#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ARG 2 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.01 116.66 109.93 3i1p n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1p n ARG 2 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 32.46 28.31 3i1p n ARG 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1p n VAL 3 N -2.00 0.00 0.70 5.15 0.24 -1.26 -4.82 118.33 116.34 3i1p n VAL 3 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3i1p n VAL 3 Cb 0.00 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 32.69 3i1p n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p n ALA 4 N -0.12 1.91 -0.01 2.33 0.00 -1.26 -2.12 120.51 121.26 3i1p n ALA 4 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3i1p n ALA 4 Cb 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 3i1p n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1p n LYS 5 N -0.99 0.70 -1.48 0.00 4.76 -1.26 -3.89 118.16 116.00 3i1p n LYS 5 Ca 0.08 0.28 -0.51 0.00 -2.87 0.00 0.00 58.31 55.29 3i1p n LYS 5 Cb 0.04 -1.76 -0.07 0.00 -1.84 0.00 0.00 35.03 31.40 3i1p n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1p n ALA 6 N -2.77 0.96 1.42 7.82 0.00 -0.90 -4.80 120.51 122.24 3i1p n ALA 6 Ca -0.24 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.22 3i1p n ALA 6 Cb 1.05 -2.51 0.13 0.00 0.00 0.00 0.00 19.45 18.11 3i1p n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1p n PRO 7 N 7.89 0.71 0.00 0.00 -0.02 -1.26 -4.78 135.00 137.53 3i1p n PRO 7 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i1p n PRO 7 Cb 0.22 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3i1p n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i1p n VAL 8 N -0.59 0.00 -1.47 -1.45 0.31 -1.25 -0.66 118.33 113.22 3i1p n VAL 8 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i1p n VAL 8 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3i1p n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i1p n VAL 9 N 0.00 -7.83 -3.83 2.52 0.31 -1.26 -5.03 118.33 103.20 3i1p n VAL 9 Ca 0.00 2.17 -0.12 0.00 -0.01 0.00 0.00 64.34 66.37 3i1p n VAL 9 Cb 0.00 -3.78 -0.13 0.00 -0.91 0.00 0.00 33.84 29.02 3i1p n VAL 9 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3i1p s VAL 10 N -0.87 0.00 0.00 2.52 -7.23 -1.26 -5.02 120.40 108.54 3i1p s VAL 10 Ca 0.00 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 3i1p s VAL 10 Cb 0.00 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.78 3i1p s VAL 10 CO 0.00 -0.00 0.00 -0.81 -0.31 0.00 0.00 175.10 173.98 3i1p n PRO 11 N 3.02 2.97 -2.20 4.82 -0.04 -1.26 -4.91 135.00 137.40 3i1p n PRO 11 Ca -0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 3i1p n PRO 11 Cb 0.59 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.11 3i1p n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1p s ALA 12 N -3.07 3.12 0.00 0.55 0.00 -1.26 -4.18 121.76 116.93 3i1p s ALA 12 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3i1p s ALA 12 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3i1p s ALA 12 CO 0.00 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.00 3i1p n GLY 13 N -2.87 1.59 3.56 0.00 0.00 -1.26 -4.97 105.19 101.23 3i1p n GLY 13 Ca 0.07 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3i1p n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1p n VAL 14 N 0.00 2.07 -0.04 1.61 0.24 -1.25 -4.64 118.33 116.31 3i1p n VAL 14 Ca 0.00 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 3i1p n VAL 14 Cb 0.00 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 31.47 3i1p n VAL 14 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i1p n ASP 15 N 1.10 0.95 -3.10 -1.34 2.03 -1.09 -4.92 116.55 110.19 3i1p n ASP 15 Ca 0.10 0.33 -0.03 0.00 0.52 0.00 0.00 54.79 55.71 3i1p n ASP 15 Cb 0.35 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 3i1p n ASP 15 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i1p n VAL 16 N -3.48 -9.69 -4.00 5.18 0.31 -1.24 -4.94 118.33 100.48 3i1p n VAL 16 Ca -0.05 -0.10 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 3i1p n VAL 16 Cb 0.19 -6.63 -0.14 0.00 -0.91 0.00 0.00 33.84 26.35 3i1p n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i1p s LYS 17 N -3.11 2.15 -0.48 5.55 2.47 -1.05 -5.05 119.74 120.22 3i1p s LYS 17 Ca 0.03 -1.44 -0.20 0.00 -1.56 0.00 0.00 55.97 52.80 3i1p s LYS 17 Cb -0.01 -3.07 0.04 0.00 -1.46 0.00 0.00 37.83 33.34 3i1p s LYS 17 CO 0.76 -0.68 0.63 -1.50 0.16 0.00 0.00 175.35 174.73 3i1p s ILE 18 N 1.11 4.85 0.17 5.43 2.07 -1.26 -3.12 121.20 130.46 3i1p s ILE 18 Ca -0.04 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 58.88 3i1p s ILE 18 Cb -0.20 -4.26 -0.07 0.00 0.13 0.00 0.00 42.46 38.06 3i1p s ILE 18 CO -0.04 -0.73 1.47 0.78 -1.91 0.00 0.00 174.94 174.51 3i1p h ASN 19 N 8.95 0.70 0.00 4.50 -0.26 -1.94 -3.49 115.58 124.05 3i1p h ASN 19 Ca -0.27 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.09 3i1p h ASN 19 Cb 1.10 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3i1p h ASN 19 CO 0.93 1.12 0.00 0.61 -1.06 0.00 0.00 177.43 179.03 3i1p n GLY 20 N 0.30 1.25 0.13 2.83 0.00 -1.26 -4.89 105.19 103.56 3i1p n GLY 20 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3i1p n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1p n GLN 21 N 0.00 0.70 -3.13 1.61 0.00 -1.26 -4.96 117.38 110.34 3i1p n GLN 21 Ca 0.00 0.22 -0.18 0.00 -0.00 0.00 0.00 57.00 57.04 3i1p n GLN 21 Cb 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 30.24 28.63 3i1p n GLN 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3i1p s VAL 22 N -2.53 3.29 -0.06 1.69 1.01 -1.26 -0.25 120.40 122.29 3i1p s VAL 22 Ca -0.29 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 3i1p s VAL 22 Cb 0.08 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3i1p s VAL 22 CO 0.67 -0.04 0.18 -0.63 0.00 0.00 0.00 175.10 175.28 3i1p s ILE 23 N -2.31 0.01 -0.04 2.22 1.01 -0.39 -2.92 121.20 118.78 3i1p s ILE 23 Ca 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 3i1p s ILE 23 Cb -0.10 -0.29 0.03 0.00 0.01 0.00 0.00 42.46 42.12 3i1p s ILE 23 CO 0.33 -0.05 0.07 0.42 0.00 0.00 0.00 174.94 175.70 3i1p s THR 24 N -0.10 -0.11 -0.32 2.92 -4.23 -1.18 -1.61 115.64 111.01 3i1p s THR 24 Ca -0.02 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.83 3i1p s THR 24 Cb -0.02 -0.15 0.06 0.00 1.34 0.00 0.00 72.50 73.73 3i1p s THR 24 CO 0.00 0.15 0.03 -0.63 -0.54 0.00 0.00 174.62 173.64 3i1p s ILE 25 N 1.85 2.97 -0.02 2.99 1.09 -1.25 -2.52 121.20 126.31 3i1p s ILE 25 Ca 0.00 -1.57 -0.26 0.00 -1.10 0.00 0.00 60.65 57.72 3i1p s ILE 25 Cb -0.12 -2.80 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 3i1p s ILE 25 CO -0.03 -0.24 0.80 -0.75 -0.10 0.00 0.00 174.94 174.62 3i1p s LYS 26 N 1.21 4.49 0.00 2.79 2.36 -1.26 -3.84 119.74 125.48 3i1p s LYS 26 Ca -0.02 1.10 0.00 0.00 -2.55 0.00 0.00 55.97 54.50 3i1p s LYS 26 Cb -0.20 -3.43 0.00 0.00 -1.05 0.00 0.00 37.83 33.15 3i1p s LYS 26 CO -0.02 0.08 0.00 0.41 1.55 0.00 0.00 175.35 177.37 3i1p n GLY 27 N 2.86 4.92 0.75 5.54 0.00 -1.12 -2.68 105.19 115.47 3i1p n GLY 27 Ca 0.01 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.33 3i1p n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 28 N 0.00 2.01 0.00 1.61 5.02 -0.62 -4.34 118.16 121.85 3i1p n LYS 28 Ca 0.00 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 3i1p n LYS 28 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3i1p n LYS 28 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i1p n ASN 29 N 0.76 0.00 -4.32 4.39 5.15 0.89 -4.96 115.26 117.17 3i1p n ASN 29 Ca 0.17 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.69 3i1p n ASN 29 Cb 0.45 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.68 3i1p n ASN 29 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3i1p s GLY 30 N -0.01 2.64 -1.15 8.20 0.00 0.28 -4.79 107.32 112.50 3i1p s GLY 30 Ca 0.00 -3.30 -0.22 0.00 0.00 0.00 0.00 44.72 41.21 3i1p s GLY 30 CO 0.00 1.25 1.81 1.85 0.00 0.00 0.00 173.10 178.01 3i1p s GLU 31 N 0.19 3.11 -0.14 2.90 2.12 -1.26 -2.80 118.70 122.82 3i1p s GLU 31 Ca 0.17 -1.26 -0.03 0.00 0.36 0.00 0.00 54.97 54.21 3i1p s GLU 31 Cb -0.11 -5.32 0.00 0.00 0.26 0.00 0.00 34.13 28.96 3i1p s GLU 31 CO -0.08 -3.10 0.11 1.28 -0.54 0.00 0.00 175.26 172.92 3i1p n LEU 32 N 11.72 -4.30 -4.40 2.70 4.32 -1.26 -4.98 117.00 120.80 3i1p n LEU 32 Ca 0.44 0.39 -0.45 0.00 -0.02 0.00 0.00 56.01 56.36 3i1p n LEU 32 Cb 0.47 -1.91 -0.02 0.00 -1.62 0.00 0.00 43.42 40.34 3i1p n LEU 32 CO 0.69 -1.08 0.74 0.42 -1.22 0.00 0.00 177.39 176.94 3i1p s THR 33 N -1.10 5.13 0.43 -5.08 -4.23 -1.25 -4.99 115.64 104.55 3i1p s THR 33 Ca 0.05 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.33 3i1p s THR 33 Cb -0.01 -4.64 -0.08 0.00 1.34 0.00 0.00 72.50 69.10 3i1p s THR 33 CO 0.30 -1.30 1.07 -0.13 -0.54 0.00 0.00 174.62 174.02 3i1p s ARG 34 N 1.53 3.98 -0.30 3.99 1.81 -1.26 -3.81 118.95 124.89 3i1p s ARG 34 Ca 0.26 1.54 -0.05 0.00 -1.72 0.00 0.00 55.73 55.76 3i1p s ARG 34 Cb -0.07 -2.40 0.16 0.00 -0.45 0.00 0.00 34.95 32.19 3i1p s ARG 34 CO -0.09 -0.31 0.62 0.95 -0.68 0.00 0.00 175.30 175.79 3i1p s THR 35 N -1.70 -1.00 0.51 0.02 -4.23 -0.63 -4.99 115.64 103.63 3i1p s THR 35 Ca 0.61 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.95 3i1p s THR 35 Cb -0.22 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.54 3i1p s THR 35 CO 0.27 -0.00 1.00 -0.76 -0.54 0.00 0.00 174.62 174.60 3i1p s LEU 36 N 2.88 3.68 0.48 4.79 1.02 -1.26 -1.27 118.68 128.99 3i1p s LEU 36 Ca 0.09 1.69 0.06 0.00 0.02 0.00 0.00 54.13 55.99 3i1p s LEU 36 Cb -0.14 -4.53 -0.00 0.00 0.02 0.00 0.00 46.19 41.55 3i1p s LEU 36 CO -0.20 -0.70 0.34 0.20 0.02 0.00 0.00 176.35 176.01 3i1p s ASN 37 N -2.72 4.70 0.00 2.29 -0.87 0.66 -4.94 114.94 114.06 3i1p s ASN 37 Ca 0.62 -1.07 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 3i1p s ASN 37 Cb -0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 3i1p s ASN 37 CO 0.28 -0.84 0.00 -0.90 -2.57 0.00 0.00 177.10 173.07 3i1p n ASP 38 N -1.58 2.80 -3.15 -1.22 5.75 -1.26 -4.93 116.55 112.95 3i1p n ASP 38 Ca -0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 3i1p n ASP 38 Cb 0.64 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.72 3i1p n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i1p s ALA 39 N -1.85 -4.27 0.00 2.12 0.00 -1.26 -5.17 121.76 111.32 3i1p s ALA 39 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3i1p s ALA 39 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3i1p s ALA 39 CO 0.00 -2.09 0.00 1.33 0.00 0.00 0.00 175.76 175.00 3i1p n VAL 40 N 5.09 0.00 -3.17 0.00 0.24 -1.26 -4.79 118.33 114.44 3i1p n VAL 40 Ca 0.09 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.21 3i1p n VAL 40 Cb 0.58 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3i1p n VAL 40 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1p n GLU 41 N 0.00 0.97 -1.68 7.34 4.07 0.85 -4.82 120.64 127.37 3i1p n GLU 41 Ca 0.00 -3.30 -0.45 0.00 -0.06 0.00 0.00 57.16 53.35 3i1p n GLU 41 Cb 0.00 -1.66 -0.04 0.00 -0.06 0.00 0.00 31.44 29.68 3i1p n GLU 41 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 3i1p n VAL 42 N 0.32 0.56 -4.15 6.31 3.14 -1.26 -2.86 118.33 120.38 3i1p n VAL 42 Ca 0.24 -0.10 -0.16 0.00 -2.96 0.00 0.00 64.34 61.35 3i1p n VAL 42 Cb 0.66 -2.03 -0.12 0.00 -1.06 0.00 0.00 33.84 31.29 3i1p n VAL 42 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3i1p s LYS 43 N 3.70 0.77 -0.00 1.45 1.02 -1.16 -5.00 119.74 120.52 3i1p s LYS 43 Ca 0.89 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.98 3i1p s LYS 43 Cb -0.57 -0.66 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3i1p s LYS 43 CO 0.45 0.14 0.23 1.58 -0.92 0.00 0.00 175.35 176.83 3i1p n HIS 44 N 1.16 0.00 0.00 3.18 -0.00 -1.26 -1.71 115.22 116.59 3i1p n HIS 44 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 3i1p n HIS 44 Cb 0.55 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3i1p n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1p n ALA 45 N -1.27 0.00 0.00 1.57 0.00 -1.26 -2.51 120.51 117.04 3i1p n ALA 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i1p n ALA 45 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i1p n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1p n ASP 46 N 2.01 0.00 -0.37 0.00 10.43 -1.26 -4.97 116.55 122.39 3i1p n ASP 46 Ca 0.00 0.00 0.02 0.00 2.57 0.00 0.00 54.79 57.38 3i1p n ASP 46 Cb 0.00 0.08 0.03 0.00 1.84 0.00 0.00 41.12 43.08 3i1p n ASP 46 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3i1p n ASN 47 N -1.45 0.55 0.00 -2.24 3.02 -1.23 -5.05 115.26 108.86 3i1p n ASN 47 Ca 0.00 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 3i1p n ASN 47 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3i1p n ASN 47 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i1p n THR 48 N -0.33 0.00 0.00 3.41 -2.24 -1.04 -4.46 114.28 109.62 3i1p n THR 48 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3i1p n THR 48 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3i1p n THR 48 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i1p n LEU 49 N 0.00 0.00 -4.49 3.22 7.94 0.17 -4.44 117.00 119.39 3i1p n LEU 49 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3i1p n LEU 49 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 3i1p n LEU 49 CO 0.00 0.00 -0.44 -0.89 -1.11 0.00 0.00 177.39 174.95 3i1p s THR 50 N 0.00 3.17 0.51 1.96 2.01 -0.70 -3.93 115.64 118.66 3i1p s THR 50 Ca 0.00 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.37 3i1p s THR 50 Cb 0.00 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3i1p s THR 50 CO 0.00 0.59 0.30 -0.36 -0.69 0.00 0.00 174.62 174.46 3i1p s PHE 51 N -0.69 1.92 0.35 4.92 0.08 -1.25 -2.97 117.98 120.34 3i1p s PHE 51 Ca 0.10 -0.79 -0.09 0.00 0.12 0.00 0.00 56.93 56.28 3i1p s PHE 51 Cb -0.11 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3i1p s PHE 51 CO 0.01 -0.23 0.60 0.20 -0.10 0.00 0.00 175.22 175.70 3i1p s GLY 52 N -4.14 0.93 0.00 4.36 0.00 -1.13 -4.80 107.32 102.54 3i1p s GLY 52 Ca 0.32 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3i1p s GLY 52 CO 0.19 -0.68 0.00 -1.55 0.00 0.00 0.00 173.10 171.06 3i1p n PRO 53 N -0.53 1.73 -4.02 2.90 -0.04 -1.26 -0.10 135.00 133.67 3i1p n PRO 53 Ca -0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 3i1p n PRO 53 Cb 0.61 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.98 3i1p n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i1p s ARG 54 N 0.84 0.82 -0.31 0.54 0.52 -1.26 -4.10 118.95 116.00 3i1p s ARG 54 Ca 0.00 -1.19 -0.32 0.00 -0.52 0.00 0.00 55.73 53.71 3i1p s ARG 54 Cb 0.00 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.66 3i1p s ARG 54 CO 0.00 -0.23 2.23 -3.47 0.02 0.00 0.00 175.30 173.85 3i1p n ASP 55 N -0.03 2.60 -3.75 0.23 -0.08 -1.26 -3.33 116.55 110.92 3i1p n ASP 55 Ca -0.11 0.26 -0.23 0.00 -1.51 0.00 0.00 54.79 53.19 3i1p n ASP 55 Cb 0.62 -1.40 0.03 0.00 2.34 0.00 0.00 41.12 42.71 3i1p n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1p n GLY 56 N 6.19 -0.33 1.48 0.27 0.00 -1.26 -4.99 105.19 106.56 3i1p n GLY 56 Ca 0.37 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 3i1p n GLY 56 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1p n TYR 57 N -4.37 0.37 -1.81 1.61 0.53 -1.21 -5.10 117.16 107.18 3i1p n TYR 57 Ca -0.23 -1.01 -0.41 0.00 -1.02 0.00 0.00 57.90 55.22 3i1p n TYR 57 Cb 0.65 -0.14 -0.01 0.00 -1.03 0.00 0.00 39.34 38.80 3i1p n TYR 57 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i1p s ALA 58 N -2.35 3.70 0.00 -0.72 0.00 -1.26 -4.08 121.76 117.05 3i1p s ALA 58 Ca 0.01 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3i1p s ALA 58 Cb -0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i1p s ALA 58 CO 0.01 -0.98 0.00 -0.40 0.00 0.00 0.00 175.76 174.39 3i1p n ASP 59 N 1.82 0.00 -4.55 0.00 5.68 -1.26 -4.86 116.55 113.38 3i1p n ASP 59 Ca 0.06 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.07 3i1p n ASP 59 Cb 0.38 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.54 3i1p n ASP 59 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3i1p s GLY 60 N -1.26 1.57 0.00 6.12 0.00 -1.26 -1.85 107.32 110.65 3i1p s GLY 60 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3i1p s GLY 60 CO 0.00 0.12 0.00 0.79 0.00 0.00 0.00 173.10 174.01 3i1p n TRP 61 N -4.18 0.00 0.30 1.90 7.02 -1.26 -3.92 117.44 117.30 3i1p n TRP 61 Ca 0.07 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.74 3i1p n TRP 61 Cb 0.58 0.00 0.92 0.00 -2.42 0.00 0.00 31.31 30.39 3i1p n TRP 61 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i1p h ALA 62 N 0.00 1.01 0.00 6.99 0.00 -1.92 0.42 119.26 125.76 3i1p h ALA 62 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1p h ALA 62 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1p h ALA 62 CO 0.00 0.01 -0.44 0.37 0.00 0.00 0.00 179.25 179.19 3i1p h GLN 63 N 0.00 0.00 0.02 0.00 5.75 -1.48 -3.29 115.11 116.10 3i1p h GLN 63 Ca -0.00 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 58.12 3i1p h GLN 63 Cb 0.29 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 3i1p h GLN 63 CO 0.00 0.00 -2.39 0.00 -2.65 0.00 0.00 178.83 173.79 3i1p n ALA 64 N -1.83 1.37 -0.37 3.38 0.00 0.25 -3.55 120.51 119.75 3i1p n ALA 64 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 53.44 52.41 3i1p n ALA 64 Cb 0.44 -0.20 0.13 0.00 0.00 0.00 0.00 19.45 19.82 3i1p n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1p h GLY 65 N 2.13 1.44 0.83 0.00 0.00 -0.45 0.49 103.07 107.50 3i1p h GLY 65 Ca -0.55 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 3i1p h GLY 65 CO -0.05 0.45 0.03 -0.91 0.00 0.00 0.00 176.54 176.07 3i1p h THR 66 N 1.29 1.19 -0.88 4.70 1.35 -1.76 0.84 112.91 119.65 3i1p h THR 66 Ca 0.39 -0.59 0.08 0.00 -0.55 0.00 0.00 66.41 65.74 3i1p h THR 66 Cb -0.05 1.34 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 3i1p h THR 66 CO -0.11 0.17 0.57 0.00 -0.25 0.00 0.00 175.52 175.90 3i1p h ALA 67 N 0.84 1.60 0.12 6.62 0.00 -1.41 0.06 119.26 127.10 3i1p h ALA 67 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i1p h ALA 67 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i1p h ALA 67 CO -0.00 0.23 -0.06 -0.09 0.00 0.00 0.00 179.25 179.34 3i1p h ARG 68 N 0.92 -0.15 -0.85 0.00 1.12 0.22 0.11 114.38 115.75 3i1p h ARG 68 Ca 0.40 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.37 3i1p h ARG 68 Cb 0.33 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 30.25 3i1p h ARG 68 CO -0.16 0.18 0.49 0.00 -3.11 0.00 0.00 179.97 177.38 3i1p h ALA 69 N 0.32 1.21 0.20 2.80 0.00 -0.08 0.42 119.26 124.14 3i1p h ALA 69 Ca -0.02 0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 3i1p h ALA 69 Cb 0.40 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i1p h ALA 69 CO 0.03 0.12 -1.52 1.37 0.00 0.00 0.00 179.25 179.25 3i1p h LEU 70 N 0.83 0.67 -0.20 0.00 8.10 -1.03 -2.97 115.31 120.71 3i1p h LEU 70 Ca 0.41 -0.80 -0.22 0.00 0.11 0.00 0.00 57.88 57.38 3i1p h LEU 70 Cb 0.37 -0.22 0.01 0.00 -0.44 0.00 0.00 40.66 40.37 3i1p h LEU 70 CO -0.25 1.64 -0.77 0.25 -4.11 0.00 0.00 178.44 175.21 3i1p h LEU 71 N 0.12 0.87 -0.21 0.17 7.12 -0.45 -0.37 115.31 122.57 3i1p h LEU 71 Ca -0.26 -0.57 -0.13 0.00 0.13 0.00 0.00 57.88 57.05 3i1p h LEU 71 Cb 2.11 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 3i1p h LEU 71 CO 0.23 1.36 -0.39 -0.55 -0.13 0.00 0.00 178.44 178.97 3i1p h ASN 72 N 0.50 0.70 0.46 1.25 -1.07 -0.31 -0.48 115.58 116.63 3i1p h ASN 72 Ca -0.05 -0.54 -0.04 0.00 0.07 0.00 0.00 56.30 55.74 3i1p h ASN 72 Cb 1.39 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 37.44 3i1p h ASN 72 CO 0.16 1.11 -0.21 0.77 0.07 0.00 0.00 177.43 179.33 3i1p h SER 73 N 0.32 0.00 -0.65 6.14 4.64 -1.58 0.11 113.55 122.53 3i1p h SER 73 Ca 0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3i1p h SER 73 Cb 0.98 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 3i1p h SER 73 CO 0.09 0.21 0.08 -0.03 -0.87 0.00 0.00 176.83 176.31 3i1p h MET 74 N 0.00 1.10 0.00 4.77 4.05 -0.63 -2.03 114.93 122.19 3i1p h MET 74 Ca -0.00 -0.30 -0.13 0.00 -0.28 0.00 0.00 59.70 58.98 3i1p h MET 74 Cb 0.50 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3i1p h MET 74 CO 0.03 1.02 -0.62 0.28 0.23 0.00 0.00 176.91 177.84 3i1p h VAL 75 N 1.02 1.39 0.00 -5.77 2.07 0.36 -1.20 116.25 114.13 3i1p h VAL 75 Ca 0.20 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3i1p h VAL 75 Cb 0.47 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3i1p h VAL 75 CO 0.02 0.61 0.00 -0.38 0.02 0.00 0.00 177.57 177.84 3i1p n ILE 76 N -3.71 0.68 -0.03 4.57 2.08 0.23 -3.49 119.36 119.70 3i1p n ILE 76 Ca -0.01 0.04 0.03 0.00 0.56 0.00 0.00 62.75 63.37 3i1p n ILE 76 Cb 0.64 -0.88 -0.13 0.00 -0.75 0.00 0.00 39.64 38.52 3i1p n ILE 76 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i1p n GLY 77 N 0.58 -0.77 0.15 7.39 0.00 -0.79 -3.56 105.19 108.20 3i1p n GLY 77 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i1p n GLY 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i1p h VAL 78 N 0.00 1.35 -0.94 1.61 -1.51 -1.27 -2.95 116.25 112.54 3i1p h VAL 78 Ca -0.15 -1.93 -0.46 0.00 -1.23 0.00 0.00 66.70 62.92 3i1p h VAL 78 Cb 1.19 2.05 -0.42 0.00 -2.13 0.00 0.00 31.29 31.99 3i1p h VAL 78 CO 0.01 0.54 -0.92 0.35 -1.23 0.00 0.00 177.57 176.32 3i1p n THR 79 N -3.81 1.96 0.05 7.19 -2.24 -1.25 -0.08 114.28 116.10 3i1p n THR 79 Ca -0.01 -3.95 0.00 0.00 -2.27 0.00 0.00 64.05 57.82 3i1p n THR 79 Cb 0.57 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3i1p n THR 79 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i1p n GLU 80 N -0.51 0.00 0.00 -0.78 0.00 -1.25 -4.89 120.64 113.21 3i1p n GLU 80 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3i1p n GLU 80 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.26 3i1p n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i1p n GLY 81 N -1.17 1.16 3.61 8.31 0.00 -1.11 -5.02 105.19 110.96 3i1p n GLY 81 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 3i1p n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1p s PHE 82 N -1.57 2.30 0.00 1.61 0.08 -1.20 -4.67 117.98 114.54 3i1p s PHE 82 Ca 0.00 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.27 3i1p s PHE 82 Cb 0.00 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3i1p s PHE 82 CO 0.00 0.32 0.00 0.25 -0.10 0.00 0.00 175.22 175.69 3i1p n THR 83 N -0.97 0.00 0.00 0.64 -2.24 -1.26 -4.53 114.28 105.92 3i1p n THR 83 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3i1p n THR 83 Cb 0.67 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3i1p n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i1p n LYS 84 N -0.45 0.00 0.00 -0.78 0.00 -1.26 -4.61 118.16 111.06 3i1p n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1p n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i1p n LYS 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3i1p n LYS 85 N -0.12 0.00 0.00 -1.58 2.85 -1.20 -4.90 118.16 113.21 3i1p n LYS 85 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i1p n LYS 85 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i1p n LYS 85 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i1p n LEU 86 N 0.00 0.00 -4.79 -5.58 4.77 -0.90 -4.79 117.00 105.71 3i1p n LEU 86 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3i1p n LEU 86 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1p n LEU 86 CO 0.00 0.00 0.74 0.00 -1.33 0.00 0.00 177.39 176.80 3i1p s GLN 87 N 0.00 3.45 0.03 3.23 -2.07 -1.16 -2.48 119.66 120.66 3i1p s GLN 87 Ca 0.00 1.40 -0.01 0.00 -1.82 0.00 0.00 55.36 54.93 3i1p s GLN 87 Cb 0.00 -2.04 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 3i1p s GLN 87 CO 0.00 -0.73 -0.02 -0.48 -1.32 0.00 0.00 175.29 172.74 3i1p s LEU 88 N -3.97 2.29 -0.03 2.60 0.05 0.50 -2.49 118.68 117.64 3i1p s LEU 88 Ca 0.68 -0.66 0.04 0.00 0.05 0.00 0.00 54.13 54.24 3i1p s LEU 88 Cb -0.19 0.16 -0.01 0.00 -2.05 0.00 0.00 46.19 44.11 3i1p s LEU 88 CO 0.28 -0.41 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.83 3i1p s VAL 89 N -2.32 1.28 0.00 1.48 1.01 -0.86 -4.86 120.40 116.13 3i1p s VAL 89 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3i1p s VAL 89 Cb -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3i1p s VAL 89 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3i1p n GLY 90 N 2.93 -0.40 0.00 4.51 0.00 -1.26 -3.23 105.19 107.74 3i1p n GLY 90 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3i1p n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1p n VAL 91 N 0.00 0.00 -0.25 1.61 0.24 -1.26 -4.91 118.33 113.76 3i1p n VAL 91 Ca 0.00 0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.57 3i1p n VAL 91 Cb 0.00 0.00 0.42 0.00 -1.47 0.00 0.00 33.84 32.79 3i1p n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1p n GLY 92 N 5.00 -0.68 0.00 7.63 0.00 -1.26 -4.68 105.19 111.20 3i1p n GLY 92 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3i1p n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1p n TYR 93 N -3.06 0.00 -2.79 1.61 0.53 0.15 -4.53 117.16 109.08 3i1p n TYR 93 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.11 3i1p n TYR 93 Cb 1.38 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.69 3i1p n TYR 93 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i1p n ARG 94 N 0.00 2.61 0.00 -0.72 1.85 -1.26 -4.57 116.66 114.56 3i1p n ARG 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i1p n ARG 94 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i1p n ARG 94 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1p n ALA 95 N -3.00 0.00 0.08 2.89 0.00 -1.23 -4.63 120.51 114.62 3i1p n ALA 95 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3i1p n ALA 95 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i1p n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 96 N 0.00 0.49 -6.91 0.00 0.00 -1.88 -3.43 119.26 107.53 3i1p h ALA 96 Ca 0.00 -0.80 -0.51 0.00 0.00 0.00 0.00 54.91 53.60 3i1p h ALA 96 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i1p h ALA 96 CO 0.00 1.06 -0.92 1.33 0.00 0.00 0.00 179.25 180.72 3i1p n VAL 97 N -3.52 -2.44 -1.79 0.00 0.24 -1.23 -4.82 118.33 104.77 3i1p n VAL 97 Ca -0.02 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 3i1p n VAL 97 Cb 0.85 -2.11 -0.01 0.00 -1.47 0.00 0.00 33.84 31.11 3i1p n VAL 97 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1p n LYS 98 N -4.02 3.42 0.00 7.34 5.02 -0.72 -4.80 118.16 124.40 3i1p n LYS 98 Ca -0.15 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 3i1p n LYS 98 Cb 0.53 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 3i1p n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 99 N 3.42 2.34 0.00 0.72 0.00 -1.26 -2.93 105.19 107.48 3i1p n GLY 99 Ca 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.50 3i1p n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i1p n ASN 100 N 4.75 4.28 -4.65 1.61 6.94 -1.26 -4.50 115.26 122.42 3i1p n ASN 100 Ca 0.00 -0.01 -0.43 0.00 -0.02 0.00 0.00 54.58 54.12 3i1p n ASN 100 Cb 0.00 1.12 -0.02 0.00 -2.36 0.00 0.00 39.78 38.52 3i1p n ASN 100 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i1p s VAL 101 N -2.17 3.86 -0.24 3.53 1.01 -1.15 -3.28 120.40 121.96 3i1p s VAL 101 Ca -0.01 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3i1p s VAL 101 Cb 0.02 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.74 3i1p s VAL 101 CO 0.11 -0.14 -0.12 -0.63 0.00 0.00 0.00 175.10 174.32 3i1p s ILE 102 N 4.06 2.30 0.05 2.22 1.01 -1.24 -1.75 121.20 127.84 3i1p s ILE 102 Ca 0.66 -1.32 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3i1p s ILE 102 Cb -0.27 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3i1p s ILE 102 CO 0.24 0.17 -0.16 0.20 0.00 0.00 0.00 174.94 175.40 3i1p s ASN 103 N 1.20 1.86 0.02 3.58 -0.87 -1.26 -3.60 114.94 115.87 3i1p s ASN 103 Ca -0.03 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.75 3i1p s ASN 103 Cb -0.17 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.25 40.92 3i1p s ASN 103 CO -0.07 0.04 -0.03 -0.76 -2.57 0.00 0.00 177.10 173.71 3i1p s LEU 104 N -1.29 2.21 -0.68 0.60 1.43 -1.26 -3.53 118.68 116.16 3i1p s LEU 104 Ca 0.02 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3i1p s LEU 104 Cb -0.08 0.07 0.17 0.00 0.03 0.00 0.00 46.19 46.38 3i1p s LEU 104 CO 0.02 -0.26 0.51 -0.55 0.23 0.00 0.00 176.35 176.29 3i1p s SER 105 N -1.29 5.29 -0.47 2.29 0.15 -1.26 -3.82 113.70 114.58 3i1p s SER 105 Ca -0.14 -3.15 0.04 0.00 0.70 0.00 0.00 55.95 53.41 3i1p s SER 105 Cb -0.09 -1.83 0.42 0.00 -1.71 0.00 0.00 66.02 62.81 3i1p s SER 105 CO -0.01 -0.29 1.34 0.18 1.20 0.00 0.00 173.24 175.66 3i1p n LEU 106 N 3.07 5.43 0.00 3.45 4.77 -1.26 0.33 117.00 132.79 3i1p n LEU 106 Ca 0.12 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.15 3i1p n LEU 106 Cb 0.37 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3i1p n LEU 106 CO 0.34 2.07 0.00 0.61 -1.33 0.00 0.00 177.39 179.08 3i1p n GLY 107 N -0.59 0.59 2.14 -0.72 0.00 -1.26 -4.95 105.19 100.40 3i1p n GLY 107 Ca 0.45 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3i1p n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1p n PHE 108 N -3.56 0.63 -0.13 1.61 3.01 -1.26 -5.08 117.46 112.68 3i1p n PHE 108 Ca 0.00 -1.50 -0.28 0.00 1.01 0.00 0.00 57.45 56.69 3i1p n PHE 108 Cb 0.41 -0.18 -0.09 0.00 -0.01 0.00 0.00 39.48 39.61 3i1p n PHE 108 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i1p n SER 109 N -1.24 1.95 -4.87 4.37 3.41 -1.26 -4.99 113.62 110.99 3i1p n SER 109 Ca -0.12 0.34 -0.31 0.00 -0.26 0.00 0.00 58.87 58.53 3i1p n SER 109 Cb 0.38 -0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3i1p n SER 109 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3i1p s HIS 110 N -2.54 3.58 0.56 7.33 0.00 -1.26 -5.10 115.29 117.87 3i1p s HIS 110 Ca -0.38 1.24 0.05 0.00 -3.00 0.00 0.00 55.06 52.98 3i1p s HIS 110 Cb 0.14 -2.66 0.10 0.00 -4.00 0.00 0.00 32.58 26.15 3i1p s HIS 110 CO 0.49 -0.55 0.77 -0.35 -1.00 0.00 0.00 174.74 174.09 3i1p n PRO 111 N -2.42 0.41 0.23 -0.38 -0.04 -1.26 -4.89 135.00 126.65 3i1p n PRO 111 Ca 0.05 -2.63 -0.17 0.00 -0.04 0.00 0.00 63.50 60.71 3i1p n PRO 111 Cb 0.54 -0.34 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 3i1p n PRO 111 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i1p h VAL 112 N -0.15 0.03 -0.15 0.52 2.07 -1.79 -3.46 116.25 113.31 3i1p h VAL 112 Ca -0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3i1p h VAL 112 Cb 1.09 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3i1p h VAL 112 CO 0.33 0.00 -0.06 0.47 0.02 0.00 0.00 177.57 178.33 3i1p n ASP 113 N -5.53 -4.42 -4.24 0.57 8.00 -1.24 -4.98 116.55 104.72 3i1p n ASP 113 Ca -0.11 0.08 -0.36 0.00 0.71 0.00 0.00 54.79 55.11 3i1p n ASP 113 Cb 0.44 -2.20 -0.13 0.00 -0.02 0.00 0.00 41.12 39.21 3i1p n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i1p s HIS 114 N -1.77 3.21 0.00 1.24 5.65 -1.24 -5.00 115.29 117.38 3i1p s HIS 114 Ca 0.00 -1.53 0.00 0.00 0.25 0.00 0.00 55.06 53.78 3i1p s HIS 114 Cb 0.00 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 3i1p s HIS 114 CO 0.00 -0.73 0.00 0.00 -0.65 0.00 0.00 174.74 173.36 3i1p n GLN 115 N 4.73 3.52 -4.83 2.88 0.00 -1.26 -3.72 117.38 118.71 3i1p n GLN 115 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.60 3i1p n GLN 115 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.54 3i1p n GLN 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i1p s LEU 116 N 0.00 2.10 0.00 2.61 1.43 -1.21 -4.83 118.68 118.78 3i1p s LEU 116 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3i1p s LEU 116 Cb 0.00 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3i1p s LEU 116 CO 0.00 0.21 0.00 -2.65 0.23 0.00 0.00 176.35 174.14 3i1p n PRO 117 N 2.23 3.08 -0.36 1.29 -0.02 -1.26 -4.77 135.00 135.19 3i1p n PRO 117 Ca -0.16 0.00 0.33 0.00 -2.02 0.00 0.00 63.50 61.65 3i1p n PRO 117 Cb 0.53 0.00 0.58 0.00 -0.02 0.00 0.00 33.50 34.59 3i1p n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p n ALA 118 N -3.00 1.09 0.00 3.55 0.00 -1.26 -4.11 120.51 116.78 3i1p n ALA 118 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 3i1p n ALA 118 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3i1p n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 119 N -1.35 -0.50 2.83 0.00 0.00 -1.26 -5.09 105.19 99.81 3i1p n GLY 119 Ca 0.36 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 3i1p n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1p s ILE 120 N 0.00 2.25 0.84 -0.61 -1.16 -1.26 -4.19 121.20 117.07 3i1p s ILE 120 Ca 0.00 -3.50 -0.12 0.00 -0.51 0.00 0.00 60.65 56.52 3i1p s ILE 120 Cb 0.00 -2.52 0.10 0.00 0.61 0.00 0.00 42.46 40.64 3i1p s ILE 120 CO 0.00 -0.95 1.15 0.42 -2.81 0.00 0.00 174.94 172.76 3i1p s THR 121 N -0.61 2.17 0.11 4.00 -4.23 -0.75 -4.62 115.64 111.72 3i1p s THR 121 Ca 0.22 0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.53 3i1p s THR 121 Cb -0.14 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.83 3i1p s THR 121 CO -0.09 -0.07 0.76 0.00 -0.54 0.00 0.00 174.62 174.68 3i1p s ALA 122 N -3.43 -1.64 0.00 3.99 0.00 -1.26 -0.37 121.76 119.05 3i1p s ALA 122 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3i1p s ALA 122 Cb -0.13 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3i1p s ALA 122 CO 0.51 -0.80 0.00 -1.91 0.00 0.00 0.00 175.76 173.56 3i1p n GLU 123 N -0.35 0.00 -3.61 0.00 0.00 -0.95 -4.75 120.64 110.99 3i1p n GLU 123 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.71 3i1p n GLU 123 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.02 3i1p n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p n PRO 125 N 0.53 0.00 0.00 0.00 -0.02 -1.26 -4.79 135.00 129.47 3i1p n PRO 125 Ca -0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3i1p n PRO 125 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3i1p n PRO 125 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i1p n THR 126 N -0.89 0.00 -0.72 3.45 -1.04 -1.26 -5.02 114.28 108.81 3i1p n THR 126 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1p n THR 126 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i1p n THR 126 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1p n GLN 127 N 0.00 0.38 0.07 -2.82 3.00 -1.26 -4.70 117.38 112.05 3i1p n GLN 127 Ca 0.00 -0.52 0.11 0.00 -0.01 0.00 0.00 57.00 56.59 3i1p n GLN 127 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 30.24 29.57 3i1p n GLN 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3i1p n THR 128 N -0.08 0.44 -4.50 5.09 -2.24 -1.26 -3.96 114.28 107.76 3i1p n THR 128 Ca 0.00 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 3i1p n THR 128 Cb 0.33 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 3i1p n THR 128 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i1p s GLU 129 N -3.38 1.76 -0.10 -0.78 -1.05 -1.26 0.19 118.70 114.07 3i1p s GLU 129 Ca -0.02 -2.00 -0.07 0.00 -0.15 0.00 0.00 54.97 52.73 3i1p s GLU 129 Cb 0.11 -1.03 0.04 0.00 -0.44 0.00 0.00 34.13 32.81 3i1p s GLU 129 CO 0.82 -0.19 0.26 0.42 0.95 0.00 0.00 175.26 177.51 3i1p s ILE 130 N -3.15 -0.02 -0.21 1.83 1.01 -1.03 -4.71 121.20 114.91 3i1p s ILE 130 Ca 0.34 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 3i1p s ILE 130 Cb 0.08 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.19 3i1p s ILE 130 CO 0.15 0.04 -0.13 0.68 0.00 0.00 0.00 174.94 175.68 3i1p s VAL 131 N 0.82 2.52 -0.20 2.92 -7.23 -1.26 -2.11 120.40 115.87 3i1p s VAL 131 Ca -0.06 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 3i1p s VAL 131 Cb -0.07 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3i1p s VAL 131 CO -0.05 0.39 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.31 3i1p s LEU 132 N 1.32 2.90 -0.11 1.32 1.02 -1.26 -2.23 118.68 121.64 3i1p s LEU 132 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.84 3i1p s LEU 132 Cb -0.15 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 3i1p s LEU 132 CO -0.08 0.03 -0.17 -0.54 0.02 0.00 0.00 176.35 175.61 3i1p s LYS 133 N 1.15 3.21 0.33 1.70 1.02 0.50 -4.27 119.74 123.38 3i1p s LYS 133 Ca 0.02 -0.76 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 3i1p s LYS 133 Cb -0.14 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3i1p s LYS 133 CO -0.01 0.23 0.51 0.20 -0.92 0.00 0.00 175.35 175.36 3i1p s GLY 134 N 0.28 1.17 -0.42 -3.33 0.00 -1.26 -1.81 107.32 101.95 3i1p s GLY 134 Ca -0.12 -1.31 0.05 0.00 0.00 0.00 0.00 44.72 43.33 3i1p s GLY 134 CO 0.06 -0.85 1.62 0.00 0.00 0.00 0.00 173.10 173.93 3i1p n ALA 135 N -0.52 5.25 -3.15 3.20 0.00 -1.26 -3.27 120.51 120.76 3i1p n ALA 135 Ca -0.01 -3.37 0.06 0.00 0.00 0.00 0.00 53.44 50.11 3i1p n ALA 135 Cb 0.61 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 3i1p n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1p s ASP 136 N -2.44 -0.29 0.54 0.00 3.68 -1.26 -4.76 116.67 112.14 3i1p s ASP 136 Ca 0.54 0.14 0.21 0.00 2.13 0.00 0.00 52.55 55.57 3i1p s ASP 136 Cb 0.45 1.23 1.41 0.00 -1.45 0.00 0.00 42.92 44.56 3i1p s ASP 136 CO 0.02 -0.05 2.13 0.50 0.13 0.00 0.00 175.17 177.90 3i1p h LYS 137 N 7.81 0.00 -0.00 4.34 3.64 -1.91 -2.03 116.57 128.43 3i1p h LYS 137 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3i1p h LYS 137 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3i1p h LYS 137 CO -0.15 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 177.97 3i1p n GLN 138 N -4.34 0.58 0.00 1.90 7.27 -1.26 -2.70 117.38 118.83 3i1p n GLN 138 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i1p n GLN 138 Cb 0.20 -1.00 0.00 0.00 2.41 0.00 0.00 30.24 31.85 3i1p n GLN 138 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i1p n VAL 139 N -0.50 0.00 1.29 1.69 0.31 -0.77 -4.28 118.33 116.07 3i1p n VAL 139 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3i1p n VAL 139 Cb 0.00 -0.46 0.64 0.00 -0.91 0.00 0.00 33.84 33.11 3i1p n VAL 139 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i1p n ILE 140 N -1.49 0.14 -0.03 2.52 -5.35 -1.10 0.12 119.36 114.16 3i1p n ILE 140 Ca 0.00 0.03 0.02 0.00 -0.27 0.00 0.00 62.75 62.53 3i1p n ILE 140 Cb 0.27 -0.66 -0.11 0.00 -1.74 0.00 0.00 39.64 37.39 3i1p n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1p n GLY 141 N 0.56 -0.68 0.09 3.28 0.00 -1.15 -4.13 105.19 103.16 3i1p n GLY 141 Ca 0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3i1p n GLY 141 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i1p h GLN 142 N 0.00 -0.08 0.00 1.61 5.75 -1.02 -0.38 115.11 120.99 3i1p h GLN 142 Ca -0.15 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3i1p h GLN 142 Cb 1.15 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.71 3i1p h GLN 142 CO 0.01 0.51 0.00 -0.39 -2.65 0.00 0.00 178.83 176.31 3i1p h VAL 143 N -0.84 0.00 -0.17 2.39 -1.51 -0.60 -1.70 116.25 113.81 3i1p h VAL 143 Ca -0.01 -0.48 -0.16 0.00 -1.23 0.00 0.00 66.70 64.81 3i1p h VAL 143 Cb 0.63 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 3i1p h VAL 143 CO 0.01 0.00 -0.57 0.00 -1.23 0.00 0.00 177.57 175.78 3i1p h ALA 144 N 2.24 0.68 0.00 5.19 0.00 -1.70 -2.90 119.26 122.77 3i1p h ALA 144 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i1p h ALA 144 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i1p h ALA 144 CO 0.00 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3i1p n ALA 145 N -2.52 1.75 -0.10 0.00 0.00 -0.16 -0.29 120.51 119.19 3i1p n ALA 145 Ca -0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 3i1p n ALA 145 Cb 0.62 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 3i1p n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1p n ASP 146 N -1.36 1.11 0.01 0.00 8.00 -1.12 -3.49 116.55 119.70 3i1p n ASP 146 Ca 0.06 -0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.35 3i1p n ASP 146 Cb 0.13 0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 3i1p n ASP 146 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i1p h LEU 147 N 0.01 0.32 -1.18 0.64 3.38 -1.23 -3.18 115.31 114.06 3i1p h LEU 147 Ca -0.54 -0.96 0.08 0.00 0.09 0.00 0.00 57.88 56.56 3i1p h LEU 147 Cb 2.06 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.65 3i1p h LEU 147 CO -0.02 1.28 0.58 0.08 0.09 0.00 0.00 178.44 180.45 3i1p h ARG 148 N -0.57 0.91 0.00 1.13 0.11 -0.87 -3.41 114.38 111.68 3i1p h ARG 148 Ca -0.11 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.92 3i1p h ARG 148 Cb 1.45 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3i1p h ARG 148 CO 0.10 0.60 0.00 0.00 0.10 0.00 0.00 179.97 180.77 3i1p n ALA 149 N -2.40 0.00 -0.48 0.08 0.00 -1.20 -2.40 120.51 114.11 3i1p n ALA 149 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i1p n ALA 149 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3i1p n ALA 149 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1p n TYR 150 N 0.00 0.00 0.00 0.00 0.53 -1.24 -2.42 117.16 114.03 3i1p n TYR 150 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3i1p n TYR 150 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3i1p n TYR 150 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i1p n ARG 151 N 0.00 0.00 -1.11 -0.72 3.00 -1.26 -5.10 116.66 111.47 3i1p n ARG 151 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 3i1p n ARG 151 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 32.46 31.70 3i1p n ARG 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i1p n ARG 152 N -1.23 -3.13 -1.40 -0.14 3.00 -1.01 -4.81 116.66 107.94 3i1p n ARG 152 Ca 0.00 2.27 -0.52 0.00 -0.00 0.00 0.00 57.85 59.60 3i1p n ARG 152 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 32.46 29.86 3i1p n ARG 152 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3i1p n PRO 153 N -0.14 0.78 -1.75 -0.14 -0.02 -1.26 -4.57 135.00 127.91 3i1p n PRO 153 Ca 0.00 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3i1p n PRO 153 Cb 0.00 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3i1p n PRO 153 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i1p s GLU 154 N 6.29 4.12 0.00 -0.52 0.41 -1.26 -4.79 118.70 122.96 3i1p s GLU 154 Ca 1.13 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 58.19 3i1p s GLU 154 Cb -1.01 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 27.21 3i1p s GLU 154 CO 0.53 -0.96 0.50 -0.35 -0.49 0.00 0.00 175.26 174.48 3i1p n PRO 155 N 7.49 0.00 -0.12 0.39 -0.04 -1.26 0.25 135.00 141.71 3i1p n PRO 155 Ca 0.20 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.55 3i1p n PRO 155 Cb 0.42 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 3i1p n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i1p n TYR 156 N -1.00 0.38 0.47 0.54 0.53 -1.26 -4.32 117.16 112.50 3i1p n TYR 156 Ca 0.00 0.16 0.05 0.00 -1.02 0.00 0.00 57.90 57.09 3i1p n TYR 156 Cb 0.18 -0.94 -0.04 0.00 -1.03 0.00 0.00 39.34 37.52 3i1p n TYR 156 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3i1p n LYS 157 N -4.37 3.06 -1.00 -0.72 5.02 -0.85 -4.82 118.16 114.48 3i1p n LYS 157 Ca -0.38 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 3i1p n LYS 157 Cb 0.72 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3i1p n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 158 N 1.12 0.18 3.44 0.72 0.00 0.14 -4.87 105.19 105.91 3i1p n GLY 158 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3i1p n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 159 N -0.41 1.37 0.00 1.61 4.81 -1.26 -4.51 118.16 119.78 3i1p n LYS 159 Ca 0.00 -2.16 0.00 0.00 -0.87 0.00 0.00 58.31 55.28 3i1p n LYS 159 Cb 0.32 -3.45 0.00 0.00 0.02 0.00 0.00 35.03 31.92 3i1p n LYS 159 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1p n GLY 160 N 5.42 4.01 3.08 3.14 0.00 -1.20 -4.16 105.19 115.48 3i1p n GLY 160 Ca 0.46 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3i1p n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 161 N -0.60 4.06 0.00 1.61 1.01 -1.26 -2.03 120.40 123.19 3i1p s VAL 161 Ca 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 61.98 58.29 3i1p s VAL 161 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3i1p s VAL 161 CO 0.00 -1.03 0.00 -2.11 0.00 0.00 0.00 175.10 171.96 3i1p n ARG 162 N 2.57 1.36 -3.15 2.72 0.00 -1.04 -4.46 116.66 114.65 3i1p n ARG 162 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.07 3i1p n ARG 162 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.82 3i1p n ARG 162 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 3i1p s TYR 163 N 0.47 -1.25 0.00 2.89 -0.00 -1.26 -3.01 117.35 115.19 3i1p s TYR 163 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 57.07 58.28 3i1p s TYR 163 Cb 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 41.96 42.36 3i1p s TYR 163 CO 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 175.55 174.86 3i1p n ALA 164 N 5.42 -0.38 0.00 9.51 0.00 -1.26 -3.02 120.51 130.78 3i1p n ALA 164 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1p n ALA 164 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1p n ALA 164 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1p n ASP 165 N 0.27 0.00 -4.23 0.00 2.03 -1.26 -5.04 116.55 108.32 3i1p n ASP 165 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 3i1p n ASP 165 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 3i1p n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3i1p n GLU 166 N 0.00 -0.69 -0.05 -0.67 0.00 -1.17 -5.01 120.64 113.05 3i1p n GLU 166 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 57.16 56.92 3i1p n GLU 166 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 31.44 29.90 3i1p n GLU 166 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3i1p n VAL 167 N -3.72 1.07 -3.68 3.84 0.24 -1.26 -5.03 118.33 109.79 3i1p n VAL 167 Ca 0.02 0.25 -0.22 0.00 -2.04 0.00 0.00 64.34 62.34 3i1p n VAL 167 Cb 0.61 -2.03 0.04 0.00 -1.47 0.00 0.00 33.84 30.98 3i1p n VAL 167 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3i1p n VAL 168 N -3.84 -4.83 0.00 3.34 0.31 -1.26 -4.92 118.33 107.13 3i1p n VAL 168 Ca -0.09 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 3i1p n VAL 168 Cb 0.33 -3.97 0.00 0.00 -0.91 0.00 0.00 33.84 29.29 3i1p n VAL 168 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1p n ARG 169 N -4.21 0.00 -0.22 5.55 1.74 -1.26 -4.98 116.66 113.29 3i1p n ARG 169 Ca -0.27 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3i1p n ARG 169 Cb 0.67 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3i1p n ARG 169 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i1p n THR 170 N -1.22 -1.57 -4.42 0.55 -1.04 -1.26 -5.10 114.28 100.23 3i1p n THR 170 Ca 0.00 0.32 -0.27 0.00 -2.04 0.00 0.00 64.05 62.05 3i1p n THR 170 Cb 0.00 -0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.59 3i1p n THR 170 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1p n LYS 171 N -0.67 0.86 -2.48 -2.82 4.76 -1.26 -5.13 118.16 111.42 3i1p n LYS 171 Ca 0.00 -3.23 -0.25 0.00 -2.87 0.00 0.00 58.31 51.96 3i1p n LYS 171 Cb 0.00 0.71 0.04 0.00 -1.84 0.00 0.00 35.03 33.94 3i1p n LYS 171 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i1p s GLU 172 N -3.75 2.76 -0.29 1.97 2.02 -1.26 -4.91 118.70 115.24 3i1p s GLU 172 Ca 0.09 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 3i1p s GLU 172 Cb -0.01 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3i1p s GLU 172 CO 0.05 -0.73 1.56 0.00 0.02 0.00 0.00 175.26 176.16 3i1p s ALA 173 N -2.94 3.16 -0.46 5.21 0.00 -1.26 -4.85 121.76 120.62 3i1p s ALA 173 Ca 0.55 0.24 -0.41 0.00 0.00 0.00 0.00 51.96 52.33 3i1p s ALA 173 Cb -0.10 -3.89 -0.18 0.00 0.00 0.00 0.00 23.12 18.95 3i1p s ALA 173 CO 0.43 -2.14 1.93 1.17 0.00 0.00 0.00 175.76 177.15 3i1p n LYS 174 N 7.84 0.00 -1.66 0.00 4.81 -1.26 -4.81 118.16 123.08 3i1p n LYS 174 Ca 0.18 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.20 3i1p n LYS 174 Cb 0.46 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 3i1p n LYS 174 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3i1p s LYS 175 N 5.29 3.69 0.00 1.64 2.36 -1.26 -5.34 119.74 126.11 3i1p s LYS 175 Ca 1.10 2.33 0.26 0.00 -2.55 0.00 0.00 55.97 57.11 3i1p s LYS 175 Cb -1.39 -4.25 1.55 0.00 -1.05 0.00 0.00 37.83 32.69 3i1p s LYS 175 CO 0.62 -1.47 1.91 0.36 1.55 0.00 0.00 175.35 178.32