#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LEU 2 N 0.00 0.00 0.00 4.03 4.32 -1.26 -4.87 117.00 119.21 3i1p n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1p n LEU 2 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i1p n LEU 2 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 3i1p n GLN 3 N 0.23 0.00 -1.67 3.23 10.64 -1.26 -4.67 117.38 123.88 3i1p n GLN 3 Ca 0.00 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 54.72 3i1p n GLN 3 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 3i1p n GLN 3 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 3i1p n PRO 4 N -0.00 2.07 -0.23 2.61 -0.04 -1.26 -4.84 135.00 133.31 3i1p n PRO 4 Ca 0.00 0.74 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 3i1p n PRO 4 Cb 0.00 -2.44 0.31 0.00 -0.04 0.00 0.00 33.50 31.33 3i1p n PRO 4 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i1p h LYS 5 N 4.91 0.83 -4.00 0.54 1.63 -2.03 -3.44 116.57 115.02 3i1p h LYS 5 Ca -0.45 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.10 3i1p h LYS 5 Cb 1.27 -0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 32.62 3i1p h LYS 5 CO 0.81 0.55 -0.20 -0.98 -3.45 0.00 0.00 179.45 176.18 3i1p s ARG 6 N -5.76 1.73 -0.28 1.90 1.70 -1.26 -5.18 118.95 111.80 3i1p s ARG 6 Ca -0.10 -1.58 -0.16 0.00 -0.47 0.00 0.00 55.73 53.41 3i1p s ARG 6 Cb 0.19 0.44 0.10 0.00 -0.57 0.00 0.00 34.95 35.12 3i1p s ARG 6 CO 0.78 -0.71 0.79 0.99 -1.08 0.00 0.00 175.30 176.08 3i1p s THR 7 N -3.45 0.00 -2.00 4.99 2.01 -1.26 -5.02 115.64 110.91 3i1p s THR 7 Ca 0.29 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.31 3i1p s THR 7 Cb 0.00 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.58 3i1p s THR 7 CO 0.16 0.00 0.49 0.29 -0.69 0.00 0.00 174.62 174.86 3i1p n LYS 8 N 4.07 0.32 -3.45 4.92 4.01 -1.26 -4.30 118.16 122.47 3i1p n LYS 8 Ca -0.19 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.51 3i1p n LYS 8 Cb 0.58 -1.11 -0.09 0.00 -0.51 0.00 0.00 35.03 33.90 3i1p n LYS 8 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3i1p s PHE 9 N -2.00 -0.79 0.08 2.13 0.08 -1.26 -5.06 117.98 111.16 3i1p s PHE 9 Ca 0.03 1.00 -0.29 0.00 0.12 0.00 0.00 56.93 57.80 3i1p s PHE 9 Cb 0.02 0.08 -0.17 0.00 -0.57 0.00 0.00 43.02 42.37 3i1p s PHE 9 CO 0.03 -0.64 1.66 0.00 -0.10 0.00 0.00 175.22 176.17 3i1p h ARG 10 N 8.19 -0.49 -6.05 0.44 2.47 -2.03 -3.44 114.38 113.46 3i1p h ARG 10 Ca -0.18 0.03 -0.59 0.00 -1.26 0.00 0.00 59.98 57.98 3i1p h ARG 10 Cb 1.14 0.11 -0.27 0.00 -1.65 0.00 0.00 29.97 29.30 3i1p h ARG 10 CO 0.23 -0.32 -0.85 0.15 0.56 0.00 0.00 179.97 179.74 3i1p s LYS 11 N -6.06 1.48 0.50 0.04 1.02 -1.26 -4.85 119.74 110.61 3i1p s LYS 11 Ca -0.16 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.03 3i1p s LYS 11 Cb 0.04 -1.54 0.09 0.00 -0.52 0.00 0.00 37.83 35.91 3i1p s LYS 11 CO 0.63 0.40 0.69 -1.33 -0.92 0.00 0.00 175.35 174.83 3i1p n MET 12 N 2.10 0.51 0.00 1.68 2.81 -1.26 -5.09 117.12 117.88 3i1p n MET 12 Ca -0.16 -2.46 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 3i1p n MET 12 Cb 0.53 -0.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.76 3i1p n MET 12 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i1p n HIS 13 N -2.17 0.00 0.00 2.03 8.25 -1.26 -4.98 115.22 117.09 3i1p n HIS 13 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3i1p n HIS 13 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3i1p n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3i1p n LYS 14 N -0.48 0.00 0.00 -0.41 4.81 -1.26 -5.05 118.16 115.77 3i1p n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1p n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i1p n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1p n GLY 15 N 0.00 1.54 0.00 3.14 0.00 -1.26 -4.92 105.19 103.68 3i1p n GLY 15 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3i1p n GLY 15 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1p n ARG 16 N 7.71 0.00 -0.84 1.61 1.85 -1.26 -5.16 116.66 120.58 3i1p n ARG 16 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 3i1p n ARG 16 Cb 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 31.55 3i1p n ARG 16 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i1p n ASN 17 N 0.00 -0.55 -2.64 2.89 3.02 -1.26 -4.99 115.26 111.74 3i1p n ASN 17 Ca 0.00 0.43 -0.01 0.00 -0.03 0.00 0.00 54.58 54.97 3i1p n ASN 17 Cb 0.00 -1.36 0.08 0.00 -0.61 0.00 0.00 39.78 37.88 3i1p n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1p n ARG 18 N -2.87 1.43 -0.93 3.52 5.12 -1.26 -5.15 116.66 116.53 3i1p n ARG 18 Ca 0.10 -2.35 0.12 0.00 -1.93 0.00 0.00 57.85 53.79 3i1p n ARG 18 Cb 0.52 -0.57 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 3i1p n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1p n GLY 19 N -0.95 -2.70 1.71 -0.13 0.00 -1.26 -5.05 105.19 96.82 3i1p n GLY 19 Ca -0.05 -1.22 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 3i1p n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1p n LEU 20 N -3.60 -3.04 -4.75 0.99 7.99 -1.26 -5.00 117.00 108.32 3i1p n LEU 20 Ca -0.04 0.23 -0.29 0.00 -0.01 0.00 0.00 56.01 55.90 3i1p n LEU 20 Cb 0.44 -1.41 0.15 0.00 -0.11 0.00 0.00 43.42 42.49 3i1p n LEU 20 CO 0.02 -0.54 0.69 0.00 -1.51 0.00 0.00 177.39 176.05 3i1p s ALA 21 N -0.43 1.47 -0.01 -1.18 0.00 -1.03 -4.98 121.76 115.61 3i1p s ALA 21 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3i1p s ALA 21 Cb -0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3i1p s ALA 21 CO 0.14 -2.51 0.04 1.04 0.00 0.00 0.00 175.76 174.46 3i1p n GLN 22 N -3.93 1.34 -3.29 0.00 1.13 -1.26 -4.85 117.38 106.52 3i1p n GLN 22 Ca 0.06 -0.02 -0.45 0.00 -1.94 0.00 0.00 57.00 54.66 3i1p n GLN 22 Cb 0.59 -1.07 -0.00 0.00 0.11 0.00 0.00 30.24 29.87 3i1p n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i1p s GLY 23 N -2.68 3.10 0.00 1.08 0.00 -1.26 -4.87 107.32 102.70 3i1p s GLY 23 Ca -0.01 -3.76 0.00 0.00 0.00 0.00 0.00 44.72 40.95 3i1p s GLY 23 CO 0.11 1.42 0.00 2.41 0.00 0.00 0.00 173.10 177.04 3i1p n THR 24 N 3.01 0.00 -0.52 0.90 -1.04 -1.26 -0.58 114.28 114.78 3i1p n THR 24 Ca 0.25 0.45 -0.29 0.00 -2.04 0.00 0.00 64.05 62.41 3i1p n THR 24 Cb 0.40 -1.39 0.23 0.00 -1.82 0.00 0.00 70.33 67.75 3i1p n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i1p n ASP 25 N -2.12 -2.24 -4.34 8.00 10.43 -1.26 -4.63 116.55 120.39 3i1p n ASP 25 Ca 0.00 -0.23 -0.46 0.00 2.57 0.00 0.00 54.79 56.67 3i1p n ASP 25 Cb 0.00 -1.11 -0.04 0.00 1.84 0.00 0.00 41.12 41.81 3i1p n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i1p s VAL 26 N -2.31 5.23 -1.72 2.53 1.01 -1.26 -4.89 120.40 118.99 3i1p s VAL 26 Ca 0.64 -1.73 0.13 0.00 0.00 0.00 0.00 61.98 61.01 3i1p s VAL 26 Cb -0.20 -4.45 0.43 0.00 0.00 0.00 0.00 36.38 32.16 3i1p s VAL 26 CO 0.65 -1.03 1.33 -1.20 0.00 0.00 0.00 175.10 174.85 3i1p n SER 27 N 5.14 2.78 0.02 3.32 7.64 -1.26 -4.56 113.62 126.70 3i1p n SER 27 Ca -0.01 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.76 3i1p n SER 27 Cb 0.44 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3i1p n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i1p n PHE 28 N 0.77 -0.34 -2.53 1.43 3.72 -1.26 -5.13 117.46 114.13 3i1p n PHE 28 Ca 0.16 0.06 -0.24 0.00 -0.05 0.00 0.00 57.45 57.38 3i1p n PHE 28 Cb 0.48 0.48 0.12 0.00 -0.94 0.00 0.00 39.48 39.62 3i1p n PHE 28 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i1p s GLY 29 N -4.07 1.76 0.00 1.37 0.00 -1.26 -5.01 107.32 100.10 3i1p s GLY 29 Ca 0.00 -1.72 0.24 0.00 0.00 0.00 0.00 44.72 43.24 3i1p s GLY 29 CO 0.00 -1.11 1.33 -1.14 0.00 0.00 0.00 173.10 172.17 3i1p n SER 30 N -2.95 1.19 -3.82 1.64 3.41 -1.21 -4.85 113.62 107.03 3i1p n SER 30 Ca 0.16 -0.95 -0.18 0.00 -0.26 0.00 0.00 58.87 57.63 3i1p n SER 30 Cb 0.61 0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 64.75 3i1p n SER 30 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i1p s PHE 31 N -2.66 0.41 0.33 7.33 0.40 -1.19 -3.38 117.98 119.23 3i1p s PHE 31 Ca 0.18 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 3i1p s PHE 31 Cb 0.18 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 3i1p s PHE 31 CO 0.61 -0.16 0.28 0.41 0.70 0.00 0.00 175.22 177.07 3i1p n GLY 32 N 4.26 2.91 3.03 4.36 0.00 -1.08 0.18 105.19 118.85 3i1p n GLY 32 Ca -0.24 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3i1p n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1p s LEU 33 N 0.00 2.14 0.38 0.99 0.20 -1.10 -1.87 118.68 119.42 3i1p s LEU 33 Ca 0.39 -0.76 -0.24 0.00 0.69 0.00 0.00 54.13 54.21 3i1p s LEU 33 Cb 0.02 -1.27 -0.10 0.00 -0.43 0.00 0.00 46.19 44.41 3i1p s LEU 33 CO 0.28 -0.10 0.99 -0.75 -0.29 0.00 0.00 176.35 176.47 3i1p s LYS 34 N 1.39 4.34 0.00 1.98 2.47 0.13 0.00 119.74 130.05 3i1p s LYS 34 Ca 0.01 1.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.77 3i1p s LYS 34 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.67 3i1p s LYS 34 CO -0.10 0.04 0.51 0.00 0.16 0.00 0.00 175.35 175.97 3i1p n ALA 35 N 0.04 -0.02 -2.90 3.13 0.00 -0.29 -2.52 120.51 117.94 3i1p n ALA 35 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 3i1p n ALA 35 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i1p n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1p n VAL 36 N -0.57 -9.57 0.00 0.00 0.31 -1.26 -3.82 118.33 103.43 3i1p n VAL 36 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3i1p n VAL 36 Cb 0.00 -6.71 0.00 0.00 -0.91 0.00 0.00 33.84 26.22 3i1p n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1p n GLY 37 N -1.49 3.91 3.53 2.92 0.00 -1.26 -4.38 105.19 108.42 3i1p n GLY 37 Ca 0.02 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 3i1p n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p s ARG 38 N -2.81 1.90 0.00 1.61 0.52 -1.26 -1.52 118.95 117.38 3i1p s ARG 38 Ca 0.00 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 3i1p s ARG 38 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3i1p s ARG 38 CO 0.00 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3i1p n GLY 39 N -0.49 0.41 3.32 -3.53 0.00 -1.04 -4.90 105.19 98.96 3i1p n GLY 39 Ca -0.07 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 3i1p n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1p s ARG 40 N -1.48 2.97 -0.30 1.61 1.70 -1.26 -1.91 118.95 120.27 3i1p s ARG 40 Ca 0.00 -0.79 -0.11 0.00 -0.47 0.00 0.00 55.73 54.36 3i1p s ARG 40 Cb 0.00 -2.39 -0.03 0.00 -0.57 0.00 0.00 34.95 31.95 3i1p s ARG 40 CO 0.00 0.31 0.19 -0.51 -1.08 0.00 0.00 175.30 174.21 3i1p s LEU 41 N 0.06 4.14 0.57 -1.89 1.02 -0.70 -4.92 118.68 116.97 3i1p s LEU 41 Ca -0.08 -0.22 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 3i1p s LEU 41 Cb -0.15 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 3i1p s LEU 41 CO 0.05 -0.12 1.20 -0.89 0.02 0.00 0.00 176.35 176.61 3i1p s THR 42 N 1.72 2.73 0.36 5.49 2.01 -1.26 -1.69 115.64 125.00 3i1p s THR 42 Ca 0.06 0.47 0.12 0.00 0.31 0.00 0.00 61.69 62.65 3i1p s THR 42 Cb -0.16 -3.20 0.34 0.00 0.01 0.00 0.00 72.50 69.49 3i1p s THR 42 CO 0.10 -0.08 1.83 0.00 -0.69 0.00 0.00 174.62 175.77 3i1p h ALA 43 N 1.09 1.94 0.02 7.40 0.00 -1.89 -1.93 119.26 125.90 3i1p h ALA 43 Ca -0.50 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3i1p h ALA 43 Cb 1.29 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3i1p h ALA 43 CO 0.56 -0.25 -0.39 0.00 0.00 0.00 0.00 179.25 179.17 3i1p h ARG 44 N 0.60 0.23 -0.35 0.00 3.08 -1.89 -2.83 114.38 113.21 3i1p h ARG 44 Ca 0.50 -0.28 0.08 0.00 0.07 0.00 0.00 59.98 60.35 3i1p h ARG 44 Cb 0.98 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 3i1p h ARG 44 CO -0.25 1.02 -0.27 1.96 -1.07 0.00 0.00 179.97 181.36 3i1p h GLN 45 N -0.43 -0.21 -0.28 0.04 4.20 -1.72 0.57 115.11 117.29 3i1p h GLN 45 Ca -0.05 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3i1p h GLN 45 Cb 1.17 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 3i1p h GLN 45 CO 0.08 -0.14 -0.26 -0.84 -0.67 0.00 0.00 178.83 177.00 3i1p h ILE 46 N -0.22 1.27 -0.11 2.54 3.07 -1.49 0.30 117.51 122.86 3i1p h ILE 46 Ca 0.17 -1.31 -0.08 0.00 1.55 0.00 0.00 64.86 65.19 3i1p h ILE 46 Cb 0.49 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3i1p h ILE 46 CO -0.48 0.42 -0.25 -0.08 -1.05 0.00 0.00 178.15 176.71 3i1p h GLU 47 N 0.47 0.37 -0.53 0.16 4.22 -1.11 -1.59 114.58 116.58 3i1p h GLU 47 Ca 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.24 3i1p h GLU 47 Cb 0.70 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3i1p h GLU 47 CO 0.05 0.85 0.28 0.00 -2.18 0.00 0.00 179.01 178.02 3i1p h ALA 48 N 0.52 0.68 0.00 2.92 0.00 0.26 0.19 119.26 123.83 3i1p h ALA 48 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i1p h ALA 48 Cb 0.85 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i1p h ALA 48 CO 0.06 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3i1p h ALA 49 N 1.12 1.00 0.07 0.00 0.00 -0.40 -1.11 119.26 119.93 3i1p h ALA 49 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 3i1p h ALA 49 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i1p h ALA 49 CO -0.03 0.00 -1.04 -0.09 0.00 0.00 0.00 179.25 178.10 3i1p h ARG 50 N 0.00 0.14 -0.29 0.00 2.43 -0.39 -3.29 114.38 112.99 3i1p h ARG 50 Ca 0.00 -0.25 0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3i1p h ARG 50 Cb 0.27 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3i1p h ARG 50 CO 0.00 1.12 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.44 3i1p h ARG 51 N -0.61 0.03 0.00 0.20 2.43 0.08 -0.00 114.38 116.51 3i1p h ARG 51 Ca -0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3i1p h ARG 51 Cb 1.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3i1p h ARG 51 CO -0.01 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.47 3i1p h ALA 52 N 1.27 1.00 0.01 2.80 0.00 -1.43 -2.70 119.26 120.21 3i1p h ALA 52 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3i1p h ALA 52 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i1p h ALA 52 CO -0.27 0.00 -0.33 1.98 0.00 0.00 0.00 179.25 180.63 3i1p h MET 53 N 0.00 0.20 0.00 0.00 1.85 -1.12 -3.30 114.93 112.56 3i1p h MET 53 Ca 0.00 -0.23 -0.07 0.00 -0.61 0.00 0.00 59.70 58.79 3i1p h MET 53 Cb 0.48 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.57 3i1p h MET 53 CO 0.00 0.98 -0.34 1.15 -0.40 0.00 0.00 176.91 178.30 3i1p h THR 54 N -0.48 1.18 -0.40 -0.77 2.02 -1.05 -3.16 112.91 110.26 3i1p h THR 54 Ca -0.04 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.01 3i1p h THR 54 Cb 1.11 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.12 3i1p h THR 54 CO 0.06 0.33 0.13 -0.09 0.37 0.00 0.00 175.52 176.32 3i1p h ARG 55 N 0.00 0.27 0.63 6.66 9.65 -1.56 0.24 114.38 130.27 3i1p h ARG 55 Ca -0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3i1p h ARG 55 Cb 0.62 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.14 3i1p h ARG 55 CO 0.04 0.18 -0.31 0.00 2.80 0.00 0.00 179.97 182.68 3i1p h ALA 56 N 1.27 -1.22 -0.76 2.80 0.00 -1.65 -2.64 119.26 117.05 3i1p h ALA 56 Ca 0.19 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3i1p h ALA 56 Cb 0.18 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3i1p h ALA 56 CO -0.20 -1.16 0.52 -0.39 0.00 0.00 0.00 179.25 178.01 3i1p h VAL 57 N -0.86 0.75 0.00 0.00 -1.51 -1.65 -3.48 116.25 109.51 3i1p h VAL 57 Ca -0.09 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3i1p h VAL 57 Cb 0.66 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3i1p h VAL 57 CO 0.14 0.06 0.00 0.29 -1.23 0.00 0.00 177.57 176.83 3i1p n LYS 58 N -4.46 0.00 -1.37 5.19 5.02 0.07 -3.85 118.16 118.77 3i1p n LYS 58 Ca 0.15 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.05 3i1p n LYS 58 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 3i1p n LYS 58 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i1p n ARG 59 N 7.89 2.66 -3.84 1.97 0.63 -1.26 -4.83 116.66 119.87 3i1p n ARG 59 Ca 0.00 -2.18 -0.12 0.00 -0.92 0.00 0.00 57.85 54.62 3i1p n ARG 59 Cb 0.00 -2.97 -0.14 0.00 0.45 0.00 0.00 32.46 29.80 3i1p n ARG 59 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3i1p s GLN 60 N 3.36 0.03 1.43 -0.14 -0.21 -1.25 -5.15 119.66 117.74 3i1p s GLN 60 Ca 0.54 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.99 3i1p s GLN 60 Cb 0.15 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.14 3i1p s GLN 60 CO -0.03 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 3i1p n GLY 61 N 3.23 -1.60 3.64 3.09 0.00 -1.26 -4.85 105.19 107.45 3i1p n GLY 61 Ca -0.14 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 3i1p n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1p s LYS 62 N 0.00 2.31 -0.06 1.61 2.47 -1.26 -4.74 119.74 120.07 3i1p s LYS 62 Ca 0.00 -1.16 -0.03 0.00 -1.56 0.00 0.00 55.97 53.23 3i1p s LYS 62 Cb 0.00 -2.30 0.04 0.00 -1.46 0.00 0.00 37.83 34.11 3i1p s LYS 62 CO 0.00 0.45 0.12 0.42 0.16 0.00 0.00 175.35 176.50 3i1p s ILE 63 N -1.74 -0.15 0.30 5.43 1.09 -1.26 -3.66 121.20 121.21 3i1p s ILE 63 Ca 0.27 0.31 0.07 0.00 -1.10 0.00 0.00 60.65 60.20 3i1p s ILE 63 Cb -0.09 -0.22 -0.06 0.00 -1.06 0.00 0.00 42.46 41.03 3i1p s ILE 63 CO 0.18 0.13 -0.05 0.26 -0.10 0.00 0.00 174.94 175.36 3i1p s TRP 64 N 1.86 2.04 -0.12 3.97 0.51 -1.22 -4.96 118.94 121.03 3i1p s TRP 64 Ca -0.01 -0.69 -0.04 0.00 -2.12 0.00 0.00 56.10 53.25 3i1p s TRP 64 Cb -0.12 -1.19 0.06 0.00 -0.81 0.00 0.00 33.47 31.40 3i1p s TRP 64 CO -0.05 0.31 0.16 0.42 -0.51 0.00 0.00 176.95 177.28 3i1p s ILE 65 N -2.96 -0.24 -0.03 2.03 1.01 -1.26 -2.53 121.20 117.21 3i1p s ILE 65 Ca 0.31 0.19 0.12 0.00 0.00 0.00 0.00 60.65 61.27 3i1p s ILE 65 Cb 0.04 -0.40 -0.22 0.00 0.01 0.00 0.00 42.46 41.89 3i1p s ILE 65 CO 0.13 0.02 0.76 0.03 0.00 0.00 0.00 174.94 175.88 3i1p h ARG 66 N 8.37 0.00 -5.91 2.79 3.08 -1.63 -3.45 114.38 117.63 3i1p h ARG 66 Ca -0.14 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.33 3i1p h ARG 66 Cb 1.13 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 3i1p h ARG 66 CO 0.19 0.55 0.34 0.14 -1.07 0.00 0.00 179.97 180.12 3i1p s VAL 67 N -2.63 4.91 -0.10 2.04 -7.23 -1.26 -5.04 120.40 111.08 3i1p s VAL 67 Ca -0.04 1.56 0.02 0.00 -1.81 0.00 0.00 61.98 61.72 3i1p s VAL 67 Cb 0.08 -4.11 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 3i1p s VAL 67 CO 0.82 0.05 -0.17 0.12 -0.31 0.00 0.00 175.10 175.61 3i1p s PHE 68 N 2.07 2.69 0.00 2.82 5.36 -1.26 -5.07 117.98 124.60 3i1p s PHE 68 Ca 0.37 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 3i1p s PHE 68 Cb -0.16 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3i1p s PHE 68 CO 0.12 -0.17 0.25 -2.30 -1.46 0.00 0.00 175.22 171.67 3i1p n PRO 69 N 3.19 0.00 0.00 10.12 -0.02 -1.26 -4.54 135.00 142.49 3i1p n PRO 69 Ca -0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3i1p n PRO 69 Cb 0.53 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 3i1p n PRO 69 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i1p n ASP 70 N -0.94 0.00 -4.73 2.55 2.03 -1.26 -2.25 116.55 111.94 3i1p n ASP 70 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3i1p n ASP 70 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3i1p n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3i1p s LYS 71 N 0.00 4.37 0.00 -0.67 2.20 -1.10 -4.84 119.74 119.70 3i1p s LYS 71 Ca 0.00 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3i1p s LYS 71 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3i1p s LYS 71 CO 0.00 -0.31 0.00 -2.30 -0.36 0.00 0.00 175.35 172.38 3i1p n PRO 72 N 3.03 0.00 0.00 4.03 -0.02 -1.26 -0.43 135.00 140.34 3i1p n PRO 72 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3i1p n PRO 72 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 3i1p n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i1p n ILE 73 N 0.00 0.00 -4.40 4.25 2.08 -1.26 -3.61 119.36 116.42 3i1p n ILE 73 Ca 0.00 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.11 3i1p n ILE 73 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 38.75 3i1p n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i1p s THR 74 N 0.00 1.00 -0.05 1.39 -4.23 -1.26 -3.17 115.64 109.32 3i1p s THR 74 Ca 0.00 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3i1p s THR 74 Cb 0.00 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.97 3i1p s THR 74 CO 0.00 0.09 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.49 3i1p s GLU 75 N -0.81 1.07 0.07 3.99 2.02 -1.22 -4.99 118.70 118.83 3i1p s GLU 75 Ca 0.02 -0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 3i1p s GLU 75 Cb -0.07 -0.98 -0.06 0.00 0.10 0.00 0.00 34.13 33.12 3i1p s GLU 75 CO 0.01 -0.03 1.21 0.21 0.02 0.00 0.00 175.26 176.67 3i1p s LYS 76 N 0.77 4.43 0.00 1.61 2.20 -1.26 -4.51 119.74 122.98 3i1p s LYS 76 Ca -0.12 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 3i1p s LYS 76 Cb -0.14 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3i1p s LYS 76 CO 0.01 -0.26 0.00 -2.30 -0.36 0.00 0.00 175.35 172.44 3i1p n PRO 77 N 3.87 2.23 0.00 4.03 -0.02 -1.26 -5.01 135.00 138.84 3i1p n PRO 77 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3i1p n PRO 77 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 3i1p n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i1p n LEU 78 N 0.00 0.00 -1.75 2.45 -0.00 -1.26 -4.75 117.00 111.70 3i1p n LEU 78 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 3i1p n LEU 78 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3i1p n LEU 78 CO 0.00 0.00 1.11 0.00 -0.00 0.00 0.00 177.39 178.50 3i1p n ALA 79 N -3.00 4.46 -2.54 1.96 0.00 -1.26 -4.83 120.51 115.30 3i1p n ALA 79 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.52 3i1p n ALA 79 Cb 0.00 -1.56 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 3i1p n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p s VAL 80 N 0.61 3.36 0.94 0.00 0.11 -1.26 -5.12 120.40 119.04 3i1p s VAL 80 Ca 0.22 -0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 58.35 3i1p s VAL 80 Cb 0.11 -2.41 0.15 0.00 -1.53 0.00 0.00 36.38 32.70 3i1p s VAL 80 CO 0.00 0.45 1.09 -0.13 -3.33 0.00 0.00 175.10 173.18 3i1p s ARG 81 N -1.19 0.92 0.64 1.54 0.52 -1.26 -5.01 118.95 115.10 3i1p s ARG 81 Ca 0.15 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.08 3i1p s ARG 81 Cb -0.11 -1.77 0.04 0.00 0.52 0.00 0.00 34.95 33.63 3i1p s ARG 81 CO 0.05 -2.46 0.93 -1.64 0.02 0.00 0.00 175.30 172.19 3i1p s MET 82 N -4.90 2.50 -0.82 3.54 -1.94 -1.26 -4.57 119.30 111.85 3i1p s MET 82 Ca 0.64 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 54.34 3i1p s MET 82 Cb -0.19 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.39 3i1p s MET 82 CO 0.58 -0.96 0.60 0.41 -0.01 0.00 0.00 175.02 175.65 3i1p n GLY 83 N -2.69 -1.31 0.43 -0.03 0.00 -1.26 -4.88 105.19 95.45 3i1p n GLY 83 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3i1p n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 84 N -2.60 0.00 0.00 1.61 4.76 -1.26 -5.10 118.16 115.57 3i1p n LYS 84 Ca -0.31 -0.94 0.00 0.00 -2.87 0.00 0.00 58.31 54.19 3i1p n LYS 84 Cb 0.69 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 3i1p n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1p n GLY 85 N -0.00 3.80 3.55 0.72 0.00 -1.26 -5.01 105.19 106.99 3i1p n GLY 85 Ca 0.00 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 3i1p n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1p s LYS 86 N -4.59 2.81 0.31 1.61 2.20 -1.26 -4.95 119.74 115.88 3i1p s LYS 86 Ca 0.00 0.43 -0.25 0.00 -0.36 0.00 0.00 55.97 55.79 3i1p s LYS 86 Cb 0.00 -4.32 -0.15 0.00 -1.51 0.00 0.00 37.83 31.85 3i1p s LYS 86 CO 0.00 -2.53 0.48 0.41 -0.36 0.00 0.00 175.35 173.35 3i1p n GLY 87 N 5.59 -1.75 3.74 5.54 0.00 -1.26 -4.89 105.19 112.17 3i1p n GLY 87 Ca 0.16 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 3i1p n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s ASN 88 N -0.93 4.01 0.72 1.61 2.20 -1.26 -4.36 114.94 116.93 3i1p s ASN 88 Ca 0.62 1.80 -0.14 0.00 -0.94 0.00 0.00 52.86 54.19 3i1p s ASN 88 Cb -0.76 -2.45 0.04 0.00 -2.00 0.00 0.00 41.25 36.08 3i1p s ASN 88 CO 0.59 -2.35 1.15 0.68 -2.94 0.00 0.00 177.10 174.23 3i1p s VAL 89 N -2.87 2.72 0.00 3.54 -7.23 -1.26 -3.44 120.40 111.86 3i1p s VAL 89 Ca 0.62 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 3i1p s VAL 89 Cb -0.18 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3i1p s VAL 89 CO 0.57 -0.22 0.00 -0.62 -0.31 0.00 0.00 175.10 174.52 3i1p n GLU 90 N -2.82 5.51 -3.61 4.82 1.02 -1.19 -4.91 120.64 119.47 3i1p n GLU 90 Ca 0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 3i1p n GLU 90 Cb 0.51 -0.50 -0.06 0.00 -0.02 0.00 0.00 31.44 31.37 3i1p n GLU 90 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3i1p s TYR 91 N -0.08 -0.39 0.65 -0.32 1.13 -1.26 -5.14 117.35 111.94 3i1p s TYR 91 Ca 0.00 0.82 -0.02 0.00 -1.41 0.00 0.00 57.07 56.46 3i1p s TYR 91 Cb 0.00 0.42 0.07 0.00 -1.10 0.00 0.00 41.96 41.35 3i1p s TYR 91 CO 0.00 -0.28 0.91 -1.58 -2.51 0.00 0.00 175.55 172.10 3i1p s TRP 92 N -0.50 2.49 -0.23 -3.49 0.52 -1.24 -4.22 118.94 112.26 3i1p s TRP 92 Ca 0.01 0.04 -0.27 0.00 0.02 0.00 0.00 56.10 55.90 3i1p s TRP 92 Cb -0.03 -2.98 0.12 0.00 -1.15 0.00 0.00 33.47 29.43 3i1p s TRP 92 CO -0.02 -1.30 0.99 0.54 0.02 0.00 0.00 176.95 177.18 3i1p s VAL 93 N -3.03 0.00 -0.29 4.03 0.11 0.43 -3.22 120.40 118.43 3i1p s VAL 93 Ca 0.61 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.58 3i1p s VAL 93 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 3i1p s VAL 93 CO 0.42 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 172.30 3i1p s ALA 94 N -0.26 3.18 -0.72 1.54 0.00 -0.68 -2.71 121.76 122.10 3i1p s ALA 94 Ca 0.01 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.35 3i1p s ALA 94 Cb -0.03 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 3i1p s ALA 94 CO -0.03 -0.82 2.00 -0.51 0.00 0.00 0.00 175.76 176.40 3i1p s LEU 95 N 1.57 3.22 0.02 0.00 1.02 -1.26 -1.72 118.68 121.53 3i1p s LEU 95 Ca 0.04 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 3i1p s LEU 95 Cb -0.17 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.46 3i1p s LEU 95 CO 0.04 -2.71 0.22 0.27 0.02 0.00 0.00 176.35 174.20 3i1p s ILE 96 N 10.32 5.38 0.19 -0.59 -4.36 -0.80 -5.01 121.20 126.34 3i1p s ILE 96 Ca 0.74 -0.11 0.06 0.00 -0.26 0.00 0.00 60.65 61.08 3i1p s ILE 96 Cb -0.11 -3.57 -0.05 0.00 1.25 0.00 0.00 42.46 39.99 3i1p s ILE 96 CO 0.12 0.29 -0.10 0.00 0.24 0.00 0.00 174.94 175.48 3i1p s GLN 97 N -2.04 1.25 -0.27 0.37 0.00 -1.26 -2.50 119.66 115.22 3i1p s GLN 97 Ca 0.29 -1.57 -0.41 0.00 -0.00 0.00 0.00 55.36 53.67 3i1p s GLN 97 Cb -0.13 -0.88 -0.17 0.00 0.00 0.00 0.00 33.01 31.83 3i1p s GLN 97 CO 0.20 0.10 1.64 -2.30 0.00 0.00 0.00 175.29 174.92 3i1p n PRO 98 N -0.34 0.87 0.00 9.60 -0.02 -0.58 -1.62 135.00 142.92 3i1p n PRO 98 Ca -0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3i1p n PRO 98 Cb 0.61 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3i1p n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1p n GLY 99 N 3.83 3.41 3.50 -1.23 0.00 -1.26 -2.45 105.19 110.98 3i1p n GLY 99 Ca 0.26 -0.97 -0.59 0.00 0.00 0.00 0.00 46.02 44.72 3i1p n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 100 N 0.00 0.48 -2.30 1.61 4.76 -0.64 -3.86 118.16 118.21 3i1p n LYS 100 Ca 0.00 0.15 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 3i1p n LYS 100 Cb 0.00 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.33 3i1p n LYS 100 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1p s VAL 101 N 5.10 3.88 -0.11 -0.18 0.11 0.25 -1.14 120.40 128.32 3i1p s VAL 101 Ca 1.10 1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 61.37 3i1p s VAL 101 Cb -1.27 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 29.77 3i1p s VAL 101 CO 0.66 -0.00 -0.06 -0.07 -3.33 0.00 0.00 175.10 172.30 3i1p h LEU 102 N 8.30 0.00 0.00 2.54 -0.00 -0.74 -3.39 115.31 122.02 3i1p h LEU 102 Ca -0.37 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.10 3i1p h LEU 102 Cb 1.17 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 3i1p h LEU 102 CO 0.90 0.57 -0.30 -1.22 -0.00 0.00 0.00 178.44 178.38 3i1p n TYR 103 N -4.69 0.68 -3.57 1.13 4.02 -1.26 -2.23 117.16 111.25 3i1p n TYR 103 Ca -0.02 -1.60 -0.14 0.00 -0.01 0.00 0.00 57.90 56.14 3i1p n TYR 103 Cb 0.08 -0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 3i1p n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3i1p s GLU 104 N -3.15 1.05 0.32 -0.72 2.02 -1.05 -2.72 118.70 114.45 3i1p s GLU 104 Ca 0.01 -0.26 0.05 0.00 0.02 0.00 0.00 54.97 54.79 3i1p s GLU 104 Cb 0.00 0.48 -0.06 0.00 0.10 0.00 0.00 34.13 34.65 3i1p s GLU 104 CO 0.01 -0.38 0.02 1.41 0.02 0.00 0.00 175.26 176.33 3i1p s MET 105 N -2.56 1.64 0.00 1.61 1.75 0.48 -3.42 119.30 118.80 3i1p s MET 105 Ca -0.05 -1.89 0.00 0.00 -1.25 0.00 0.00 55.69 52.51 3i1p s MET 105 Cb -0.01 -1.02 0.00 0.00 2.84 0.00 0.00 34.83 36.64 3i1p s MET 105 CO -0.03 -0.10 0.00 -3.47 -0.65 0.00 0.00 175.02 170.77 3i1p n ASP 106 N -0.67 0.00 -1.53 1.11 2.03 -1.24 -3.16 116.55 113.09 3i1p n ASP 106 Ca -0.04 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.20 3i1p n ASP 106 Cb 0.66 0.13 0.03 0.00 -0.72 0.00 0.00 41.12 41.21 3i1p n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1p n GLY 107 N -1.37 2.99 0.00 0.27 0.00 -1.26 -4.76 105.19 101.06 3i1p n GLY 107 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3i1p n GLY 107 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1p n VAL 108 N 0.62 0.00 -0.63 1.61 3.14 -1.26 -4.11 118.33 117.69 3i1p n VAL 108 Ca 0.14 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.23 3i1p n VAL 108 Cb 0.63 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.67 3i1p n VAL 108 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3i1p s PRO 109 N -0.31 -1.66 -1.03 1.45 0.02 -1.26 -4.55 135.00 127.66 3i1p s PRO 109 Ca 0.00 0.37 -0.24 0.00 0.02 0.00 0.00 61.00 61.15 3i1p s PRO 109 Cb 0.00 -1.51 -0.10 0.00 0.02 0.00 0.00 34.50 32.91 3i1p s PRO 109 CO 0.00 -4.10 2.02 -1.83 -0.33 0.00 0.00 177.00 172.77 3i1p s GLU 110 N -4.90 2.21 0.00 5.54 -1.05 -1.26 -3.13 118.70 116.11 3i1p s GLU 110 Ca 0.69 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 3i1p s GLU 110 Cb -0.17 -5.09 0.00 0.00 -0.44 0.00 0.00 34.13 28.43 3i1p s GLU 110 CO 0.60 -4.06 0.00 -1.91 0.95 0.00 0.00 175.26 170.84 3i1p n GLU 111 N 8.53 0.00 0.00 -4.83 4.07 -1.26 -4.81 120.64 122.34 3i1p n GLU 111 Ca 0.43 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.62 3i1p n GLU 111 Cb 0.46 0.00 0.47 0.00 -0.06 0.00 0.00 31.44 32.31 3i1p n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i1p n LEU 112 N -2.00 0.00 -0.09 4.31 -0.00 -1.24 -1.57 117.00 116.41 3i1p n LEU 112 Ca 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 56.01 56.06 3i1p n LEU 112 Cb 0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 43.22 3i1p n LEU 112 CO 0.00 -0.07 -0.55 0.00 -0.00 0.00 0.00 177.39 176.77 3i1p n ALA 113 N -1.16 0.67 -0.10 1.96 0.00 -1.18 -3.63 120.51 117.07 3i1p n ALA 113 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 3i1p n ALA 113 Cb 0.10 -0.06 0.25 0.00 0.00 0.00 0.00 19.45 19.75 3i1p n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1p h ARG 114 N -1.00 0.76 0.00 0.00 2.43 -1.81 -2.47 114.38 112.29 3i1p h ARG 114 Ca -0.11 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3i1p h ARG 114 Cb 0.84 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3i1p h ARG 114 CO -0.06 0.65 -0.27 1.49 -1.51 0.00 0.00 179.97 180.27 3i1p h GLU 115 N 0.75 0.00 0.00 0.20 4.22 -1.50 -2.72 114.58 115.53 3i1p h GLU 115 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3i1p h GLU 115 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3i1p h GLU 115 CO -0.01 0.27 0.00 0.00 -2.18 0.00 0.00 179.01 177.08 3i1p h ALA 116 N 1.73 1.00 -0.37 2.92 0.00 -1.51 -2.21 119.26 120.82 3i1p h ALA 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1p h ALA 116 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3i1p h ALA 116 CO 0.03 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.47 3i1p n PHE 117 N -2.90 1.25 -0.06 0.00 3.01 -1.03 -3.75 117.46 113.99 3i1p n PHE 117 Ca 0.04 -0.44 -0.06 0.00 1.01 0.00 0.00 57.45 58.00 3i1p n PHE 117 Cb 0.51 -0.32 -0.08 0.00 -0.01 0.00 0.00 39.48 39.57 3i1p n PHE 117 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3i1p n LYS 118 N 0.45 1.94 -0.41 -1.08 0.00 -0.83 -3.37 118.16 114.85 3i1p n LYS 118 Ca 0.17 0.01 0.09 0.00 0.00 0.00 0.00 58.31 58.58 3i1p n LYS 118 Cb 0.80 -1.28 0.28 0.00 0.00 0.00 0.00 35.03 34.83 3i1p n LYS 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1p n LEU 119 N -2.48 3.61 0.00 3.14 0.00 -1.22 -4.17 117.00 115.89 3i1p n LEU 119 Ca -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 56.01 54.01 3i1p n LEU 119 Cb 0.84 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.80 3i1p n LEU 119 CO 0.22 0.73 -0.30 0.00 0.00 0.00 0.00 177.39 178.04 3i1p n ALA 120 N 1.05 1.92 -0.34 1.96 0.00 -1.25 -4.41 120.51 119.43 3i1p n ALA 120 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3i1p n ALA 120 Cb 0.64 0.27 0.32 0.00 0.00 0.00 0.00 19.45 20.68 3i1p n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 121 N 0.00 1.70 0.00 0.00 0.00 -1.72 -0.79 119.26 118.45 3i1p h ALA 121 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i1p h ALA 121 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i1p h ALA 121 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3i1p n ALA 122 N -2.35 2.04 0.60 0.00 0.00 -1.26 -1.26 120.51 118.28 3i1p n ALA 122 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.72 3i1p n ALA 122 Cb 0.54 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3i1p n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1p n LYS 123 N -0.46 2.24 -2.95 0.00 4.76 -0.30 -5.02 118.16 116.43 3i1p n LYS 123 Ca 0.00 -0.41 -0.23 0.00 -2.87 0.00 0.00 58.31 54.80 3i1p n LYS 123 Cb 0.01 -1.16 0.01 0.00 -1.84 0.00 0.00 35.03 32.05 3i1p n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i1p s LEU 124 N -2.19 3.64 -0.24 -0.35 1.43 -0.39 -4.81 118.68 115.78 3i1p s LEU 124 Ca 0.08 0.35 0.14 0.00 -1.03 0.00 0.00 54.13 53.68 3i1p s LEU 124 Cb 0.10 -3.23 0.70 0.00 0.03 0.00 0.00 46.19 43.79 3i1p s LEU 124 CO 0.42 -0.69 1.64 -0.81 0.23 0.00 0.00 176.35 177.14 3i1p n PRO 125 N -2.10 3.90 -3.66 1.29 -0.04 -1.26 -4.91 135.00 128.21 3i1p n PRO 125 Ca 0.01 -3.05 -0.07 0.00 -0.04 0.00 0.00 63.50 60.35 3i1p n PRO 125 Cb 0.57 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.86 3i1p n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i1p s ILE 126 N -2.86 -0.26 0.03 0.52 -5.25 -1.26 -5.00 121.20 107.12 3i1p s ILE 126 Ca 0.50 0.04 -0.38 0.00 -0.99 0.00 0.00 60.65 59.82 3i1p s ILE 126 Cb 0.40 -0.88 -0.20 0.00 2.95 0.00 0.00 42.46 44.73 3i1p s ILE 126 CO 0.12 0.02 0.99 2.29 -1.79 0.00 0.00 174.94 176.57 3i1p n LYS 127 N 4.63 0.02 -4.18 0.37 2.85 -1.26 -4.96 118.16 115.62 3i1p n LYS 127 Ca -0.18 0.01 -0.17 0.00 -1.05 0.00 0.00 58.31 56.91 3i1p n LYS 127 Cb 0.55 -1.44 -0.12 0.00 -0.65 0.00 0.00 35.03 33.37 3i1p n LYS 127 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3i1p s THR 128 N -0.14 0.93 0.36 0.58 -4.23 -1.25 -4.31 115.64 107.58 3i1p s THR 128 Ca 0.87 -1.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 3i1p s THR 128 Cb -1.22 -0.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 3i1p s THR 128 CO 0.57 -0.20 0.02 0.28 -0.54 0.00 0.00 174.62 174.75 3i1p s THR 129 N -1.16 2.49 0.04 3.99 -1.32 -1.05 -4.94 115.64 113.70 3i1p s THR 129 Ca -0.03 -1.96 -0.19 0.00 -1.21 0.00 0.00 61.69 58.30 3i1p s THR 129 Cb -0.09 -2.83 -0.06 0.00 -1.51 0.00 0.00 72.50 68.01 3i1p s THR 129 CO 0.01 -0.16 0.56 0.12 -2.21 0.00 0.00 174.62 172.95 3i1p s PHE 130 N -2.55 3.75 0.02 9.09 5.36 -1.26 0.22 117.98 132.61 3i1p s PHE 130 Ca 0.35 1.22 0.08 0.00 -0.96 0.00 0.00 56.93 57.62 3i1p s PHE 130 Cb 0.02 -2.52 -0.02 0.00 -0.34 0.00 0.00 43.02 40.15 3i1p s PHE 130 CO 0.19 0.51 -0.24 0.08 -1.46 0.00 0.00 175.22 174.30 3i1p s VAL 131 N -0.76 1.89 0.00 3.12 1.01 -0.78 -4.82 120.40 120.05 3i1p s VAL 131 Ca 0.29 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3i1p s VAL 131 Cb -0.19 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3i1p s VAL 131 CO 0.18 0.40 0.00 0.35 0.00 0.00 0.00 175.10 176.02 3i1p n THR 132 N 2.12 0.00 0.00 3.92 -2.24 -1.26 -2.63 114.28 114.19 3i1p n THR 132 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3i1p n THR 132 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3i1p n THR 132 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1p n LYS 133 N 0.00 0.00 -1.19 -0.78 4.81 -1.22 -3.74 118.16 116.04 3i1p n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1p n LYS 133 Cb 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 34.90 3i1p n LYS 133 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i1p n THR 134 N -2.20 -6.10 0.00 3.15 -1.04 -1.26 -4.46 114.28 102.36 3i1p n THR 134 Ca 0.00 1.67 0.00 0.00 -2.04 0.00 0.00 64.05 63.68 3i1p n THR 134 Cb 0.00 -3.18 0.00 0.00 -1.82 0.00 0.00 70.33 65.33 3i1p n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i1p n VAL 135 N 0.57 0.00 1.31 12.58 0.31 -1.26 -5.03 118.33 126.81 3i1p n VAL 135 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3i1p n VAL 135 Cb 0.00 -0.64 0.36 0.00 -0.91 0.00 0.00 33.84 32.65 3i1p n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31