#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t h GLN 2 N 0.00 0.52 -0.88 2.12 1.08 -1.85 -2.13 115.11 113.97 3i1t h GLN 2 Ca 0.00 -0.77 0.00 0.00 -1.45 0.00 0.00 58.65 56.43 3i1t h GLN 2 Cb 0.00 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3i1t h GLN 2 CO 0.00 1.35 0.00 1.33 -0.95 0.00 0.00 178.83 180.56 3i1t n VAL 3 N -3.72 0.00 -2.97 -0.54 0.24 -1.26 -2.41 118.33 107.67 3i1t n VAL 3 Ca -0.13 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.90 3i1t n VAL 3 Cb 1.02 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 33.22 3i1t n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1t s ILE 4 N 0.00 4.98 0.74 1.34 1.01 -0.24 -3.71 121.20 125.32 3i1t s ILE 4 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 3i1t s ILE 4 Cb 0.00 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.72 3i1t s ILE 4 CO 0.00 -0.68 1.04 -0.76 0.00 0.00 0.00 174.94 174.53 3i1t s LEU 5 N -4.44 2.88 0.00 2.97 1.43 -0.90 0.14 118.68 120.76 3i1t s LEU 5 Ca 0.45 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3i1t s LEU 5 Cb -0.10 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3i1t s LEU 5 CO 0.40 -1.80 0.06 0.18 0.23 0.00 0.00 176.35 175.41 3i1t n LEU 6 N -2.99 0.12 0.00 1.79 4.32 0.61 -4.31 117.00 116.54 3i1t n LEU 6 Ca 0.11 -0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 3i1t n LEU 6 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 3i1t n LEU 6 CO 0.48 0.03 0.00 0.47 -1.22 0.00 0.00 177.39 177.15 3i1t n ASP 7 N -0.39 0.00 0.00 -1.43 8.00 -1.23 -4.87 116.55 116.63 3i1t n ASP 7 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i1t n ASP 7 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3i1t n ASP 7 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3i1t n LYS 8 N 0.00 2.70 -1.51 -1.24 -0.00 -1.26 -2.57 118.16 114.28 3i1t n LYS 8 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 3i1t n LYS 8 Cb 0.00 -0.86 -0.08 0.00 -0.00 0.00 0.00 35.03 34.09 3i1t n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1t n VAL 9 N -1.51 -1.35 0.00 0.58 0.31 -1.26 -4.40 118.33 110.69 3i1t n VAL 9 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.42 3i1t n VAL 9 Cb 0.30 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3i1t n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1t n ALA 10 N -4.10 0.00 0.23 3.52 0.00 -1.26 -4.51 120.51 114.39 3i1t n ALA 10 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3i1t n ALA 10 Cb 0.67 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.25 3i1t n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1t n ASN 11 N 0.00 2.97 -3.62 0.00 3.02 -1.26 -4.77 115.26 111.61 3i1t n ASN 11 Ca 0.00 -2.44 -0.12 0.00 -0.03 0.00 0.00 54.58 51.99 3i1t n ASN 11 Cb 0.00 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 3i1t n ASN 11 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3i1t s LEU 12 N -1.13 -0.60 0.00 3.41 0.05 -1.26 -5.15 118.68 114.01 3i1t s LEU 12 Ca 0.21 1.06 0.00 0.00 0.05 0.00 0.00 54.13 55.46 3i1t s LEU 12 Cb 0.17 2.21 0.00 0.00 -2.05 0.00 0.00 46.19 46.51 3i1t s LEU 12 CO 0.06 -0.26 0.00 0.61 -0.55 0.00 0.00 176.35 176.21 3i1t n GLY 13 N 2.15 -0.83 2.57 -3.48 0.00 -1.26 -4.68 105.19 99.65 3i1t n GLY 13 Ca -0.14 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 3i1t n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1t s SER 14 N -1.52 3.60 -0.61 1.61 0.01 -1.26 -4.71 113.70 110.82 3i1t s SER 14 Ca 0.00 -1.35 -0.14 0.00 1.31 0.00 0.00 55.95 55.77 3i1t s SER 14 Cb 0.00 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.83 3i1t s SER 14 CO 0.00 -0.44 0.64 0.18 0.41 0.00 0.00 173.24 174.04 3i1t n LEU 15 N 5.18 -4.83 -1.32 2.44 7.99 -1.06 -4.11 117.00 121.30 3i1t n LEU 15 Ca -0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 3i1t n LEU 15 Cb 0.42 -2.50 0.00 0.00 -0.11 0.00 0.00 43.42 41.23 3i1t n LEU 15 CO 0.05 -0.80 0.00 0.61 -1.51 0.00 0.00 177.39 175.74 3i1t n GLY 16 N -0.95 0.76 3.49 -0.72 0.00 -1.24 -5.02 105.19 101.51 3i1t n GLY 16 Ca -0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3i1t n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1t s ASP 17 N -2.98 3.87 -0.69 1.61 1.01 -1.26 -4.78 116.67 113.46 3i1t s ASP 17 Ca 0.00 -0.59 -0.19 0.00 0.71 0.00 0.00 52.55 52.48 3i1t s ASP 17 Cb 0.00 -0.53 0.11 0.00 1.01 0.00 0.00 42.92 43.51 3i1t s ASP 17 CO 0.00 0.17 0.84 -1.58 0.21 0.00 0.00 175.17 174.80 3i1t s GLN 18 N -2.25 3.20 0.01 8.23 0.74 -1.26 -2.11 119.66 126.21 3i1t s GLN 18 Ca 0.19 -1.40 0.04 0.00 0.05 0.00 0.00 55.36 54.24 3i1t s GLN 18 Cb -0.10 -4.39 -0.03 0.00 1.10 0.00 0.00 33.01 29.59 3i1t s GLN 18 CO 0.10 -1.62 -0.09 0.14 -0.55 0.00 0.00 175.29 173.27 3i1t s VAL 19 N 2.75 3.44 -0.45 1.34 -7.23 -1.01 -4.98 120.40 114.26 3i1t s VAL 19 Ca 0.18 -0.84 -0.27 0.00 -1.81 0.00 0.00 61.98 59.23 3i1t s VAL 19 Cb -0.18 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3i1t s VAL 19 CO 0.03 0.40 1.03 0.21 -0.31 0.00 0.00 175.10 176.46 3i1t s ASN 20 N -1.36 6.61 0.47 4.85 3.04 -1.26 -4.31 114.94 122.98 3i1t s ASN 20 Ca 0.16 0.39 0.03 0.00 0.04 0.00 0.00 52.86 53.48 3i1t s ASN 20 Cb -0.11 -2.50 -0.03 0.00 -1.54 0.00 0.00 41.25 37.07 3i1t s ASN 20 CO 0.06 -1.11 0.03 0.54 -3.04 0.00 0.00 177.10 173.59 3i1t s VAL 21 N 4.02 1.15 -0.05 -5.21 0.11 -0.80 -5.02 120.40 114.61 3i1t s VAL 21 Ca 0.43 -2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.44 3i1t s VAL 21 Cb -0.09 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 3i1t s VAL 21 CO 0.27 0.00 0.15 -1.59 -3.33 0.00 0.00 175.10 170.60 3i1t s LYS 22 N -3.82 3.37 0.00 1.54 -2.85 -1.26 -4.25 119.74 112.47 3i1t s LYS 22 Ca 0.15 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 3i1t s LYS 22 Cb 0.03 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 3i1t s LYS 22 CO 0.08 0.71 0.31 0.00 0.10 0.00 0.00 175.35 176.55 3i1t n ALA 23 N 1.41 0.60 -0.40 0.59 0.00 -1.26 -2.04 120.51 119.41 3i1t n ALA 23 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i1t n ALA 23 Cb 0.54 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i1t n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 24 N -0.81 0.06 0.10 0.00 0.00 -1.26 -4.38 105.19 98.90 3i1t n GLY 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i1t n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i1t n TYR 25 N -1.66 -0.11 -2.18 1.61 4.19 -0.87 -2.57 117.16 115.57 3i1t n TYR 25 Ca 0.00 0.31 -0.33 0.00 3.31 0.00 0.00 57.90 61.19 3i1t n TYR 25 Cb 0.00 -0.42 -0.01 0.00 0.49 0.00 0.00 39.34 39.40 3i1t n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i1t s ALA 26 N -4.64 2.85 -1.88 2.98 0.00 -1.24 -0.36 121.76 119.47 3i1t s ALA 26 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3i1t s ALA 26 Cb 0.03 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3i1t s ALA 26 CO 0.15 -0.61 0.00 -2.13 0.00 0.00 0.00 175.76 173.18 3i1t n ARG 27 N -1.83 -1.31 0.00 0.00 3.00 -1.25 -4.54 116.66 110.73 3i1t n ARG 27 Ca 0.08 1.10 0.00 0.00 -0.00 0.00 0.00 57.85 59.03 3i1t n ARG 27 Cb 0.53 -5.42 0.00 0.00 0.00 0.00 0.00 32.46 27.57 3i1t n ARG 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i1t n ASN 28 N -1.05 0.00 0.02 6.15 5.03 -1.06 -4.95 115.26 119.40 3i1t n ASN 28 Ca -0.19 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.26 3i1t n ASN 28 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 3i1t n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3i1t n PHE 29 N -0.35 -0.56 -0.10 3.10 7.35 0.52 -4.73 117.46 122.68 3i1t n PHE 29 Ca 0.00 0.08 0.26 0.00 -0.76 0.00 0.00 57.45 57.03 3i1t n PHE 29 Cb 0.00 0.55 0.72 0.00 0.35 0.00 0.00 39.48 41.10 3i1t n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i1t h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -1.53 0.82 115.31 115.85 3i1t h LEU 30 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3i1t h LEU 30 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i1t h LEU 30 CO 0.00 0.00 -0.87 0.52 0.09 0.00 0.00 178.44 178.18 3i1t n VAL 31 N -4.15 1.46 0.31 1.22 0.31 -1.26 0.56 118.33 116.77 3i1t n VAL 31 Ca 0.15 0.12 0.19 0.00 -0.01 0.00 0.00 64.34 64.79 3i1t n VAL 31 Cb 0.86 -2.29 0.99 0.00 -0.91 0.00 0.00 33.84 32.49 3i1t n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3i1t h PRO 32 N -1.00 0.00 -0.66 5.55 0.11 -1.80 0.00 132.00 134.20 3i1t h PRO 32 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3i1t h PRO 32 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3i1t h PRO 32 CO -0.07 0.02 0.00 0.94 -0.21 0.00 0.00 178.00 178.69 3i1t n GLN 33 N -3.26 3.62 -3.50 1.05 -0.06 0.27 -4.97 117.38 110.53 3i1t n GLN 33 Ca -0.02 -2.75 -0.15 0.00 -2.00 0.00 0.00 57.00 52.08 3i1t n GLN 33 Cb 0.15 -1.87 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 3i1t n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i1t n GLY 34 N 1.13 -1.28 0.00 1.69 0.00 -0.01 -4.93 105.19 101.79 3i1t n GLY 34 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.82 3i1t n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 35 N -2.31 3.17 -3.61 1.61 4.76 0.19 -4.87 118.16 117.10 3i1t n LYS 35 Ca -0.19 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.19 3i1t n LYS 35 Cb 0.62 -0.35 -0.02 0.00 -1.84 0.00 0.00 35.03 33.44 3i1t n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1t s ALA 36 N -0.56 -1.73 -0.04 7.82 0.00 0.24 -0.29 121.76 127.21 3i1t s ALA 36 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.60 3i1t s ALA 36 Cb 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3i1t s ALA 36 CO 0.00 -0.85 -0.25 0.54 0.00 0.00 0.00 175.76 175.20 3i1t s VAL 37 N -3.25 2.01 0.09 0.00 0.11 0.37 -4.47 120.40 115.27 3i1t s VAL 37 Ca 0.08 -1.06 -0.31 0.00 -2.93 0.00 0.00 61.98 57.76 3i1t s VAL 37 Cb -0.01 -1.69 -0.11 0.00 -1.53 0.00 0.00 36.38 33.05 3i1t s VAL 37 CO -0.04 0.56 1.87 -2.65 -3.33 0.00 0.00 175.10 171.51 3i1t n PRO 38 N 2.75 2.74 -1.07 1.54 -0.02 -1.26 -1.08 135.00 138.60 3i1t n PRO 38 Ca -0.17 1.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 3i1t n PRO 38 Cb 0.52 -2.90 -0.09 0.00 -0.02 0.00 0.00 33.50 31.00 3i1t n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1t n ALA 39 N 6.08 1.54 1.84 3.55 0.00 -1.26 -4.64 120.51 127.62 3i1t n ALA 39 Ca 0.19 -2.83 0.02 0.00 0.00 0.00 0.00 53.44 50.82 3i1t n ALA 39 Cb 0.37 -3.61 0.08 0.00 0.00 0.00 0.00 19.45 16.29 3i1t n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1t n THR 40 N 7.19 0.07 0.00 0.00 -2.24 -1.26 -4.86 114.28 113.18 3i1t n THR 40 Ca 0.46 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 3i1t n THR 40 Cb 0.43 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3i1t n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1t n LYS 41 N -0.38 0.00 -0.36 -0.78 5.02 -1.26 -4.27 118.16 116.13 3i1t n LYS 41 Ca 0.03 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.42 3i1t n LYS 41 Cb 0.05 -0.12 0.28 0.00 -0.02 0.00 0.00 35.03 35.22 3i1t n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1t h LYS 42 N 0.00 0.86 0.04 1.97 3.64 -1.95 -1.03 116.57 120.09 3i1t h LYS 42 Ca 0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3i1t h LYS 42 Cb 0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3i1t h LYS 42 CO 0.00 0.57 -0.72 -0.91 -2.27 0.00 0.00 179.45 176.12 3i1t h ASN 43 N 0.88 0.13 -0.01 4.20 2.35 -1.89 -3.34 115.58 117.90 3i1t h ASN 43 Ca 0.54 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3i1t h ASN 43 Cb 0.69 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 3i1t h ASN 43 CO -0.33 1.30 0.28 0.16 -1.65 0.00 0.00 177.43 177.20 3i1t h ILE 44 N -0.80 0.01 0.16 2.81 3.07 -1.84 0.46 117.51 121.39 3i1t h ILE 44 Ca -0.17 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.23 3i1t h ILE 44 Cb 1.31 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3i1t h ILE 44 CO -0.03 0.00 -0.08 -0.08 -1.05 0.00 0.00 178.15 176.91 3i1t h GLU 45 N 0.00 -0.20 -1.04 0.16 4.57 -1.30 -0.54 114.58 116.22 3i1t h GLU 45 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3i1t h GLU 45 Cb 0.57 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3i1t h GLU 45 CO -0.00 0.23 0.00 0.34 -1.18 0.00 0.00 179.01 178.41 3i1t n PHE 46 N -4.93 0.02 0.06 0.92 -0.00 0.13 -3.64 117.46 110.00 3i1t n PHE 46 Ca -0.08 -0.53 0.00 0.00 -0.00 0.00 0.00 57.45 56.84 3i1t n PHE 46 Cb 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i1t n PHE 46 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i1t n PHE 47 N 0.53 -0.93 -1.38 -5.13 3.72 -1.06 -5.03 117.46 108.18 3i1t n PHE 47 Ca 0.00 0.17 -0.13 0.00 -0.05 0.00 0.00 57.45 57.43 3i1t n PHE 47 Cb 0.51 0.47 -0.13 0.00 -0.94 0.00 0.00 39.48 39.39 3i1t n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3i1t n GLU 48 N -2.91 0.10 0.00 -1.08 0.00 -0.21 -2.55 120.64 113.99 3i1t n GLU 48 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 57.16 56.83 3i1t n GLU 48 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.67 3i1t n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t n ALA 49 N 9.01 0.00 -0.37 4.31 0.00 -1.26 -4.98 120.51 127.22 3i1t n ALA 49 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.86 3i1t n ALA 49 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.91 3i1t n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1t h ARG 50 N 0.00 1.25 0.00 0.00 9.65 -1.91 0.07 114.38 123.45 3i1t h ARG 50 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3i1t h ARG 50 Cb 0.00 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 28.30 3i1t h ARG 50 CO 0.00 0.83 0.20 0.54 2.80 0.00 0.00 179.97 184.34 3i1t n ARG 51 N -4.43 0.11 -1.36 0.20 1.74 -1.26 -2.86 116.66 108.79 3i1t n ARG 51 Ca 0.13 0.59 0.03 0.00 -0.77 0.00 0.00 57.85 57.83 3i1t n ARG 51 Cb 0.07 -2.04 0.08 0.00 -1.02 0.00 0.00 32.46 29.55 3i1t n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1t n ALA 52 N -1.63 2.92 -1.97 7.54 0.00 0.01 -4.81 120.51 122.56 3i1t n ALA 52 Ca -0.01 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.68 3i1t n ALA 52 Cb 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3i1t n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1t n GLU 53 N -0.16 0.00 0.00 0.00 0.00 -1.14 -4.45 120.64 114.90 3i1t n GLU 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 3i1t n GLU 53 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.41 3i1t n GLU 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3i1t n LEU 54 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -0.12 117.00 119.93 3i1t n LEU 54 Ca 0.00 0.27 -0.00 0.00 -0.00 0.00 0.00 56.01 56.28 3i1t n LEU 54 Cb 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3i1t n LEU 54 CO 0.00 -0.27 0.04 -0.08 -0.00 0.00 0.00 177.39 177.08 3i1t h GLU 55 N 0.00 -0.00 0.00 1.47 4.57 -1.85 -3.35 114.58 115.42 3i1t h GLU 55 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i1t h GLU 55 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3i1t h GLU 55 CO 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 3i1t n ALA 56 N -2.00 2.26 1.62 2.92 0.00 -0.79 -2.79 120.51 121.73 3i1t n ALA 56 Ca -0.00 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3i1t n ALA 56 Cb 0.00 -1.46 0.76 0.00 0.00 0.00 0.00 19.45 18.75 3i1t n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1t n LYS 57 N -1.95 0.78 -0.10 0.00 -0.00 0.83 -3.69 118.16 114.03 3i1t n LYS 57 Ca 0.06 -0.14 -0.21 0.00 -0.00 0.00 0.00 58.31 58.02 3i1t n LYS 57 Cb 0.38 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.84 3i1t n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1t n LEU 58 N -0.99 1.53 0.18 -5.58 7.94 -1.12 -4.31 117.00 114.65 3i1t n LEU 58 Ca 0.18 0.26 0.17 0.00 -1.11 0.00 0.00 56.01 55.51 3i1t n LEU 58 Cb 0.22 -0.63 0.80 0.00 0.53 0.00 0.00 43.42 44.33 3i1t n LEU 58 CO 0.21 0.35 1.15 0.00 -1.11 0.00 0.00 177.39 178.00 3i1t h ALA 59 N -0.77 1.91 -1.15 1.96 0.00 -1.70 -1.91 119.26 117.60 3i1t h ALA 59 Ca -0.49 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.77 3i1t h ALA 59 Cb 1.40 0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.85 3i1t h ALA 59 CO -0.29 -0.34 0.05 0.39 0.00 0.00 0.00 179.25 179.05 3i1t n GLU 60 N -3.89 3.14 0.00 0.00 4.71 -1.24 -3.21 120.64 120.15 3i1t n GLU 60 Ca 0.03 -3.97 0.00 0.00 -0.01 0.00 0.00 57.16 53.21 3i1t n GLU 60 Cb 0.36 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.53 3i1t n GLU 60 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i1t n VAL 61 N -0.60 0.00 0.00 2.62 3.14 -0.75 -4.96 118.33 117.78 3i1t n VAL 61 Ca 0.48 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 3i1t n VAL 61 Cb 0.58 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3i1t n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1t n LEU 62 N -2.34 2.64 0.00 6.55 -0.00 -1.04 -4.52 117.00 118.28 3i1t n LEU 62 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 3i1t n LEU 62 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 43.63 3i1t n LEU 62 CO 0.00 0.44 0.42 0.00 -0.00 0.00 0.00 177.39 178.25 3i1t n ALA 63 N -2.39 1.94 1.01 1.47 0.00 -1.16 -0.72 120.51 120.66 3i1t n ALA 63 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.50 3i1t n ALA 63 Cb 0.44 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3i1t n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 64 N -0.78 4.06 0.04 0.00 0.00 -1.20 -4.16 120.51 118.48 3i1t n ALA 64 Ca 0.05 -0.61 0.20 0.00 0.00 0.00 0.00 53.44 53.07 3i1t n ALA 64 Cb 0.02 -0.80 0.71 0.00 0.00 0.00 0.00 19.45 19.39 3i1t n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 65 N 3.49 2.35 -1.64 0.00 0.00 -1.19 -3.45 119.26 118.82 3i1t h ALA 65 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1t h ALA 65 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i1t h ALA 65 CO 0.00 -0.59 0.00 -1.71 0.00 0.00 0.00 179.25 176.95 3i1t n ASN 66 N -4.22 0.00 -0.12 0.00 4.05 -1.26 -4.60 115.26 109.10 3i1t n ASN 66 Ca 0.08 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.12 3i1t n ASN 66 Cb 0.56 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.57 3i1t n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1t n ALA 67 N 0.00 -0.49 -2.92 5.20 0.00 -1.26 -4.68 120.51 116.36 3i1t n ALA 67 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3i1t n ALA 67 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.06 3i1t n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1t n ARG 68 N -1.83 4.61 0.00 0.00 0.00 -1.26 -4.77 116.66 113.41 3i1t n ARG 68 Ca -0.00 -4.61 0.15 0.00 -0.00 0.00 0.00 57.85 53.39 3i1t n ARG 68 Cb 0.04 -2.47 0.77 0.00 0.00 0.00 0.00 32.46 30.81 3i1t n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1t n ALA 69 N 0.82 2.53 0.09 5.13 0.00 -1.26 -3.34 120.51 124.48 3i1t n ALA 69 Ca 0.33 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 3i1t n ALA 69 Cb 0.32 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 3i1t n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1t h GLU 70 N 0.04 0.31 -3.18 0.00 4.39 -1.98 -3.39 114.58 110.79 3i1t h GLU 70 Ca 0.00 -0.45 -0.70 0.00 0.34 0.00 0.00 59.36 58.54 3i1t h GLU 70 Cb 0.25 0.16 -0.36 0.00 -0.10 0.00 0.00 28.75 28.70 3i1t h GLU 70 CO 0.00 1.18 -0.07 1.63 -1.16 0.00 0.00 179.01 180.58 3i1t n LYS 71 N -3.61 2.77 0.00 2.33 4.01 -1.21 -4.36 118.16 118.08 3i1t n LYS 71 Ca -0.08 -4.50 0.00 0.00 -0.51 0.00 0.00 58.31 53.22 3i1t n LYS 71 Cb 0.95 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 3i1t n LYS 71 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3i1t n ILE 72 N 2.08 0.00 0.25 -0.18 0.13 -1.26 -4.92 119.36 115.47 3i1t n ILE 72 Ca 0.23 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.78 3i1t n ILE 72 Cb 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.12 3i1t n ILE 72 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 3i1t h ASN 73 N 0.00 -0.54 0.00 9.51 -1.24 -1.76 -1.90 115.58 119.65 3i1t h ASN 73 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3i1t h ASN 73 Cb 0.00 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.19 3i1t h ASN 73 CO 0.00 -0.37 0.00 0.00 -1.29 0.00 0.00 177.43 175.77 3i1t n ALA 74 N -2.35 2.40 -0.39 1.57 0.00 -1.26 -4.98 120.51 115.50 3i1t n ALA 74 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1t n ALA 74 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i1t n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1t n LEU 75 N -0.50 0.00 0.00 0.00 4.32 -0.72 -4.66 117.00 115.44 3i1t n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1t n LEU 75 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i1t n LEU 75 CO 0.00 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.38 3i1t n GLU 76 N 12.59 0.00 -1.13 3.23 0.00 -1.26 -4.00 120.64 130.07 3i1t n GLU 76 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 3i1t n GLU 76 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.51 3i1t n GLU 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i1t n THR 77 N 0.00 1.00 -3.19 6.31 -2.24 -1.26 -4.51 114.28 110.38 3i1t n THR 77 Ca 0.00 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 3i1t n THR 77 Cb 0.00 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 3i1t n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i1t s VAL 78 N -2.03 4.99 -0.95 2.28 1.01 -1.26 -4.60 120.40 119.84 3i1t s VAL 78 Ca 0.59 0.58 0.12 0.00 0.00 0.00 0.00 61.98 63.28 3i1t s VAL 78 Cb -0.31 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3i1t s VAL 78 CO 0.64 -0.16 0.65 0.35 0.00 0.00 0.00 175.10 176.58 3i1t n THR 79 N 5.40 0.00 -2.88 3.92 -2.24 -1.21 -4.39 114.28 112.88 3i1t n THR 79 Ca -0.03 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 3i1t n THR 79 Cb 0.49 1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3i1t n THR 79 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i1t s ILE 80 N -1.75 4.37 0.08 2.28 1.10 -1.26 -4.98 121.20 121.04 3i1t s ILE 80 Ca 0.08 1.55 -0.31 0.00 -0.51 0.00 0.00 60.65 61.46 3i1t s ILE 80 Cb 0.10 -3.81 -0.10 0.00 0.15 0.00 0.00 42.46 38.79 3i1t s ILE 80 CO 0.37 -0.03 1.90 0.00 -2.11 0.00 0.00 174.94 175.07 3i1t n ALA 81 N 0.09 1.88 -0.08 1.50 0.00 -1.26 -4.86 120.51 117.79 3i1t n ALA 81 Ca 0.03 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 3i1t n ALA 81 Cb 0.52 -2.63 -0.13 0.00 0.00 0.00 0.00 19.45 17.21 3i1t n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1t n SER 82 N 6.52 2.03 -0.65 0.00 2.88 -1.26 -4.97 113.62 118.17 3i1t n SER 82 Ca 0.19 0.06 0.03 0.00 -1.33 0.00 0.00 58.87 57.82 3i1t n SER 82 Cb 0.39 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 3i1t n SER 82 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3i1t n LYS 83 N -3.47 -1.61 0.00 -1.46 4.81 -1.26 -4.96 118.16 110.20 3i1t n LYS 83 Ca -0.40 1.28 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3i1t n LYS 83 Cb 0.99 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 34.34 3i1t n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1t n ALA 84 N -2.46 2.41 -0.65 3.14 0.00 -1.25 -4.52 120.51 117.18 3i1t n ALA 84 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3i1t n ALA 84 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 3i1t n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 85 N 2.62 -1.91 1.84 0.00 0.00 -1.26 -3.20 105.19 103.29 3i1t n GLY 85 Ca 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 3i1t n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1t n ASP 86 N -2.89 -0.81 -3.46 1.61 5.75 -1.26 -1.64 116.55 113.85 3i1t n ASP 86 Ca -0.01 0.27 -0.18 0.00 -0.01 0.00 0.00 54.79 54.86 3i1t n ASP 86 Cb 0.30 -0.98 0.07 0.00 -1.03 0.00 0.00 41.12 39.48 3i1t n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i1t n GLU 87 N -1.86 -5.09 0.00 0.11 -0.58 -1.26 -4.86 120.64 107.11 3i1t n GLU 87 Ca -0.01 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 3i1t n GLU 87 Cb 0.29 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.51 3i1t n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1t n GLY 88 N -1.26 -0.69 0.00 0.62 0.00 -0.65 -5.13 105.19 98.07 3i1t n GLY 88 Ca -0.24 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3i1t n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 89 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.67 118.16 118.60 3i1t n LYS 89 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1t n LYS 89 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1t n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1t n LEU 90 N 0.00 0.00 0.00 -0.35 0.00 -1.19 -3.81 117.00 111.64 3i1t n LEU 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i1t n LEU 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i1t n LEU 90 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 177.39 177.88 3i1t n PHE 91 N 0.00 0.00 -1.43 1.96 3.72 -1.26 -4.71 117.46 115.73 3i1t n PHE 91 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i1t n PHE 91 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i1t n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1t n GLY 92 N 0.00 -0.18 3.72 1.37 0.00 -1.26 -5.12 105.19 103.72 3i1t n GLY 92 Ca 0.00 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 3i1t n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1t s SER 93 N -4.00 6.89 0.00 1.61 1.04 -1.26 -4.94 113.70 113.04 3i1t s SER 93 Ca 0.00 1.07 0.23 0.00 0.48 0.00 0.00 55.95 57.73 3i1t s SER 93 Cb 0.00 -2.37 0.51 0.00 0.10 0.00 0.00 66.02 64.26 3i1t s SER 93 CO 0.00 -0.07 1.44 -0.38 0.98 0.00 0.00 173.24 175.21 3i1t n ILE 94 N 3.69 0.26 0.00 -1.02 2.08 -1.26 -5.03 119.36 118.08 3i1t n ILE 94 Ca -0.03 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.73 3i1t n ILE 94 Cb 0.51 0.90 0.00 0.00 -0.75 0.00 0.00 39.64 40.31 3i1t n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i1t n GLY 95 N 1.35 1.22 2.56 7.39 0.00 -1.26 -4.26 105.19 112.19 3i1t n GLY 95 Ca 0.17 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 3i1t n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1t n THR 96 N 0.00 1.50 0.00 2.61 -2.24 -1.26 -4.87 114.28 110.02 3i1t n THR 96 Ca 0.00 -4.64 0.00 0.00 -2.27 0.00 0.00 64.05 57.14 3i1t n THR 96 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3i1t n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i1t n ARG 97 N -0.09 0.00 0.00 -0.78 1.74 -1.26 -4.69 116.66 111.58 3i1t n ARG 97 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3i1t n ARG 97 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 3i1t n ARG 97 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i1t n ASP 98 N 0.00 0.00 0.00 0.55 4.64 -1.26 -4.66 116.55 115.82 3i1t n ASP 98 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i1t n ASP 98 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i1t n ASP 98 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 3i1t n ILE 99 N 0.00 0.00 -3.75 5.18 2.08 -1.26 -4.97 119.36 116.64 3i1t n ILE 99 Ca 0.00 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.94 3i1t n ILE 99 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 3i1t n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1t s ALA 100 N -1.57 3.11 -0.27 -1.39 0.00 -1.26 -4.85 121.76 115.53 3i1t s ALA 100 Ca 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 51.96 49.76 3i1t s ALA 100 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3i1t s ALA 100 CO 0.00 -1.59 -0.01 0.34 0.00 0.00 0.00 175.76 174.50 3i1t s ASP 101 N 1.75 4.62 0.00 0.00 -1.08 -1.26 -5.04 116.67 115.65 3i1t s ASP 101 Ca 0.03 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 3i1t s ASP 101 Cb -0.22 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 3i1t s ASP 101 CO -0.01 -0.16 0.00 0.00 0.52 0.00 0.00 175.17 175.52 3i1t n ALA 102 N 4.72 0.00 0.73 3.66 0.00 -1.26 -3.35 120.51 125.01 3i1t n ALA 102 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i1t n ALA 102 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i1t n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1t n VAL 103 N 0.00 0.44 -0.65 0.00 0.24 -1.26 -4.72 118.33 112.38 3i1t n VAL 103 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1t n VAL 103 Cb 0.00 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3i1t n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1t n THR 104 N 0.44 0.00 -3.15 3.34 5.66 -1.26 -4.77 114.28 114.53 3i1t n THR 104 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 3i1t n THR 104 Cb 0.29 -0.65 -0.00 0.00 -1.55 0.00 0.00 70.33 68.42 3i1t n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1t s ALA 105 N -0.68 -4.32 0.00 1.79 0.00 -1.26 -5.09 121.76 112.20 3i1t s ALA 105 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3i1t s ALA 105 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3i1t s ALA 105 CO 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 175.76 173.67 3i1t n ALA 106 N 5.09 0.00 -0.39 0.00 0.00 -1.26 -5.02 120.51 118.93 3i1t n ALA 106 Ca 0.08 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.85 3i1t n ALA 106 Cb 0.58 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.66 3i1t n ALA 106 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1t h GLY 107 N 0.00 0.95 -2.92 0.00 0.00 -2.03 -3.40 103.07 95.68 3i1t h GLY 107 Ca 0.00 -0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.72 3i1t h GLY 107 CO 0.00 -0.20 -0.22 -1.34 0.00 0.00 0.00 176.54 174.78 3i1t s VAL 108 N -5.28 5.12 0.00 4.60 -7.23 -1.26 -5.10 120.40 111.24 3i1t s VAL 108 Ca -0.07 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3i1t s VAL 108 Cb 0.27 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3i1t s VAL 108 CO 0.81 -0.46 0.00 -0.62 -0.31 0.00 0.00 175.10 174.52 3i1t n GLU 109 N -1.50 3.06 -4.11 4.82 4.71 -1.26 -4.85 120.64 121.50 3i1t n GLU 109 Ca -0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.77 3i1t n GLU 109 Cb 0.56 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.84 3i1t n GLU 109 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i1t s VAL 110 N 1.36 2.76 0.00 2.62 -7.23 -1.26 -5.03 120.40 113.62 3i1t s VAL 110 Ca 0.00 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3i1t s VAL 110 Cb 0.00 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3i1t s VAL 110 CO 0.00 0.48 0.00 0.00 -0.31 0.00 0.00 175.10 175.27 3i1t n ALA 111 N 4.57 0.00 -2.88 1.32 0.00 -1.26 -5.19 120.51 117.07 3i1t n ALA 111 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3i1t n ALA 111 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i1t n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1t n LYS 112 N 0.00 3.93 -1.97 0.00 5.02 -1.26 -4.99 118.16 118.89 3i1t n LYS 112 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3i1t n LYS 112 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3i1t n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i1t n SER 113 N 0.00 7.76 0.22 4.39 7.64 -1.26 -4.69 113.62 127.68 3i1t n SER 113 Ca 0.00 -3.21 0.07 0.00 1.01 0.00 0.00 58.87 56.74 3i1t n SER 113 Cb 0.00 -1.32 0.52 0.00 -1.01 0.00 0.00 64.21 62.39 3i1t n SER 113 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3i1t h GLU 114 N 4.31 0.00 -7.32 1.43 5.08 -1.96 -3.44 114.58 112.68 3i1t h GLU 114 Ca 0.64 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.56 3i1t h GLU 114 Cb 0.36 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.78 3i1t h GLU 114 CO 1.36 0.23 0.15 0.14 -1.00 0.00 0.00 179.01 179.89 3i1t s VAL 115 N -4.32 1.97 0.29 3.13 -7.23 -1.26 -3.82 120.40 109.15 3i1t s VAL 115 Ca -0.03 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 3i1t s VAL 115 Cb 0.14 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3i1t s VAL 115 CO 0.67 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 175.59 3i1t s ARG 116 N -4.91 1.53 -0.29 4.82 1.70 -1.10 -4.97 118.95 115.73 3i1t s ARG 116 Ca 0.66 -1.86 -0.17 0.00 -0.47 0.00 0.00 55.73 53.89 3i1t s ARG 116 Cb -0.19 -0.20 0.12 0.00 -0.57 0.00 0.00 34.95 34.11 3i1t s ARG 116 CO 0.59 -0.38 0.90 -0.51 -1.08 0.00 0.00 175.30 174.82 3i1t s LEU 117 N -3.36 -0.62 0.45 -1.89 1.43 -1.26 -4.63 118.68 108.81 3i1t s LEU 117 Ca 0.36 1.02 0.23 0.00 -1.03 0.00 0.00 54.13 54.71 3i1t s LEU 117 Cb 0.06 1.95 1.25 0.00 0.03 0.00 0.00 46.19 49.48 3i1t s LEU 117 CO 0.16 -0.16 1.66 -0.65 0.23 0.00 0.00 176.35 177.59 3i1t h PRO 118 N 6.05 0.00 0.00 1.29 0.11 -2.02 -3.43 132.00 134.00 3i1t h PRO 118 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i1t h PRO 118 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i1t h PRO 118 CO 0.17 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.05 3i1t n ASN 119 N -2.44 1.63 -3.80 -2.05 4.13 -1.26 -5.06 115.26 106.41 3i1t n ASN 119 Ca -0.02 -0.56 -0.42 0.00 1.68 0.00 0.00 54.58 55.27 3i1t n ASN 119 Cb 0.25 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.49 3i1t n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i1t n GLY 120 N 4.08 5.12 1.25 7.41 0.00 -1.26 -4.76 105.19 117.03 3i1t n GLY 120 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 3i1t n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1t n VAL 121 N 2.10 -2.30 -3.01 1.61 0.31 -1.26 -4.82 118.33 110.95 3i1t n VAL 121 Ca 0.41 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.36 3i1t n VAL 121 Cb 0.32 -3.03 -0.06 0.00 -0.91 0.00 0.00 33.84 30.16 3i1t n VAL 121 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i1t s LEU 122 N 0.00 4.46 0.00 7.52 1.43 -1.26 -4.92 118.68 125.91 3i1t s LEU 122 Ca 0.00 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3i1t s LEU 122 Cb 0.00 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3i1t s LEU 122 CO 0.00 0.11 0.69 0.54 0.23 0.00 0.00 176.35 177.91 3i1t n ARG 123 N 1.11 1.25 -1.64 1.70 1.74 -1.26 -5.02 116.66 114.55 3i1t n ARG 123 Ca -0.04 -0.91 -0.27 0.00 -0.77 0.00 0.00 57.85 55.87 3i1t n ARG 123 Cb 0.50 -0.76 -0.05 0.00 -1.02 0.00 0.00 32.46 31.13 3i1t n ARG 123 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i1t s THR 124 N -0.44 3.07 -0.18 0.55 2.01 -1.26 -3.90 115.64 115.49 3i1t s THR 124 Ca 0.00 -0.01 -0.32 0.00 0.31 0.00 0.00 61.69 61.67 3i1t s THR 124 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 3i1t s THR 124 CO 0.00 -0.15 2.07 0.35 -0.69 0.00 0.00 174.62 176.19 3i1t n THR 125 N 8.22 0.43 0.00 -0.82 -2.24 -1.26 -4.47 114.28 114.15 3i1t n THR 125 Ca 0.39 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3i1t n THR 125 Cb 0.50 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 3i1t n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 126 N 5.34 -1.66 3.20 3.38 0.00 -1.26 -5.09 105.19 109.11 3i1t n GLY 126 Ca 0.29 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.89 3i1t n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1t s GLU 127 N 0.00 0.94 -0.24 1.61 2.12 -1.26 -4.38 118.70 117.49 3i1t s GLU 127 Ca 0.00 -1.39 -0.03 0.00 0.36 0.00 0.00 54.97 53.91 3i1t s GLU 127 Cb 0.00 -0.36 0.11 0.00 0.26 0.00 0.00 34.13 34.14 3i1t s GLU 127 CO 0.00 0.00 0.25 -1.01 -0.54 0.00 0.00 175.26 173.97 3i1t s HIS 128 N -3.52 -0.35 -0.66 5.30 3.76 -1.26 -4.89 115.29 113.67 3i1t s HIS 128 Ca 0.15 0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.16 3i1t s HIS 128 Cb 0.04 -0.38 0.43 0.00 1.11 0.00 0.00 32.58 33.78 3i1t s HIS 128 CO -0.02 -0.72 1.91 0.39 -0.85 0.00 0.00 174.74 175.46 3i1t n GLU 129 N 5.32 2.83 -0.84 1.40 4.71 -1.25 -2.72 120.64 130.08 3i1t n GLU 129 Ca -0.04 -3.48 -0.29 0.00 -0.01 0.00 0.00 57.16 53.33 3i1t n GLU 129 Cb 0.48 -2.28 0.19 0.00 -1.01 0.00 0.00 31.44 28.82 3i1t n GLU 129 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i1t s VAL 130 N -4.89 2.25 0.26 2.62 -7.23 -1.26 -4.75 120.40 107.40 3i1t s VAL 130 Ca 0.60 0.08 0.10 0.00 -1.81 0.00 0.00 61.98 60.95 3i1t s VAL 130 Cb 0.48 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3i1t s VAL 130 CO -0.10 -0.10 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.56 3i1t s SER 131 N -2.92 4.16 0.01 4.85 1.04 -1.26 -4.07 113.70 115.52 3i1t s SER 131 Ca 0.66 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 3i1t s SER 131 Cb -0.22 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 3i1t s SER 131 CO 0.60 0.03 0.00 0.12 0.98 0.00 0.00 173.24 174.97 3i1t s PHE 132 N -2.30 0.12 -0.05 5.02 5.36 -1.26 -2.70 117.98 122.15 3i1t s PHE 132 Ca 0.30 -0.24 0.04 0.00 -0.96 0.00 0.00 56.93 56.07 3i1t s PHE 132 Cb -0.06 -0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.53 3i1t s PHE 132 CO 0.17 -0.11 -0.17 -0.65 -1.46 0.00 0.00 175.22 173.00 3i1t s GLN 133 N -0.77 1.89 0.00 10.12 1.11 -1.25 -3.85 119.66 126.91 3i1t s GLN 133 Ca -0.08 -0.60 0.00 0.00 0.01 0.00 0.00 55.36 54.68 3i1t s GLN 133 Cb -0.05 -1.60 0.00 0.00 -1.01 0.00 0.00 33.01 30.35 3i1t s GLN 133 CO -0.00 0.20 0.00 1.55 0.01 0.00 0.00 175.29 177.05 3i1t n VAL 134 N 3.29 0.00 -3.82 1.09 3.14 -1.26 -4.76 118.33 116.01 3i1t n VAL 134 Ca -0.19 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.11 3i1t n VAL 134 Cb 0.53 1.04 0.02 0.00 -1.06 0.00 0.00 33.84 34.37 3i1t n VAL 134 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i1t s HIS 135 N 0.00 0.07 -0.90 1.45 5.65 -1.26 -5.01 115.29 115.29 3i1t s HIS 135 Ca 0.00 -0.68 0.03 0.00 0.25 0.00 0.00 55.06 54.66 3i1t s HIS 135 Cb 0.00 0.80 0.19 0.00 -1.18 0.00 0.00 32.58 32.39 3i1t s HIS 135 CO 0.00 -1.44 0.81 0.43 -0.65 0.00 0.00 174.74 173.89 3i1t n SER 136 N -1.25 2.02 0.00 9.88 7.64 -1.26 -4.02 113.62 126.64 3i1t n SER 136 Ca -0.07 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.61 3i1t n SER 136 Cb 0.60 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3i1t n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1t n GLU 137 N 0.14 0.00 -2.36 1.43 1.02 -1.26 -5.03 120.64 114.58 3i1t n GLU 137 Ca 0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 3i1t n GLU 137 Cb 0.45 -0.27 -0.03 0.00 -0.02 0.00 0.00 31.44 31.56 3i1t n GLU 137 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i1t s VAL 138 N -1.00 3.41 0.00 2.62 1.01 -1.26 -4.40 120.40 120.78 3i1t s VAL 138 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3i1t s VAL 138 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3i1t s VAL 138 CO 0.00 0.25 0.00 0.49 0.00 0.00 0.00 175.10 175.84 3i1t n PHE 139 N 1.88 0.00 -3.65 5.22 3.01 -1.25 -4.37 117.46 118.30 3i1t n PHE 139 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 3i1t n PHE 139 Cb 0.44 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.84 3i1t n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1t s ALA 140 N -2.00 -1.59 -0.19 4.37 0.00 -1.25 -4.66 121.76 116.45 3i1t s ALA 140 Ca 0.00 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 53.65 3i1t s ALA 140 Cb 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 23.12 22.28 3i1t s ALA 140 CO 0.00 -0.31 0.20 0.15 0.00 0.00 0.00 175.76 175.80 3i1t s LYS 141 N 0.15 0.16 0.00 0.00 1.02 -1.26 -4.07 119.74 115.75 3i1t s LYS 141 Ca -0.01 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.19 3i1t s LYS 141 Cb -0.04 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 3i1t s LYS 141 CO 0.02 -0.62 0.00 1.33 -0.92 0.00 0.00 175.35 175.16 3i1t n VAL 142 N 5.32 0.00 -1.93 3.17 0.24 -1.25 -4.30 118.33 119.57 3i1t n VAL 142 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3i1t n VAL 142 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i1t n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1t n ILE 143 N 0.00 0.00 -3.11 1.34 -5.35 -1.10 -3.94 119.36 107.20 3i1t n ILE 143 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i1t n ILE 143 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i1t n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i1t n VAL 144 N 0.00 0.00 -3.52 7.28 0.24 -1.26 -4.26 118.33 116.81 3i1t n VAL 144 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3i1t n VAL 144 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3i1t n VAL 144 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3i1t s ASN 145 N -0.58 -0.39 0.22 -1.34 2.47 -1.26 -4.76 114.94 109.29 3i1t s ASN 145 Ca 0.00 0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.46 3i1t s ASN 145 Cb 0.00 0.38 -0.05 0.00 -1.45 0.00 0.00 41.25 40.13 3i1t s ASN 145 CO 0.00 -0.55 0.05 0.68 -3.72 0.00 0.00 177.10 173.56 3i1t s VAL 146 N -2.43 0.64 0.00 -5.21 -7.23 -1.26 -4.38 120.40 100.53 3i1t s VAL 146 Ca 0.02 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3i1t s VAL 146 Cb -0.01 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3i1t s VAL 146 CO -0.05 -0.23 0.00 1.33 -0.31 0.00 0.00 175.10 175.84 3i1t n VAL 147 N -0.36 0.00 -1.41 1.32 0.24 -1.26 -4.96 118.33 111.90 3i1t n VAL 147 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3i1t n VAL 147 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 3i1t n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1t n ALA 148 N -1.25 -2.81 1.73 2.33 0.00 -1.26 -4.83 120.51 114.42 3i1t n ALA 148 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i1t n ALA 148 Cb 0.00 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.27 3i1t n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59