130.60 3i1p n GLU 129 Ca -0.03 -3.31 -0.29 0.00 -0.01 0.00 0.00 57.16 53.52 3i1p n GLU 129 Cb 0.48 -2.29 0.22 0.00 -1.01 0.00 0.00 31.44 28.84 3i1p n GLU 129 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i1p s VAL 130 N -4.81 2.07 0.19 2.62 -7.23 -1.26 -4.72 120.40 107.25 3i1p s VAL 130 Ca 0.65 0.02 0.10 0.00 -1.81 0.00 0.00 61.98 60.94 3i1p s VAL 130 Cb 0.51 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3i1p s VAL 130 CO -0.01 -0.03 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.63 3i1p s SER 131 N -2.61 3.77 0.02 4.85 1.04 -1.26 -4.07 113.70 115.43 3i1p s SER 131 Ca 0.68 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 56.38 3i1p s SER 131 Cb -0.24 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 3i1p s SER 131 CO 0.62 0.12 -0.07 0.12 0.98 0.00 0.00 173.24 175.01 3i1p s PHE 132 N -1.67 0.61 -0.11 5.02 5.36 -1.26 -2.79 117.98 123.13 3i1p s PHE 132 Ca 0.22 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.95 3i1p s PHE 132 Cb -0.08 -0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.23 3i1p s PHE 132 CO 0.12 -0.03 -0.19 -0.65 -1.46 0.00 0.00 175.22 173.01 3i1p s GLN 133 N -0.74 2.53 0.00 10.12 1.11 -1.26 -3.89 119.66 127.54 3i1p s GLN 133 Ca -0.03 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 54.66 3i1p s GLN 133 Cb -0.05 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.90 3i1p s GLN 133 CO 0.00 0.02 0.00 1.55 0.01 0.00 0.00 175.29 176.87 3i1p n VAL 134 N 3.95 0.00 -3.89 1.09 3.14 -1.26 -4.80 118.33 116.55 3i1p n VAL 134 Ca -0.20 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.10 3i1p n VAL 134 Cb 0.52 1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 34.78 3i1p n VAL 134 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i1p s HIS 135 N 0.00 0.14 -1.29 1.45 5.65 -1.26 -5.00 115.29 114.98 3i1p s HIS 135 Ca 0.00 -0.62 0.02 0.00 0.25 0.00 0.00 55.06 54.70 3i1p s HIS 135 Cb 0.00 0.58 0.09 0.00 -1.18 0.00 0.00 32.58 32.06 3i1p s HIS 135 CO 0.00 -1.29 0.79 0.43 -0.65 0.00 0.00 174.74 174.02 3i1p n SER 136 N -0.84 1.17 0.00 9.88 7.64 -1.26 -3.96 113.62 126.24 3i1p n SER 136 Ca -0.04 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3i1p n SER 136 Cb 0.60 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3i1p n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1p n GLU 137 N -0.04 0.00 -2.28 1.43 1.02 -1.26 -5.02 120.64 114.48 3i1p n GLU 137 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 3i1p n GLU 137 Cb 0.26 -0.39 -0.03 0.00 -0.02 0.00 0.00 31.44 31.26 3i1p n GLU 137 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i1p s VAL 138 N -1.00 3.29 0.00 2.62 1.01 -1.25 -4.30 120.40 120.76 3i1p s VAL 138 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3i1p s VAL 138 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3i1p s VAL 138 CO 0.00 0.20 0.00 0.49 0.00 0.00 0.00 175.10 175.79 3i1p n PHE 139 N 2.19 0.00 -3.64 5.22 3.01 -1.25 -4.34 117.46 118.64 3i1p n PHE 139 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 3i1p n PHE 139 Cb 0.43 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.83 3i1p n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1p s ALA 140 N -2.00 -1.54 -0.19 4.37 0.00 -1.25 -4.66 121.76 116.49 3i1p s ALA 140 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 3i1p s ALA 140 Cb 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.44 3i1p s ALA 140 CO 0.00 -0.31 0.24 0.15 0.00 0.00 0.00 175.76 175.85 3i1p s LYS 141 N -0.05 0.19 0.00 0.00 1.02 -1.26 -4.11 119.74 115.53 3i1p s LYS 141 Ca -0.03 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.32 3i1p s LYS 141 Cb -0.04 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 3i1p s LYS 141 CO 0.03 -0.57 0.00 1.33 -0.92 0.00 0.00 175.35 175.22 3i1p n VAL 142 N 5.33 0.00 -1.44 3.17 0.24 -1.25 -4.34 118.33 120.04 3i1p n VAL 142 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i1p n VAL 142 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3i1p n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1p n ILE 143 N 0.00 0.00 -3.31 1.34 -5.35 -0.98 -3.85 119.36 107.22 3i1p n ILE 143 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i1p n ILE 143 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i1p n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i1p n VAL 144 N 0.00 0.00 -3.49 7.28 0.24 -1.26 -4.22 118.33 116.88 3i1p n VAL 144 Ca 0.00 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3i1p n VAL 144 Cb 0.00 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 3i1p n VAL 144 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3i1p s ASN 145 N -1.14 -0.52 0.22 -1.34 2.47 -1.26 -4.76 114.94 108.61 3i1p s ASN 145 Ca 0.01 0.24 0.03 0.00 0.42 0.00 0.00 52.86 53.56 3i1p s ASN 145 Cb -0.00 0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 40.24 3i1p s ASN 145 CO 0.00 -0.71 0.02 0.68 -3.72 0.00 0.00 177.10 173.38 3i1p s VAL 146 N -2.57 0.86 0.00 -5.21 -7.23 -1.26 -4.37 120.40 100.62 3i1p s VAL 146 Ca -0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3i1p s VAL 146 Cb -0.01 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3i1p s VAL 146 CO -0.04 -0.30 0.00 1.33 -0.31 0.00 0.00 175.10 175.78 3i1p n VAL 147 N -0.38 0.00 -1.51 1.32 0.24 -1.26 -4.96 118.33 111.78 3i1p n VAL 147 Ca -0.05 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i1p n VAL 147 Cb 0.64 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3i1p n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p n ALA 148 N -1.23 -3.01 1.67 2.33 0.00 -1.26 -4.81 120.51 114.21 3i1p n ALA 148 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3i1p n ALA 148 Cb 0.00 -0.03 0.79 0.00 0.00 0.00 0.00 19.45 20.21 3i1p n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59