#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n GLU 2 N 0.00 0.00 -2.60 0.03 -0.58 -1.26 -4.71 120.64 111.52 3i1p n GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3i1p n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3i1p n GLU 2 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i1p n THR 3 N -0.94-12.22 -4.64 2.62 -1.04 -1.26 -4.05 114.28 92.75 3i1p n THR 3 Ca 0.00 2.31 -0.26 0.00 -2.04 0.00 0.00 64.05 64.06 3i1p n THR 3 Cb 0.00 -6.63 -0.14 0.00 -1.82 0.00 0.00 70.33 61.74 3i1p n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3i1p s ILE 4 N -1.05 1.74 0.30 12.58 -5.25 -1.26 -3.71 121.20 124.55 3i1p s ILE 4 Ca -0.16 -1.26 0.03 0.00 -0.99 0.00 0.00 60.65 58.27 3i1p s ILE 4 Cb 0.01 -1.52 -0.06 0.00 2.95 0.00 0.00 42.46 43.85 3i1p s ILE 4 CO 0.76 0.20 0.08 0.00 -1.79 0.00 0.00 174.94 174.20 3i1p s ALA 5 N -0.83 2.10 0.19 2.27 0.00 -0.92 -4.99 121.76 119.58 3i1p s ALA 5 Ca 0.08 -1.93 -0.23 0.00 0.00 0.00 0.00 51.96 49.88 3i1p s ALA 5 Cb -0.09 0.85 0.05 0.00 0.00 0.00 0.00 23.12 23.93 3i1p s ALA 5 CO 0.02 -0.38 0.78 -1.59 0.00 0.00 0.00 175.76 174.59 3i1p s LYS 6 N -3.94 1.42 -0.22 0.00 -2.85 -1.26 -1.54 119.74 111.35 3i1p s LYS 6 Ca 0.36 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 3i1p s LYS 6 Cb 0.08 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.43 3i1p s LYS 6 CO 0.15 -0.65 -0.05 -1.58 0.10 0.00 0.00 175.35 173.32 3i1p s HIS 7 N -3.63 2.20 0.07 1.78 5.65 0.25 -4.95 115.29 116.66 3i1p s HIS 7 Ca 0.09 -1.58 0.06 0.00 0.25 0.00 0.00 55.06 53.88 3i1p s HIS 7 Cb -0.03 -1.51 -0.04 0.00 -1.18 0.00 0.00 32.58 29.82 3i1p s HIS 7 CO 0.00 -0.74 -0.07 1.03 -0.65 0.00 0.00 174.74 174.31 3i1p s ARG 8 N 1.46 2.33 0.00 2.88 0.52 -1.26 -0.40 118.95 124.47 3i1p s ARG 8 Ca -0.04 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 3i1p s ARG 8 Cb -0.18 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.89 3i1p s ARG 8 CO -0.07 0.54 0.00 0.72 0.02 0.00 0.00 175.30 176.51 3i1p n HIS 9 N 0.92 0.00 -1.68 -0.53 8.25 -1.24 -4.98 115.22 115.96 3i1p n HIS 9 Ca -0.13 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.79 3i1p n HIS 9 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 3i1p n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1p n ALA 10 N 0.53 0.06 -2.71 -1.41 0.00 -0.59 -4.75 120.51 111.64 3i1p n ALA 10 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3i1p n ALA 10 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 3i1p n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1p s ARG 11 N 3.08 3.76 0.00 0.00 1.81 -1.26 -1.77 118.95 124.57 3i1p s ARG 11 Ca 0.94 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 3i1p s ARG 11 Cb -0.93 -5.25 0.00 0.00 -0.45 0.00 0.00 34.95 28.32 3i1p s ARG 11 CO 0.58 -2.05 0.00 0.45 -0.68 0.00 0.00 175.30 173.60 3i1p n SER 12 N 7.73 0.00 -4.86 0.23 2.88 -1.26 -5.04 113.62 113.30 3i1p n SER 12 Ca 0.35 -0.74 -0.21 0.00 -1.33 0.00 0.00 58.87 56.94 3i1p n SER 12 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 3i1p n SER 12 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3i1p s SER 13 N -0.23 5.34 0.00 -3.46 1.04 -1.26 -3.14 113.70 111.99 3i1p s SER 13 Ca 0.00 -0.46 0.28 0.00 0.48 0.00 0.00 55.95 56.25 3i1p s SER 13 Cb 0.00 -1.02 1.14 0.00 0.10 0.00 0.00 66.02 66.24 3i1p s SER 13 CO 0.00 -0.33 1.85 0.00 0.98 0.00 0.00 173.24 175.73 3i1p n ALA 14 N -1.37 2.59 -0.01 5.32 0.00 -1.20 -3.01 120.51 122.83 3i1p n ALA 14 Ca -0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 3i1p n ALA 14 Cb 0.60 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 3i1p n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1p n GLN 15 N -1.43 0.73 0.09 0.00 7.27 -1.26 -3.06 117.38 119.71 3i1p n GLN 15 Ca 0.08 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.28 3i1p n GLN 15 Cb 0.32 -1.70 -0.08 0.00 2.41 0.00 0.00 30.24 31.19 3i1p n GLN 15 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i1p h LYS 16 N 0.05 -0.24 -0.19 3.69 1.57 -1.98 -1.15 116.57 118.32 3i1p h LYS 16 Ca -0.42 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3i1p h LYS 16 Cb 2.02 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 34.33 3i1p h LYS 16 CO 0.07 0.13 -0.19 0.28 -0.57 0.00 0.00 179.45 179.17 3i1p h VAL 17 N -0.68 0.50 -1.04 0.50 2.07 -1.75 -1.32 116.25 114.53 3i1p h VAL 17 Ca -0.03 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.78 3i1p h VAL 17 Cb 0.48 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3i1p h VAL 17 CO 0.04 0.00 0.71 -0.09 0.02 0.00 0.00 177.57 178.26 3i1p h ARG 18 N -0.21 0.18 -0.08 1.57 2.43 -1.45 0.33 114.38 117.15 3i1p h ARG 18 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3i1p h ARG 18 Cb 0.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3i1p h ARG 18 CO -0.32 0.12 -0.09 1.25 -1.51 0.00 0.00 179.97 179.43 3i1p h LEU 19 N 0.18 0.21 -0.29 3.80 5.85 -0.01 -1.30 115.31 123.75 3i1p h LEU 19 Ca 0.53 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i1p h LEU 19 Cb 1.76 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3i1p h LEU 19 CO -0.13 0.66 -0.13 0.55 -0.34 0.00 0.00 178.44 179.06 3i1p n VAL 20 N -4.68 0.00 0.10 1.05 3.14 -0.85 -3.72 118.33 113.36 3i1p n VAL 20 Ca -0.07 -0.08 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 3i1p n VAL 20 Cb 0.32 -0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.04 3i1p n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1p h ALA 21 N 3.65 -0.33 0.00 1.55 0.00 0.07 -3.11 119.26 121.09 3i1p h ALA 21 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i1p h ALA 21 Cb 0.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i1p h ALA 21 CO 0.00 -0.35 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 3i1p n ASP 22 N -4.99 0.00 0.12 0.00 9.92 -0.53 -1.69 116.55 119.38 3i1p n ASP 22 Ca -0.06 -0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 53.96 3i1p n ASP 22 Cb 0.22 -0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.44 3i1p n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i1p h LEU 23 N 0.00 0.68 -1.79 0.64 6.46 -1.62 -3.37 115.31 116.31 3i1p h LEU 23 Ca 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 3i1p h LEU 23 Cb 0.02 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 3i1p h LEU 23 CO 0.00 1.54 0.00 2.30 -0.62 0.00 0.00 178.44 181.66 3i1p n ILE 24 N -3.66 0.24 -1.84 4.05 -5.35 -0.68 -4.94 119.36 107.18 3i1p n ILE 24 Ca -0.13 -0.62 -0.41 0.00 -0.27 0.00 0.00 62.75 61.32 3i1p n ILE 24 Cb 1.05 1.06 -0.01 0.00 -1.74 0.00 0.00 39.64 40.00 3i1p n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3i1p s ARG 25 N -0.97 4.15 0.00 6.28 3.52 -1.14 -3.57 118.95 127.22 3i1p s ARG 25 Ca 0.16 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 3i1p s ARG 25 Cb 0.10 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3i1p s ARG 25 CO 0.15 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 3i1p n GLY 26 N 1.00 1.63 3.56 8.12 0.00 -0.57 -4.95 105.19 113.98 3i1p n GLY 26 Ca 0.03 -0.08 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 3i1p n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 27 N 0.00 1.44 0.00 1.61 4.76 -1.23 -3.62 118.16 121.11 3i1p n LYS 27 Ca 0.00 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3i1p n LYS 27 Cb 0.00 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 30.68 3i1p n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i1p n LYS 28 N 7.40 0.00 0.00 1.97 5.02 -1.26 -4.02 118.16 127.27 3i1p n LYS 28 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3i1p n LYS 28 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 3i1p n LYS 28 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i1p n VAL 29 N 0.00 0.00 -0.11 -0.18 0.31 -1.26 -0.57 118.33 116.52 3i1p n VAL 29 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3i1p n VAL 29 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3i1p n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i1p h SER 30 N 0.00 0.75 0.01 4.52 0.02 -1.90 -3.28 113.55 113.68 3i1p h SER 30 Ca 0.00 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3i1p h SER 30 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3i1p h SER 30 CO 0.00 1.01 -0.01 1.56 -1.14 0.00 0.00 176.83 178.25 3i1p h GLN 31 N 0.50 -0.02 -5.25 3.45 1.08 -1.90 -3.08 115.11 109.90 3i1p h GLN 31 Ca 0.07 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3i1p h GLN 31 Cb 0.73 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3i1p h GLN 31 CO 0.05 0.70 0.30 0.00 -0.95 0.00 0.00 178.83 178.93 3i1p s ALA 32 N -2.52 0.82 0.00 3.87 0.00 -1.24 -0.07 121.76 122.63 3i1p s ALA 32 Ca -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3i1p s ALA 32 Cb -0.02 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.43 3i1p s ALA 32 CO 0.53 -6.35 0.00 -0.11 0.00 0.00 0.00 175.76 169.83 3i1p n LEU 33 N 18.21 0.00 0.17 0.00 7.94 -1.25 -4.57 117.00 137.50 3i1p n LEU 33 Ca 0.43 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.45 3i1p n LEU 33 Cb 0.46 0.00 0.60 0.00 0.53 0.00 0.00 43.42 45.02 3i1p n LEU 33 CO 0.60 0.00 0.87 0.44 -1.11 0.00 0.00 177.39 178.19 3i1p h ASP 34 N 0.00 0.00 -0.18 1.96 3.45 -0.69 0.74 116.42 121.69 3i1p h ASP 34 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1p h ASP 34 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3i1p h ASP 34 CO 0.00 0.00 0.00 2.30 -1.57 0.00 0.00 179.24 179.97 3i1p n ILE 35 N -2.35 0.23 -0.08 0.35 -5.35 0.90 -4.10 119.36 108.97 3i1p n ILE 35 Ca -0.00 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 61.95 3i1p n ILE 35 Cb 0.12 0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 3i1p n ILE 35 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i1p n LEU 36 N 0.42 1.82 0.19 7.28 7.99 0.24 -4.44 117.00 130.49 3i1p n LEU 36 Ca 0.16 0.09 0.05 0.00 -0.01 0.00 0.00 56.01 56.30 3i1p n LEU 36 Cb 0.35 -0.48 0.27 0.00 -0.11 0.00 0.00 43.42 43.45 3i1p n LEU 36 CO 0.13 0.49 0.82 0.74 -1.51 0.00 0.00 177.39 178.05 3i1p h THR 37 N -0.35 0.00 -2.40 -5.08 2.02 -1.28 -2.60 112.91 103.23 3i1p h THR 37 Ca -0.37 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.22 3i1p h THR 37 Cb 1.41 0.22 -0.38 0.00 -1.74 0.00 0.00 68.15 67.65 3i1p h THR 37 CO -0.17 0.00 -0.96 -0.31 0.37 0.00 0.00 175.52 174.45 3i1p s TYR 38 N -3.31 1.19 0.00 3.16 1.51 -1.26 -5.02 117.35 113.61 3i1p s TYR 38 Ca -0.01 -2.35 0.00 0.00 -1.01 0.00 0.00 57.07 53.69 3i1p s TYR 38 Cb 0.03 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 3i1p s TYR 38 CO 0.09 -0.82 0.00 2.41 -1.11 0.00 0.00 175.55 176.12 3i1p n THR 39 N 2.84 0.00 0.00 -0.71 -1.04 -0.98 -4.87 114.28 109.51 3i1p n THR 39 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 3i1p n THR 39 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 3i1p n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3i1p n ASN 40 N 0.00 0.00 -4.68 8.00 0.23 -1.26 -5.15 115.26 112.39 3i1p n ASN 40 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.64 3i1p n ASN 40 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 3i1p n ASN 40 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3i1p n LYS 41 N 0.00 1.79 -0.21 -3.83 4.76 -1.26 -4.81 118.16 114.60 3i1p n LYS 41 Ca 0.00 0.64 0.28 0.00 -2.87 0.00 0.00 58.31 56.36 3i1p n LYS 41 Cb 0.00 -2.32 0.69 0.00 -1.84 0.00 0.00 35.03 31.55 3i1p n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3i1p h LYS 42 N 1.93 0.07 0.00 1.97 3.64 -2.00 0.94 116.57 123.13 3i1p h LYS 42 Ca -0.47 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3i1p h LYS 42 Cb 1.30 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3i1p h LYS 42 CO 0.59 0.05 -0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3i1p h ALA 43 N 1.55 1.35 0.01 5.00 0.00 -1.91 -1.50 119.26 123.74 3i1p h ALA 43 Ca 0.46 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.40 3i1p h ALA 43 Cb 1.69 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3i1p h ALA 43 CO -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.80 3i1p h ALA 44 N 2.00 -0.64 -0.69 0.00 0.00 0.62 -2.18 119.26 118.37 3i1p h ALA 44 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i1p h ALA 44 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i1p h ALA 44 CO 0.00 -0.94 0.00 1.33 0.00 0.00 0.00 179.25 179.64 3i1p n VAL 45 N -5.45 1.17 -0.05 0.00 0.24 -0.87 -2.73 118.33 110.64 3i1p n VAL 45 Ca -0.06 -1.00 -0.03 0.00 -2.04 0.00 0.00 64.34 61.21 3i1p n VAL 45 Cb 0.36 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 3i1p n VAL 45 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i1p h LEU 46 N 4.12 0.00 -0.52 1.34 7.12 -1.09 -3.37 115.31 122.91 3i1p h LEU 46 Ca 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.86 3i1p h LEU 46 Cb 1.08 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 3i1p h LEU 46 CO 0.06 0.53 -0.69 -0.37 -0.13 0.00 0.00 178.44 177.84 3i1p h VAL 47 N -0.73 1.42 -0.41 1.05 -1.51 -1.57 -3.20 116.25 111.31 3i1p h VAL 47 Ca 0.00 -2.43 -0.02 0.00 -1.23 0.00 0.00 66.70 63.02 3i1p h VAL 47 Cb 0.33 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 3i1p h VAL 47 CO 0.00 0.68 0.17 0.50 -1.23 0.00 0.00 177.57 177.69 3i1p h LYS 48 N 0.00 0.60 -0.70 5.19 3.64 -1.65 0.05 116.57 123.70 3i1p h LYS 48 Ca -0.01 -0.11 0.20 0.00 -1.27 0.00 0.00 60.65 59.47 3i1p h LYS 48 Cb 1.28 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3i1p h LYS 48 CO 0.09 0.56 0.50 -0.22 -2.27 0.00 0.00 179.45 178.11 3i1p h LYS 49 N 0.51 0.03 0.13 1.90 3.64 -1.71 0.29 116.57 121.36 3i1p h LYS 49 Ca 0.14 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3i1p h LYS 49 Cb 0.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3i1p h LYS 49 CO -0.01 0.02 -0.06 0.28 -2.27 0.00 0.00 179.45 177.40 3i1p h VAL 50 N 0.03 0.00 -0.40 2.00 2.07 -1.22 -3.10 116.25 115.63 3i1p h VAL 50 Ca 0.33 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3i1p h VAL 50 Cb 1.29 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 3i1p h VAL 50 CO -0.01 0.00 -0.24 0.25 0.02 0.00 0.00 177.57 177.59 3i1p h LEU 51 N -0.32 -0.79 -1.63 2.57 5.85 -0.05 0.70 115.31 121.64 3i1p h LEU 51 Ca -0.02 0.17 0.20 0.00 0.84 0.00 0.00 57.88 59.07 3i1p h LEU 51 Cb 0.13 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3i1p h LEU 51 CO 0.03 -0.26 0.58 -0.33 -0.34 0.00 0.00 178.44 178.12 3i1p h GLU 52 N -0.17 0.31 -0.10 1.25 5.08 -0.63 0.64 114.58 120.96 3i1p h GLU 52 Ca 0.19 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 3i1p h GLU 52 Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3i1p h GLU 52 CO -0.50 0.20 -0.78 1.03 -1.00 0.00 0.00 179.01 177.97 3i1p h SER 53 N 0.32 0.67 -0.62 1.42 0.87 0.27 -2.76 113.55 113.72 3i1p h SER 53 Ca 0.44 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3i1p h SER 53 Cb 1.20 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3i1p h SER 53 CO -0.13 1.22 0.20 0.00 -0.53 0.00 0.00 176.83 177.59 3i1p h ALA 54 N 0.76 1.13 -0.56 6.23 0.00 0.38 0.16 119.26 127.36 3i1p h ALA 54 Ca -0.05 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3i1p h ALA 54 Cb 1.38 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3i1p h ALA 54 CO 0.14 0.60 0.16 0.82 0.00 0.00 0.00 179.25 180.97 3i1p h ILE 55 N 0.96 0.73 -0.50 0.00 5.03 -0.01 -2.68 117.51 121.03 3i1p h ILE 55 Ca 0.21 -0.11 -0.09 0.00 -0.12 0.00 0.00 64.86 64.76 3i1p h ILE 55 Cb 0.27 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.43 3i1p h ILE 55 CO -0.01 0.06 -0.05 0.00 -0.68 0.00 0.00 178.15 177.47 3i1p h ALA 56 N 1.42 0.97 0.00 1.87 0.00 -0.79 -0.98 119.26 121.75 3i1p h ALA 56 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1p h ALA 56 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i1p h ALA 56 CO -0.33 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.62 3i1p n ASN 57 N -4.18 0.00 -0.07 0.00 5.03 0.40 -1.20 115.26 115.24 3i1p n ASN 57 Ca 0.02 -0.22 -0.08 0.00 0.87 0.00 0.00 54.58 55.17 3i1p n ASN 57 Cb 0.34 -0.13 -0.09 0.00 -1.02 0.00 0.00 39.78 38.88 3i1p n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1p n ALA 58 N -1.13 1.67 0.12 5.41 0.00 -0.70 -3.97 120.51 121.91 3i1p n ALA 58 Ca 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 3i1p n ALA 58 Cb 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 3i1p n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1p h GLU 59 N 0.00 -0.30 -0.01 0.00 4.39 -0.39 -2.92 114.58 115.35 3i1p h GLU 59 Ca -0.35 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 3i1p h GLU 59 Cb 1.70 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 3i1p h GLU 59 CO -0.01 0.01 -0.10 1.25 -1.16 0.00 0.00 179.01 179.00 3i1p h HIS 60 N -0.62 0.12 0.00 4.33 2.76 -1.42 -3.44 115.15 116.87 3i1p h HIS 60 Ca -0.03 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3i1p h HIS 60 Cb 0.45 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3i1p h HIS 60 CO 0.02 0.79 0.00 0.09 -1.30 0.00 0.00 177.93 177.53 3i1p n ASN 61 N -4.65 0.00 -4.69 3.26 4.13 -1.25 -4.94 115.26 107.11 3i1p n ASN 61 Ca -0.09 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.75 3i1p n ASN 61 Cb 0.40 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 3i1p n ASN 61 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3i1p s ASP 62 N -1.09 6.63 0.00 6.41 -4.77 -1.26 -4.86 116.67 117.73 3i1p s ASP 62 Ca 0.00 2.46 0.00 0.00 -3.30 0.00 0.00 52.55 51.71 3i1p s ASP 62 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 3i1p s ASP 62 CO 0.00 -0.86 0.00 0.61 0.70 0.00 0.00 175.17 175.62 3i1p n GLY 63 N 3.92 3.90 0.00 2.12 0.00 -1.10 -4.51 105.19 109.51 3i1p n GLY 63 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3i1p n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 64 N 0.00 0.00 -1.38 4.61 0.00 -1.26 -4.04 120.51 118.44 3i1p n ALA 64 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.92 3i1p n ALA 64 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3i1p n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1p n ASP 65 N 0.00 1.06 0.00 0.00 8.00 -1.26 -4.73 116.55 119.63 3i1p n ASP 65 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.92 3i1p n ASP 65 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3i1p n ASP 65 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3i1p n ILE 66 N 7.00 1.51 0.24 0.53 -0.00 -1.26 -2.77 119.36 124.62 3i1p n ILE 66 Ca 0.53 0.38 0.16 0.00 -0.00 0.00 0.00 62.75 63.82 3i1p n ILE 66 Cb 0.08 -1.38 0.74 0.00 -0.00 0.00 0.00 39.64 39.08 3i1p n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3i1p h ASP 67 N 0.00 0.00 -2.07 7.28 5.19 -2.02 -2.56 116.42 122.24 3i1p h ASP 67 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3i1p h ASP 67 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 3i1p h ASP 67 CO 0.00 0.00 -1.01 -0.90 -3.12 0.00 0.00 179.24 174.21 3i1p n ASP 68 N -3.13 1.67 -3.39 6.45 5.75 -1.11 -4.96 116.55 117.83 3i1p n ASP 68 Ca 0.02 -3.11 -0.26 0.00 -0.01 0.00 0.00 54.79 51.43 3i1p n ASP 68 Cb 0.52 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 3i1p n ASP 68 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i1p n LEU 69 N 0.50 2.17 -4.48 -2.12 4.32 -0.97 -4.40 117.00 112.03 3i1p n LEU 69 Ca 0.26 -5.09 -0.51 0.00 -0.02 0.00 0.00 56.01 50.65 3i1p n LEU 69 Cb 0.55 -0.14 -0.07 0.00 -1.62 0.00 0.00 43.42 42.14 3i1p n LEU 69 CO 0.25 2.02 1.76 0.29 -1.22 0.00 0.00 177.39 180.49 3i1p n LYS 70 N 1.29 1.19 -1.55 3.23 4.01 -1.24 -4.23 118.16 120.85 3i1p n LYS 70 Ca 0.26 0.34 -0.14 0.00 -0.51 0.00 0.00 58.31 58.26 3i1p n LYS 70 Cb 0.45 -2.49 -0.09 0.00 -0.51 0.00 0.00 35.03 32.39 3i1p n LYS 70 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 3i1p n VAL 71 N 6.96 0.00 0.00 -0.18 3.14 0.27 -3.76 118.33 124.76 3i1p n VAL 71 Ca 0.39 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3i1p n VAL 71 Cb 0.24 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 3i1p n VAL 71 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i1p n THR 72 N 8.49 0.00 -1.99 1.55 -2.24 -0.93 -1.51 114.28 117.65 3i1p n THR 72 Ca 0.47 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.85 3i1p n THR 72 Cb 0.41 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3i1p n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1p s LYS 73 N 0.00 3.88 -0.30 -0.78 -0.14 -0.64 -3.95 119.74 117.80 3i1p s LYS 73 Ca 0.00 2.21 -0.08 0.00 -1.36 0.00 0.00 55.97 56.75 3i1p s LYS 73 Cb 0.00 -2.71 0.15 0.00 -1.68 0.00 0.00 37.83 33.59 3i1p s LYS 73 CO 0.00 -0.59 0.68 -1.50 -0.76 0.00 0.00 175.35 173.18 3i1p s ILE 74 N -1.25 -0.93 -0.23 2.17 2.07 -1.26 0.43 121.20 122.19 3i1p s ILE 74 Ca 0.58 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.70 3i1p s ILE 74 Cb -0.39 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.27 3i1p s ILE 74 CO 0.50 0.00 0.56 0.72 -1.91 0.00 0.00 174.94 174.81 3i1p s PHE 75 N 2.85 -0.86 0.25 3.50 -0.71 0.06 -4.94 117.98 118.13 3i1p s PHE 75 Ca 0.03 1.74 -0.10 0.00 -1.04 0.00 0.00 56.93 57.56 3i1p s PHE 75 Cb -0.12 0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 42.08 3i1p s PHE 75 CO -0.19 -0.45 0.58 0.54 -1.34 0.00 0.00 175.22 174.36 3i1p s VAL 76 N 1.59 4.90 0.05 -2.49 0.11 -1.26 -1.90 120.40 121.39 3i1p s VAL 76 Ca -0.10 0.52 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 3i1p s VAL 76 Cb -0.07 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 3i1p s VAL 76 CO -0.17 -0.10 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.62 3i1p s ASP 77 N -2.38 0.88 0.17 3.54 1.11 -0.42 -4.94 116.67 114.62 3i1p s ASP 77 Ca 0.48 -0.62 -0.31 0.00 0.18 0.00 0.00 52.55 52.29 3i1p s ASP 77 Cb -0.11 0.05 -0.09 0.00 1.07 0.00 0.00 42.92 43.84 3i1p s ASP 77 CO 0.21 -0.25 1.39 -1.61 1.18 0.00 0.00 175.17 176.10 3i1p s GLU 78 N -1.92 4.32 0.00 8.23 2.02 -1.26 0.87 118.70 130.97 3i1p s GLU 78 Ca -0.07 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.06 3i1p s GLU 78 Cb -0.08 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3i1p s GLU 78 CO -0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 3i1p n GLY 79 N 2.99 2.89 3.57 -1.39 0.00 -1.26 -4.77 105.19 107.22 3i1p n GLY 79 Ca 0.09 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3i1p n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1p s PRO 80 N 2.98 3.23 0.08 1.61 0.04 -1.26 -4.65 135.00 137.02 3i1p s PRO 80 Ca 0.00 0.23 -0.31 0.00 0.04 0.00 0.00 61.00 60.96 3i1p s PRO 80 Cb 0.00 -4.15 -0.09 0.00 0.04 0.00 0.00 34.50 30.30 3i1p s PRO 80 CO 0.00 -2.05 1.69 -1.12 0.04 0.00 0.00 177.00 175.56 3i1p s SER 81 N 4.40 6.57 -0.17 6.66 0.01 -1.26 -4.25 113.70 125.65 3i1p s SER 81 Ca 0.47 2.54 -0.19 0.00 1.31 0.00 0.00 55.95 60.09 3i1p s SER 81 Cb -0.10 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3i1p s SER 81 CO 0.22 -0.91 0.52 -0.04 0.41 0.00 0.00 173.24 173.43 3i1p s MET 82 N 2.64 4.24 -0.13 12.44 -1.94 -0.05 -4.87 119.30 131.64 3i1p s MET 82 Ca 0.75 0.45 -0.29 0.00 -1.71 0.00 0.00 55.69 54.89 3i1p s MET 82 Cb -0.41 -3.52 -0.01 0.00 2.01 0.00 0.00 34.83 32.90 3i1p s MET 82 CO 0.33 -0.06 1.06 0.15 -0.01 0.00 0.00 175.02 176.50 3i1p s LYS 83 N 1.33 4.36 0.24 2.03 -0.14 -1.26 -1.20 119.74 125.10 3i1p s LYS 83 Ca 0.25 1.45 0.01 0.00 -1.36 0.00 0.00 55.97 56.32 3i1p s LYS 83 Cb -0.15 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.37 3i1p s LYS 83 CO 0.10 -0.43 0.13 0.50 -0.76 0.00 0.00 175.35 174.88 3i1p s ARG 84 N 2.41 1.34 -0.04 1.68 6.06 -1.23 -4.99 118.95 124.17 3i1p s ARG 84 Ca 0.49 -1.73 0.02 0.00 -2.50 0.00 0.00 55.73 52.02 3i1p s ARG 84 Cb -0.19 0.03 0.01 0.00 0.06 0.00 0.00 34.95 34.86 3i1p s ARG 84 CO 0.16 -0.37 -0.10 0.96 -2.50 0.00 0.00 175.30 173.45 3i1p s ILE 85 N -3.92 0.89 -0.22 4.11 -5.25 -1.26 -4.33 121.20 111.23 3i1p s ILE 85 Ca 0.38 -0.39 0.01 0.00 -0.99 0.00 0.00 60.65 59.66 3i1p s ILE 85 Cb 0.07 -0.81 0.05 0.00 2.95 0.00 0.00 42.46 44.72 3i1p s ILE 85 CO 0.14 0.28 -0.11 -0.32 -1.79 0.00 0.00 174.94 173.14 3i1p s MET 86 N 0.35 2.18 -0.39 0.37 1.75 -1.10 -4.96 119.30 117.51 3i1p s MET 86 Ca -0.06 -1.00 -0.29 0.00 -1.25 0.00 0.00 55.69 53.09 3i1p s MET 86 Cb -0.11 -2.59 0.01 0.00 2.84 0.00 0.00 34.83 34.98 3i1p s MET 86 CO 0.01 -0.45 1.33 -1.25 -0.65 0.00 0.00 175.02 174.01 3i1p s PRO 87 N 1.30 3.70 0.04 4.11 0.04 -1.26 -1.52 135.00 141.41 3i1p s PRO 87 Ca -0.03 0.97 0.01 0.00 0.04 0.00 0.00 61.00 61.99 3i1p s PRO 87 Cb -0.17 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.41 3i1p s PRO 87 CO -0.08 -1.40 0.05 -2.13 0.04 0.00 0.00 177.00 173.49 3i1p n ARG 88 N 7.80 0.97 -0.96 4.56 0.63 0.36 -4.98 116.66 125.04 3i1p n ARG 88 Ca 0.15 -0.21 -0.32 0.00 -0.92 0.00 0.00 57.85 56.55 3i1p n ARG 88 Cb 0.48 -0.02 0.14 0.00 0.45 0.00 0.00 32.46 33.51 3i1p n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1p s ALA 89 N -2.05 1.72 -0.47 5.13 0.00 -1.26 -3.12 121.76 121.71 3i1p s ALA 89 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3i1p s ALA 89 Cb -0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3i1p s ALA 89 CO 0.03 -2.44 0.00 1.63 0.00 0.00 0.00 175.76 174.98 3i1p n LYS 90 N -3.69 -1.87 -2.59 0.00 5.02 -1.26 -2.30 118.16 111.48 3i1p n LYS 90 Ca 0.12 0.65 -0.05 0.00 -2.02 0.00 0.00 58.31 57.02 3i1p n LYS 90 Cb 0.51 -5.11 0.02 0.00 -0.02 0.00 0.00 35.03 30.43 3i1p n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 91 N 0.67 0.49 3.37 0.72 0.00 -1.18 -5.06 105.19 104.19 3i1p n GLY 91 Ca -0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3i1p n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p s ARG 92 N -4.93 3.10 -0.17 1.61 0.52 -0.97 -4.98 118.95 113.13 3i1p s ARG 92 Ca 0.08 -0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 54.49 3i1p s ARG 92 Cb -0.04 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 3i1p s ARG 92 CO 0.16 0.31 0.11 0.00 0.02 0.00 0.00 175.30 175.89 3i1p s ALA 93 N 0.09 3.64 0.59 2.13 0.00 -1.26 -0.49 121.76 126.46 3i1p s ALA 93 Ca -0.07 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.25 3i1p s ALA 93 Cb -0.15 -2.01 0.08 0.00 0.00 0.00 0.00 23.12 21.04 3i1p s ALA 93 CO 0.05 0.31 0.81 -0.51 0.00 0.00 0.00 175.76 176.42 3i1p s ASP 94 N -0.08 5.01 -0.15 0.00 1.11 -0.57 -4.91 116.67 117.07 3i1p s ASP 94 Ca 0.09 -0.58 -0.02 0.00 0.18 0.00 0.00 52.55 52.21 3i1p s ASP 94 Cb -0.12 -0.03 -0.24 0.00 1.07 0.00 0.00 42.92 43.60 3i1p s ASP 94 CO 0.00 -1.37 0.23 -1.14 1.18 0.00 0.00 175.17 174.08 3i1p n ARG 95 N -2.34 0.72 -3.42 8.23 3.00 -1.26 -2.71 116.66 118.89 3i1p n ARG 95 Ca 0.14 0.23 -0.24 0.00 -0.00 0.00 0.00 57.85 57.97 3i1p n ARG 95 Cb 0.61 -1.66 0.01 0.00 0.00 0.00 0.00 32.46 31.41 3i1p n ARG 95 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i1p n ILE 96 N -3.37 -2.78 -2.12 5.15 3.06 -1.26 -3.56 119.36 114.47 3i1p n ILE 96 Ca -0.34 0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.50 3i1p n ILE 96 Cb 1.04 -2.50 -0.03 0.00 0.54 0.00 0.00 39.64 38.69 3i1p n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3i1p s LEU 97 N -3.71 4.38 -0.69 9.51 2.01 -1.26 -3.65 118.68 125.28 3i1p s LEU 97 Ca 0.10 2.45 -0.09 0.00 0.01 0.00 0.00 54.13 56.60 3i1p s LEU 97 Cb -0.01 -3.60 0.18 0.00 0.01 0.00 0.00 46.19 42.77 3i1p s LEU 97 CO 0.73 -0.65 0.56 -0.54 1.01 0.00 0.00 176.35 177.46 3i1p s LYS 98 N 0.54 2.99 0.78 1.70 1.02 -0.34 -4.91 119.74 121.53 3i1p s LYS 98 Ca 0.62 -2.38 -0.11 0.00 0.02 0.00 0.00 55.97 54.13 3i1p s LYS 98 Cb -0.39 -4.06 0.06 0.00 -0.52 0.00 0.00 37.83 32.93 3i1p s LYS 98 CO 0.35 -1.23 1.11 1.03 -0.92 0.00 0.00 175.35 175.68 3i1p s ARG 99 N 0.27 2.11 0.00 1.68 0.52 -1.26 -0.87 118.95 121.40 3i1p s ARG 99 Ca 0.15 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 3i1p s ARG 99 Cb -0.17 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3i1p s ARG 99 CO -0.05 -1.77 0.00 0.25 0.02 0.00 0.00 175.30 173.75 3i1p n THR 100 N -3.47 0.00 -3.62 0.02 -2.24 -1.19 -4.15 114.28 99.63 3i1p n THR 100 Ca 0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 3i1p n THR 100 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3i1p n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i1p s SER 101 N 1.00 -0.09 -0.35 3.42 1.04 -0.73 -3.21 113.70 114.78 3i1p s SER 101 Ca 0.00 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.48 3i1p s SER 101 Cb 0.00 0.09 0.10 0.00 0.10 0.00 0.00 66.02 66.31 3i1p s SER 101 CO 0.00 -0.14 0.08 -1.00 0.98 0.00 0.00 173.24 173.16 3i1p s HIS 102 N -2.05 3.25 -0.56 5.02 3.76 0.25 -1.53 115.29 123.42 3i1p s HIS 102 Ca 0.10 -2.74 -0.28 0.00 -0.15 0.00 0.00 55.06 51.99 3i1p s HIS 102 Cb -0.01 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 31.05 3i1p s HIS 102 CO -0.04 -0.91 1.45 0.42 -0.85 0.00 0.00 174.74 174.81 3i1p s ILE 103 N 0.94 3.74 -0.23 0.60 1.09 0.46 -1.30 121.20 126.51 3i1p s ILE 103 Ca 0.11 0.62 -0.09 0.00 -1.10 0.00 0.00 60.65 60.20 3i1p s ILE 103 Cb -0.19 -4.39 -0.04 0.00 -1.06 0.00 0.00 42.46 36.77 3i1p s ILE 103 CO -0.11 -1.15 0.11 -0.89 -0.10 0.00 0.00 174.94 172.81 3i1p s THR 104 N 6.28 4.94 -0.01 2.92 2.01 -0.80 -0.59 115.64 130.40 3i1p s THR 104 Ca 0.54 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.61 3i1p s THR 104 Cb -0.11 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 3i1p s THR 104 CO 0.25 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.74 3i1p s VAL 105 N 1.01 0.96 -0.05 3.82 1.01 -0.59 -0.76 120.40 125.79 3i1p s VAL 105 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3i1p s VAL 105 Cb -0.14 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.47 3i1p s VAL 105 CO 0.04 0.25 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 3i1p s VAL 106 N -0.32 0.23 -0.30 2.92 1.01 0.17 -2.16 120.40 121.94 3i1p s VAL 106 Ca 0.04 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3i1p s VAL 106 Cb -0.05 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 36.03 3i1p s VAL 106 CO -0.00 0.22 0.05 0.54 0.00 0.00 0.00 175.10 175.91 3i1p s VAL 107 N 1.80 1.50 0.00 2.92 0.11 -1.24 -1.63 120.40 123.86 3i1p s VAL 107 Ca 0.02 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.37 3i1p s VAL 107 Cb -0.13 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 3i1p s VAL 107 CO -0.04 -0.53 0.00 -0.24 -3.33 0.00 0.00 175.10 170.96 3i1p n SER 108 N 4.60 0.00 0.03 3.54 2.88 -1.25 -4.65 113.62 118.77 3i1p n SER 108 Ca -0.02 -0.58 -0.01 0.00 -1.33 0.00 0.00 58.87 56.93 3i1p n SER 108 Cb 0.42 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.80 3i1p n SER 108 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i1p h ASP 109 N 0.00 0.00 -0.00 -3.46 3.04 -1.84 -3.31 116.42 110.85 3i1p h ASP 109 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3i1p h ASP 109 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3i1p h ASP 109 CO 0.00 0.64 0.00 -1.14 -2.04 0.00 0.00 179.24 176.70