#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n ARG 3 N 0.00 1.71 -3.78 -0.14 0.00 -1.26 -5.04 116.66 108.15 2i2p n ARG 3 Ca 0.00 -0.32 -0.21 0.00 -0.00 0.00 0.00 57.85 57.32 2i2p n ARG 3 Cb 0.00 -0.82 -0.03 0.00 -0.00 0.00 0.00 32.46 31.61 2i2p n ARG 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2i2p s ARG 4 N -0.34 2.74 0.07 2.89 6.06 -1.26 -5.14 118.95 123.98 2i2p s ARG 4 Ca 0.00 -1.28 0.05 0.00 -2.50 0.00 0.00 55.73 52.00 2i2p s ARG 4 Cb 0.00 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.48 2i2p s ARG 4 CO 0.00 0.08 -0.15 0.14 -2.50 0.00 0.00 175.30 172.88 2i2p s VAL 5 N -2.30 1.15 0.43 7.11 -7.23 -1.26 -5.16 120.40 113.14 2i2p s VAL 5 Ca 0.41 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2i2p s VAL 5 Cb -0.06 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 2i2p s VAL 5 CO 0.27 -0.21 0.08 2.30 -0.31 0.00 0.00 175.10 177.23 2i2p n ILE 6 N 1.28 0.00 0.00 -0.62 -5.35 -1.26 -5.14 119.36 108.27 2i2p n ILE 6 Ca -0.21 -2.30 0.00 0.00 -0.27 0.00 0.00 62.75 59.97 2i2p n ILE 6 Cb 0.54 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 2i2p n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i2p n GLY 7 N -0.75 0.18 3.48 3.28 0.00 -1.26 -5.15 105.19 104.98 2i2p n GLY 7 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2i2p n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i2p s GLN 8 N 0.26 1.03 -0.78 1.61 0.74 -1.26 -5.11 119.66 116.16 2i2p s GLN 8 Ca 0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 2i2p s GLN 8 Cb 0.00 0.48 0.19 0.00 1.10 0.00 0.00 33.01 34.78 2i2p s GLN 8 CO 0.00 -0.41 0.63 0.50 -0.55 0.00 0.00 175.29 175.46 2i2p s ARG 9 N -2.69 2.94 0.67 1.67 3.52 -1.26 -5.08 118.95 118.73 2i2p s ARG 9 Ca -0.01 -3.01 -0.08 0.00 -0.13 0.00 0.00 55.73 52.50 2i2p s ARG 9 Cb -0.01 -3.83 0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2i2p s ARG 9 CO -0.05 -1.23 1.00 -1.59 -0.81 0.00 0.00 175.30 172.62 2i2p s LYS 10 N -0.89 2.55 0.00 5.12 0.00 -1.26 -5.10 119.74 120.16 2i2p s LYS 10 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 55.97 56.19 2i2p s LYS 10 Cb -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 37.83 35.55 2i2p s LYS 10 CO -0.09 -1.04 0.00 0.44 0.00 0.00 0.00 175.35 174.66 2i2p n ILE 11 N -2.85 0.00 -1.71 3.79 -5.35 -1.26 -5.11 119.36 106.87 2i2p n ILE 11 Ca 0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.12 2i2p n ILE 11 Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.46 2i2p n ILE 11 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2i2p s LEU 12 N 0.00 4.33 0.00 7.28 2.01 -1.26 -4.98 118.68 126.06 2i2p s LEU 12 Ca 0.00 2.54 0.00 0.00 0.01 0.00 0.00 54.13 56.68 2i2p s LEU 12 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.67 2i2p s LEU 12 CO 0.00 -1.12 0.00 -0.81 1.01 0.00 0.00 176.35 175.43 2i2p n PRO 13 N 7.61 0.27 -1.58 1.29 -0.04 -1.26 -4.85 135.00 136.44 2i2p n PRO 13 Ca 0.20 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.21 2i2p n PRO 13 Cb 0.42 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.86 2i2p n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i2p n ASP 14 N -0.89 1.24 0.27 3.54 -0.08 -1.05 -4.84 116.55 114.73 2i2p n ASP 14 Ca 0.00 1.17 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 2i2p n ASP 14 Cb 0.00 -1.27 0.93 0.00 2.34 0.00 0.00 41.12 43.12 2i2p n ASP 14 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2i2p h PRO 15 N 2.09 0.00 0.00 -0.67 0.13 -1.93 -3.35 132.00 128.27 2i2p h PRO 15 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2i2p h PRO 15 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2i2p h PRO 15 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 2i2p n LYS 16 N -3.61 0.00 0.06 0.86 4.76 -1.26 -4.89 118.16 114.07 2i2p n LYS 16 Ca -0.01 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.50 2i2p n LYS 16 Cb 0.20 -0.04 0.31 0.00 -1.84 0.00 0.00 35.03 33.67 2i2p n LYS 16 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2i2p n PHE 17 N -1.49 0.31 -2.41 2.13 7.35 -1.26 -4.94 117.46 117.14 2i2p n PHE 17 Ca 0.00 0.14 -0.02 0.00 -0.76 0.00 0.00 57.45 56.80 2i2p n PHE 17 Cb 0.00 -0.72 -0.02 0.00 0.35 0.00 0.00 39.48 39.09 2i2p n PHE 17 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2i2p n GLY 18 N -0.63 -5.56 3.07 7.13 0.00 -1.26 -4.99 105.19 102.96 2i2p n GLY 18 Ca 0.01 0.78 0.05 0.00 0.00 0.00 0.00 46.02 46.86 2i2p n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i2p s SER 19 N -0.61 -0.14 0.06 1.61 1.04 -1.26 -4.81 113.70 109.59 2i2p s SER 19 Ca -0.12 0.00 -0.22 0.00 0.48 0.00 0.00 55.95 56.10 2i2p s SER 19 Cb 0.01 0.93 -0.10 0.00 0.10 0.00 0.00 66.02 66.96 2i2p s SER 19 CO 0.32 -0.02 1.34 -0.33 0.98 0.00 0.00 173.24 175.53 2i2p h GLU 20 N 6.76 -0.54 -1.00 4.02 5.08 -1.93 -2.62 114.58 124.34 2i2p h GLU 20 Ca -0.10 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 2i2p h GLU 20 Cb 1.18 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.45 2i2p h GLU 20 CO -0.14 -0.36 0.61 1.37 -1.00 0.00 0.00 179.01 179.49 2i2p h LEU 21 N -0.56 0.78 -1.19 1.33 -0.00 -1.98 0.87 115.31 114.56 2i2p h LEU 21 Ca -0.03 0.10 0.24 0.00 -0.00 0.00 0.00 57.88 58.19 2i2p h LEU 21 Cb 0.51 -0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 41.03 2i2p h LEU 21 CO -0.09 0.26 0.63 0.25 -0.00 0.00 0.00 178.44 179.49 2i2p h LEU 22 N 0.75 0.59 -0.80 0.17 7.12 -1.89 0.18 115.31 121.43 2i2p h LEU 22 Ca 0.59 0.10 0.19 0.00 0.13 0.00 0.00 57.88 58.88 2i2p h LEU 22 Cb 0.93 -0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.94 2i2p h LEU 22 CO -0.39 0.15 0.24 0.00 -0.13 0.00 0.00 178.44 178.31 2i2p h ALA 23 N 1.66 1.12 -0.57 1.25 0.00 -0.69 0.14 119.26 122.16 2i2p h ALA 23 Ca 0.59 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.80 2i2p h ALA 23 Cb 1.24 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2i2p h ALA 23 CO -0.36 -0.36 -0.06 0.87 0.00 0.00 0.00 179.25 179.35 2i2p h LYS 24 N 0.29 0.07 -0.34 0.00 1.57 -0.75 1.00 116.57 118.41 2i2p h LYS 24 Ca 0.47 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.35 2i2p h LYS 24 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2i2p h LYS 24 CO -0.54 0.04 0.32 0.35 -0.57 0.00 0.00 179.45 179.05 2i2p h PHE 25 N 0.07 0.00 0.00 -1.35 3.57 -0.79 1.74 116.94 120.17 2i2p h PHE 25 Ca 0.29 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.51 2i2p h PHE 25 Cb 0.45 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2i2p h PHE 25 CO -0.39 0.00 -1.61 -0.39 -2.23 0.00 0.00 178.31 173.69 2i2p h VAL 26 N 0.00 0.91 0.00 1.41 -1.51 0.94 -3.24 116.25 114.76 2i2p h VAL 26 Ca 0.16 -2.73 -0.00 0.00 -1.23 0.00 0.00 66.70 62.90 2i2p h VAL 26 Cb 0.80 2.44 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 2i2p h VAL 26 CO -0.00 0.52 -0.19 0.78 -1.23 0.00 0.00 177.57 177.45 2i2p h ASN 27 N 0.00 0.00 -0.96 4.19 2.35 0.35 -1.56 115.58 119.95 2i2p h ASN 27 Ca -0.25 -0.02 0.29 0.00 -0.55 0.00 0.00 56.30 55.77 2i2p h ASN 27 Cb 1.96 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.18 2i2p h ASN 27 CO 0.08 0.60 0.44 0.40 -1.65 0.00 0.00 177.43 177.31 2i2p h ILE 28 N -1.00 0.30 0.07 2.81 2.04 0.22 0.67 117.51 122.62 2i2p h ILE 28 Ca -0.00 -0.10 -0.25 0.00 1.00 0.00 0.00 64.86 65.51 2i2p h ILE 28 Cb 0.20 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2i2p h ILE 28 CO -0.00 0.05 -1.09 0.25 0.00 0.00 0.00 178.15 177.36 2i2p h LEU 29 N 0.28 0.48 -9.52 1.44 6.46 -1.67 -3.46 115.31 109.32 2i2p h LEU 29 Ca 0.67 -0.44 -0.60 0.00 -0.12 0.00 0.00 57.88 57.38 2i2p h LEU 29 Cb 1.46 -0.15 0.10 0.00 -0.73 0.00 0.00 40.66 41.35 2i2p h LEU 29 CO -0.63 1.29 0.25 0.80 -0.62 0.00 0.00 178.44 179.53 2i2p n MET 30 N -3.64 1.52 -4.18 1.25 1.56 0.23 -5.00 117.12 108.86 2i2p n MET 30 Ca -0.08 0.54 -0.14 0.00 -0.27 0.00 0.00 57.70 57.75 2i2p n MET 30 Cb 0.93 -1.98 -0.11 0.00 2.15 0.00 0.00 33.22 34.21 2i2p n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2i2p s VAL 31 N -0.90 0.93 -1.52 1.12 0.11 -1.26 -4.78 120.40 114.09 2i2p s VAL 31 Ca 0.60 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 2i2p s VAL 31 Cb -0.69 -1.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2i2p s VAL 31 CO 0.59 -0.59 0.00 0.47 -3.33 0.00 0.00 175.10 172.24 2i2p n ASP 32 N 0.48 -4.17 -3.67 3.54 10.43 -1.26 -1.87 116.55 120.02 2i2p n ASP 32 Ca -0.15 0.30 -0.25 0.00 2.57 0.00 0.00 54.79 57.26 2i2p n ASP 32 Cb 0.58 -3.72 0.07 0.00 1.84 0.00 0.00 41.12 39.89 2i2p n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2i2p n GLY 33 N -0.45 -0.54 2.76 0.44 0.00 -1.26 -4.92 105.19 101.22 2i2p n GLY 33 Ca -0.16 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2i2p n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2p n LYS 34 N -4.94 3.96 0.10 1.61 5.02 -0.78 -4.80 118.16 118.32 2i2p n LYS 34 Ca 0.02 -4.55 0.19 0.00 -2.02 0.00 0.00 58.31 51.95 2i2p n LYS 34 Cb 0.55 -2.32 0.75 0.00 -0.02 0.00 0.00 35.03 33.99 2i2p n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2i2p h LYS 35 N 3.34 0.00 -0.29 1.97 3.64 -1.91 0.23 116.57 123.55 2i2p h LYS 35 Ca 0.36 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.82 2i2p h LYS 35 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2i2p h LYS 35 CO 1.04 0.00 0.21 1.03 -2.27 0.00 0.00 179.45 179.46 2i2p h SER 36 N 0.00 0.00 0.46 4.20 0.87 -1.99 -0.63 113.55 116.46 2i2p h SER 36 Ca 0.18 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 2i2p h SER 36 Cb 0.85 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 2i2p h SER 36 CO -0.00 0.00 -1.71 0.41 -0.53 0.00 0.00 176.83 175.00 2i2p n THR 37 N -4.40 1.12 -0.17 2.23 -1.04 0.75 -4.15 114.28 108.61 2i2p n THR 37 Ca 0.04 -0.71 -0.05 0.00 -2.04 0.00 0.00 64.05 61.29 2i2p n THR 37 Cb 0.37 -0.62 0.05 0.00 -1.82 0.00 0.00 70.33 68.31 2i2p n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2i2p h ALA 38 N 1.37 0.67 0.00 2.41 0.00 -0.69 0.15 119.26 123.18 2i2p h ALA 38 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2i2p h ALA 38 Cb 1.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2i2p h ALA 38 CO 0.04 -0.01 0.00 1.49 0.00 0.00 0.00 179.25 180.77 2i2p h GLU 39 N 0.59 0.00 0.00 0.00 4.57 -1.61 0.14 114.58 118.27 2i2p h GLU 39 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2i2p h GLU 39 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2i2p h GLU 39 CO -0.12 0.00 -0.10 0.43 -1.18 0.00 0.00 179.01 178.04 2i2p n SER 40 N -3.01 0.66 -0.05 1.04 7.64 0.51 -2.98 113.62 117.42 2i2p n SER 40 Ca -0.02 0.48 -0.09 0.00 1.01 0.00 0.00 58.87 60.25 2i2p n SER 40 Cb 0.15 -0.59 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 2i2p n SER 40 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2i2p n ILE 41 N -2.10 0.60 0.29 0.44 -0.00 0.05 -3.98 119.36 114.67 2i2p n ILE 41 Ca 0.05 -0.20 0.16 0.00 -0.00 0.00 0.00 62.75 62.76 2i2p n ILE 41 Cb 0.41 -1.15 0.58 0.00 -0.00 0.00 0.00 39.64 39.48 2i2p n ILE 41 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2i2p h VAL 42 N -0.15 0.00 0.00 1.39 2.07 -1.00 -2.23 116.25 116.34 2i2p h VAL 42 Ca -0.25 -0.57 -0.20 0.00 0.82 0.00 0.00 66.70 66.50 2i2p h VAL 42 Cb 1.32 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2i2p h VAL 42 CO -0.09 0.00 -1.39 0.00 0.02 0.00 0.00 177.57 176.11 2i2p n TYR 43 N -3.01 0.52 0.28 1.57 -0.00 -1.16 -4.25 117.16 111.12 2i2p n TYR 43 Ca 0.01 0.23 0.18 0.00 -0.00 0.00 0.00 57.90 58.32 2i2p n TYR 43 Cb 0.34 -0.88 0.94 0.00 -0.00 0.00 0.00 39.34 39.73 2i2p n TYR 43 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2i2p h SER 44 N -1.00 0.00 0.14 2.98 0.87 -1.69 -2.03 113.55 112.82 2i2p h SER 44 Ca -0.30 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2i2p h SER 44 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2i2p h SER 44 CO -0.18 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 176.05 2i2p h ALA 45 N 1.69 -0.18 0.00 6.23 0.00 -1.57 -2.62 119.26 122.80 2i2p h ALA 45 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2i2p h ALA 45 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2i2p h ALA 45 CO -0.00 -0.56 -0.22 -0.07 0.00 0.00 0.00 179.25 178.41 2i2p h LEU 46 N -0.28 0.00 -0.20 0.00 -0.00 -1.56 -1.65 115.31 111.62 2i2p h LEU 46 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2i2p h LEU 46 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2i2p h LEU 46 CO 0.03 0.22 0.00 -0.62 -0.00 0.00 0.00 178.44 178.07 2i2p n GLU 47 N -3.73 0.07 -0.09 1.13 -0.58 -1.01 -2.57 120.64 113.87 2i2p n GLU 47 Ca -0.01 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 56.91 2i2p n GLU 47 Cb 0.33 -1.62 -0.13 0.00 -0.57 0.00 0.00 31.44 29.45 2i2p n GLU 47 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2i2p n THR 48 N -1.74 1.16 0.60 2.62 -1.04 -0.66 -4.32 114.28 110.90 2i2p n THR 48 Ca 0.03 -0.66 0.11 0.00 -2.04 0.00 0.00 64.05 61.49 2i2p n THR 48 Cb 0.21 -0.69 0.44 0.00 -1.82 0.00 0.00 70.33 68.48 2i2p n THR 48 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2i2p n LEU 49 N -2.71 0.31 0.00 -4.42 4.77 -0.95 -3.78 117.00 110.22 2i2p n LEU 49 Ca -0.29 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2i2p n LEU 49 Cb 1.02 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2i2p n LEU 49 CO 0.33 -0.27 0.36 0.00 -1.33 0.00 0.00 177.39 176.47 2i2p n ALA 50 N -1.62 -0.08 -0.14 -1.18 0.00 -1.06 0.15 120.51 116.58 2i2p n ALA 50 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2i2p n ALA 50 Cb 0.26 0.22 0.49 0.00 0.00 0.00 0.00 19.45 20.43 2i2p n ALA 50 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2i2p h GLN 51 N 0.00 0.43 0.54 0.00 4.15 -1.87 1.26 115.11 119.63 2i2p h GLN 51 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2i2p h GLN 51 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2i2p h GLN 51 CO 0.00 0.29 -0.49 -0.09 -1.93 0.00 0.00 178.83 176.60 2i2p h ARG 52 N 0.45 -0.99 0.00 1.69 2.43 -1.37 -3.39 114.38 113.19 2i2p h ARG 52 Ca 0.33 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2i2p h ARG 52 Cb 0.67 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2i2p h ARG 52 CO -0.10 -0.66 -0.44 0.45 -1.51 0.00 0.00 179.97 177.71 2i2p n SER 53 N -5.57 0.94 0.00 -3.80 2.88 0.39 -5.08 113.62 103.38 2i2p n SER 53 Ca -0.12 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2i2p n SER 53 Cb 0.46 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2i2p n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i2p n GLY 54 N 1.52 2.28 3.33 0.46 0.00 0.43 -5.03 105.19 108.18 2i2p n GLY 54 Ca -0.06 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2i2p n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2p n LYS 55 N 0.00 0.18 -0.72 1.61 5.02 -1.26 -4.59 118.16 118.39 2i2p n LYS 55 Ca 0.00 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 2i2p n LYS 55 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2i2p n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2i2p n SER 56 N 1.21 0.40 0.26 4.39 7.64 -1.26 -4.57 113.62 121.69 2i2p n SER 56 Ca 0.08 0.50 0.18 0.00 1.01 0.00 0.00 58.87 60.64 2i2p n SER 56 Cb 0.50 -0.38 0.91 0.00 -1.01 0.00 0.00 64.21 64.23 2i2p n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2i2p h GLU 57 N 1.94 0.00 0.55 1.43 4.39 -1.89 -1.21 114.58 119.79 2i2p h GLU 57 Ca -0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2i2p h GLU 57 Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2i2p h GLU 57 CO 0.39 0.00 -0.50 1.25 -1.16 0.00 0.00 179.01 178.98 2i2p h LEU 58 N 0.00 -1.37 -0.25 1.33 5.85 -1.97 -2.10 115.31 116.80 2i2p h LEU 58 Ca 0.05 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2i2p h LEU 58 Cb 0.47 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2i2p h LEU 58 CO -0.00 -0.68 0.03 -0.33 -0.34 0.00 0.00 178.44 177.12 2i2p h GLU 59 N -1.04 0.41 -0.84 1.25 3.07 -1.61 -3.14 114.58 112.69 2i2p h GLU 59 Ca -0.07 -0.11 0.16 0.00 -0.50 0.00 0.00 59.36 58.84 2i2p h GLU 59 Cb 0.89 -0.05 -0.16 0.00 -0.84 0.00 0.00 28.75 28.60 2i2p h GLU 59 CO -0.04 0.55 -0.22 0.00 -1.40 0.00 0.00 179.01 177.90 2i2p n ALA 60 N -2.32 0.17 -0.67 3.43 0.00 -0.56 0.12 120.51 120.68 2i2p n ALA 60 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.32 2i2p n ALA 60 Cb 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2i2p n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i2p n PHE 61 N -5.35 0.00 -0.36 0.00 7.35 -0.81 -3.04 117.46 115.25 2i2p n PHE 61 Ca 0.13 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 57.08 2i2p n PHE 61 Cb 0.41 -0.16 0.52 0.00 0.35 0.00 0.00 39.48 40.60 2i2p n PHE 61 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2i2p h GLU 62 N 0.00 0.31 0.00 -4.13 4.81 -1.42 -0.49 114.58 113.65 2i2p h GLU 62 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2i2p h GLU 62 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2i2p h GLU 62 CO 0.00 0.20 0.00 0.28 -0.73 0.00 0.00 179.01 178.76 2i2p n VAL 63 N -4.77 0.00 0.24 0.32 0.31 0.31 -0.81 118.33 113.93 2i2p n VAL 63 Ca 0.30 1.39 0.09 0.00 -0.01 0.00 0.00 64.34 66.10 2i2p n VAL 63 Cb 1.03 -2.07 0.61 0.00 -0.91 0.00 0.00 33.84 32.50 2i2p n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2p h ALA 64 N -1.51 1.55 -0.28 3.52 0.00 -1.39 -1.75 119.26 119.40 2i2p h ALA 64 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2i2p h ALA 64 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2i2p h ALA 64 CO 0.00 0.18 0.20 1.25 0.00 0.00 0.00 179.25 180.88 2i2p h LEU 65 N 0.00 0.01 -2.07 0.00 5.85 -0.12 0.14 115.31 119.12 2i2p h LEU 65 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2i2p h LEU 65 Cb 0.30 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2i2p h LEU 65 CO 0.02 0.00 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.73 2i2p h GLU 66 N 0.01 0.00 -1.01 1.25 5.08 -0.02 -1.49 114.58 118.40 2i2p h GLU 66 Ca 0.13 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.03 2i2p h GLU 66 Cb 0.52 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.51 2i2p h GLU 66 CO -0.00 0.06 0.58 0.09 -1.00 0.00 0.00 179.01 178.74 2i2p n ASN 67 N -4.08 4.01 0.00 1.42 3.02 0.04 -4.03 115.26 115.64 2i2p n ASN 67 Ca -0.03 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 2i2p n ASN 67 Cb 0.15 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2i2p n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2i2p n VAL 68 N -0.88 0.00 -2.69 2.41 0.31 -0.59 -4.76 118.33 112.14 2i2p n VAL 68 Ca 0.52 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.42 2i2p n VAL 68 Cb 1.42 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 34.31 2i2p n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2i2p s ARG 69 N -0.72 4.36 0.00 5.55 0.52 -1.04 -4.48 118.95 123.13 2i2p s ARG 69 Ca 0.00 1.36 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 2i2p s ARG 69 Cb 0.00 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.89 2i2p s ARG 69 CO 0.00 -0.43 0.00 -0.35 0.02 0.00 0.00 175.30 174.54 2i2p n PRO 70 N 5.49 0.57 0.00 3.54 -0.04 -1.26 -5.02 135.00 138.28 2i2p n PRO 70 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2i2p n PRO 70 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2i2p n PRO 70 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2i2p n THR 71 N -0.86 0.00 -3.51 0.52 5.66 -1.26 -4.95 114.28 109.88 2i2p n THR 71 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2i2p n THR 71 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2i2p n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2i2p s VAL 72 N 0.00 -0.77 0.43 1.08 -7.23 -1.26 -2.94 120.40 109.71 2i2p s VAL 72 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2i2p s VAL 72 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 2i2p s VAL 72 CO 0.00 0.00 0.13 -1.83 -0.31 0.00 0.00 175.10 173.09 2i2p s GLU 73 N 2.70 1.99 0.09 4.82 -1.05 0.69 -4.73 118.70 123.21 2i2p s GLU 73 Ca -0.04 -2.23 0.08 0.00 -0.15 0.00 0.00 54.97 52.63 2i2p s GLU 73 Cb -0.09 -0.63 -0.03 0.00 -0.44 0.00 0.00 34.13 32.94 2i2p s GLU 73 CO -0.18 -0.51 -0.20 0.14 0.95 0.00 0.00 175.26 175.45 2i2p s VAL 74 N -3.17 1.65 -0.10 1.83 -7.23 -1.26 0.28 120.40 112.40 2i2p s VAL 74 Ca 0.21 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2i2p s VAL 74 Cb 0.02 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.48 2i2p s VAL 74 CO 0.14 -0.02 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.06 2i2p s LYS 75 N -1.74 1.76 0.12 4.82 2.47 -0.49 -4.96 119.74 121.73 2i2p s LYS 75 Ca 0.06 -0.37 -0.33 0.00 -1.56 0.00 0.00 55.97 53.76 2i2p s LYS 75 Cb -0.10 -1.64 -0.13 0.00 -1.46 0.00 0.00 37.83 34.50 2i2p s LYS 75 CO 0.04 -0.16 1.69 -1.13 0.16 0.00 0.00 175.35 175.95 2i2p n SER 76 N 4.53 3.42 -3.72 1.43 3.41 -1.26 -3.75 113.62 117.68 2i2p n SER 76 Ca -0.17 1.05 -0.26 0.00 -0.26 0.00 0.00 58.87 59.23 2i2p n SER 76 Cb 0.51 -1.45 -0.17 0.00 -0.26 0.00 0.00 64.21 62.83 2i2p n SER 76 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2i2p s ARG 77 N 1.77 0.51 0.17 4.33 6.06 0.13 -4.99 118.95 126.93 2i2p s ARG 77 Ca 0.81 -0.19 -0.30 0.00 -2.50 0.00 0.00 55.73 53.55 2i2p s ARG 77 Cb -0.63 -1.71 -0.07 0.00 0.06 0.00 0.00 34.95 32.60 2i2p s ARG 77 CO 0.39 -0.55 1.00 0.50 -2.50 0.00 0.00 175.30 174.15 2i2p s ARG 78 N 1.95 4.71 -0.15 5.12 3.00 -1.26 -0.66 118.95 131.66 2i2p s ARG 78 Ca 0.01 1.56 -0.06 0.00 -1.00 0.00 0.00 55.73 56.24 2i2p s ARG 78 Cb -0.15 -3.31 0.07 0.00 0.00 0.00 0.00 34.95 31.55 2i2p s ARG 78 CO -0.07 0.25 0.32 0.14 0.00 0.00 0.00 175.30 175.93 2i2p s VAL 79 N -0.44 -0.35 -1.29 7.11 -7.23 0.58 -4.91 120.40 113.88 2i2p s VAL 79 Ca 0.46 0.21 -0.09 0.00 -1.81 0.00 0.00 61.98 60.75 2i2p s VAL 79 Cb -0.26 -0.51 0.06 0.00 0.56 0.00 0.00 36.38 36.24 2i2p s VAL 79 CO 0.33 0.09 0.48 0.61 -0.31 0.00 0.00 175.10 176.29 2i2p n GLY 80 N 5.00 -0.49 0.00 2.32 0.00 -1.26 -1.30 105.19 109.47 2i2p n GLY 80 Ca -0.13 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2i2p n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2p n GLY 81 N -1.18 3.03 3.78 -0.02 0.00 -1.26 -5.03 105.19 104.51 2i2p n GLY 81 Ca -0.03 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2i2p n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i2p s SER 82 N 0.00 7.33 -0.63 1.61 1.04 -0.42 -5.03 113.70 117.60 2i2p s SER 82 Ca 0.00 1.62 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 2i2p s SER 82 Cb 0.00 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.79 2i2p s SER 82 CO 0.00 0.16 0.46 -0.89 0.98 0.00 0.00 173.24 173.95 2i2p s THR 83 N -1.24 3.89 0.97 2.02 2.01 -1.26 0.22 115.64 122.25 2i2p s THR 83 Ca 0.38 -2.86 -0.11 0.00 0.31 0.00 0.00 61.69 59.41 2i2p s THR 83 Cb -0.22 -3.52 0.17 0.00 0.01 0.00 0.00 72.50 68.94 2i2p s THR 83 CO 0.25 -0.88 1.08 -1.22 -0.69 0.00 0.00 174.62 173.16 2i2p n TYR 84 N 3.60 0.32 -1.81 4.92 0.53 0.17 -4.54 117.16 120.34 2i2p n TYR 84 Ca 0.08 0.28 -0.30 0.00 -1.02 0.00 0.00 57.90 56.94 2i2p n TYR 84 Cb 0.39 -1.93 0.04 0.00 -1.03 0.00 0.00 39.34 36.81 2i2p n TYR 84 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2i2p n GLN 85 N -4.28 3.19 -1.47 -0.72 1.13 -1.26 -0.69 117.38 113.28 2i2p n GLN 85 Ca 0.10 -3.83 -0.57 0.00 -1.94 0.00 0.00 57.00 50.75 2i2p n GLN 85 Cb 0.53 -2.28 -0.08 0.00 0.11 0.00 0.00 30.24 28.51 2i2p n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2i2p n VAL 86 N -0.75 0.00 -1.39 5.09 0.31 -1.25 -4.27 118.33 116.08 2i2p n VAL 86 Ca 0.51 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.55 2i2p n VAL 86 Cb 0.76 -0.21 0.15 0.00 -0.91 0.00 0.00 33.84 33.63 2i2p n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2i2p s PRO 87 N 1.28 0.89 -0.30 5.55 0.04 -1.26 -1.39 135.00 139.81 2i2p s PRO 87 Ca 0.88 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2i2p s PRO 87 Cb -1.25 -1.80 0.16 0.00 0.04 0.00 0.00 34.50 31.65 2i2p s PRO 87 CO 0.62 -2.39 0.99 0.54 0.04 0.00 0.00 177.00 176.80 2i2p s VAL 88 N -3.15 -0.31 -0.22 -0.36 0.11 0.79 -4.73 120.40 112.52 2i2p s VAL 88 Ca 0.64 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2i2p s VAL 88 Cb -0.16 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 2i2p s VAL 88 CO 0.55 0.00 1.48 -1.83 -3.33 0.00 0.00 175.10 171.97 2i2p s GLU 89 N 2.01 3.92 0.09 1.54 4.04 -1.26 -0.22 118.70 128.82 2i2p s GLU 89 Ca -0.05 1.59 -0.30 0.00 0.04 0.00 0.00 54.97 56.24 2i2p s GLU 89 Cb -0.05 -3.95 -0.06 0.00 0.02 0.00 0.00 34.13 30.09 2i2p s GLU 89 CO -0.16 -1.13 1.14 0.14 -1.84 0.00 0.00 175.26 173.41 2i2p s VAL 90 N 4.65 4.08 1.09 1.83 -7.23 -1.15 -4.91 120.40 118.76 2i2p s VAL 90 Ca 0.65 1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 62.26 2i2p s VAL 90 Cb -0.23 -4.01 0.24 0.00 0.56 0.00 0.00 36.38 32.95 2i2p s VAL 90 CO 0.26 0.17 1.07 -0.13 -0.31 0.00 0.00 175.10 176.15 2i2p s ARG 91 N 0.62 -0.34 0.22 4.82 3.00 -1.26 -4.74 118.95 121.27 2i2p s ARG 91 Ca 0.55 0.51 -0.08 0.00 0.00 0.00 0.00 55.73 56.72 2i2p s ARG 91 Cb -0.28 -1.65 0.17 0.00 0.00 0.00 0.00 34.95 33.19 2i2p s ARG 91 CO 0.31 -3.25 1.82 -1.00 0.00 0.00 0.00 175.30 173.17 2i2p h PRO 92 N -2.27 1.18 -0.85 3.54 0.13 -1.98 -2.01 132.00 129.74 2i2p h PRO 92 Ca -0.56 -0.17 0.09 0.00 -0.87 0.00 0.00 66.00 64.49 2i2p h PRO 92 Cb 1.33 -0.22 -0.12 0.00 0.13 0.00 0.00 31.00 32.13 2i2p h PRO 92 CO 0.53 0.90 -0.54 -0.39 -0.23 0.00 0.00 178.00 178.26 2i2p h VAL 93 N 1.17 0.01 0.00 1.56 -1.51 -2.02 -0.91 116.25 114.55 2i2p h VAL 93 Ca 0.29 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.64 2i2p h VAL 93 Cb 0.10 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.25 2i2p h VAL 93 CO -0.04 0.00 -0.92 0.08 -1.23 0.00 0.00 177.57 175.47 2i2p h ARG 94 N -0.09 0.00 0.00 5.19 0.11 -1.94 -3.35 114.38 114.29 2i2p h ARG 94 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2i2p h ARG 94 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2i2p h ARG 94 CO -0.86 0.35 0.00 -2.13 0.10 0.00 0.00 179.97 177.43 2i2p n ARG 95 N -3.03 0.00 -0.36 0.08 0.63 -0.41 0.08 116.66 113.65 2i2p n ARG 95 Ca -0.03 0.75 0.27 0.00 -0.92 0.00 0.00 57.85 57.92 2i2p n ARG 95 Cb 0.76 -1.47 0.55 0.00 0.45 0.00 0.00 32.46 32.75 2i2p n ARG 95 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2i2p h ASN 96 N 0.00 0.38 0.43 6.15 7.08 -1.57 -0.07 115.58 127.98 2i2p h ASN 96 Ca 0.00 0.11 -0.02 0.00 -3.08 0.00 0.00 56.30 53.31 2i2p h ASN 96 Cb 0.00 0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 2i2p h ASN 96 CO 0.00 -0.02 -0.20 0.00 -2.08 0.00 0.00 177.43 175.13 2i2p h ALA 97 N 1.63 -0.57 -0.85 4.14 0.00 -1.31 -2.73 119.26 119.56 2i2p h ALA 97 Ca 0.68 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.61 2i2p h ALA 97 Cb 1.87 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.72 2i2p h ALA 97 CO -0.35 -0.72 -0.05 -0.07 0.00 0.00 0.00 179.25 178.05 2i2p h LEU 98 N -0.77 -0.51 0.53 0.00 3.38 0.16 -0.69 115.31 117.40 2i2p h LEU 98 Ca -0.06 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2i2p h LEU 98 Cb 0.53 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2i2p h LEU 98 CO 0.10 -0.25 -0.46 0.00 0.09 0.00 0.00 178.44 177.91 2i2p h ALA 99 N 1.83 -1.15 -0.85 1.53 0.00 -1.39 -2.09 119.26 117.13 2i2p h ALA 99 Ca 0.46 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.39 2i2p h ALA 99 Cb 0.83 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 2i2p h ALA 99 CO -0.80 -1.16 0.27 0.52 0.00 0.00 0.00 179.25 178.08 2i2p h MET 100 N -0.97 0.28 0.51 0.00 2.86 -0.85 0.81 114.93 117.57 2i2p h MET 100 Ca -0.07 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2i2p h MET 100 Cb 0.82 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 2i2p h MET 100 CO -0.02 0.18 -0.32 0.00 1.06 0.00 0.00 176.91 177.81 2i2p h ARG 101 N 0.29 -0.76 -0.16 1.72 3.08 -1.02 0.65 114.38 118.18 2i2p h ARG 101 Ca 0.52 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.67 2i2p h ARG 101 Cb 0.99 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2i2p h ARG 101 CO -0.58 -0.51 0.12 -1.49 -1.07 0.00 0.00 179.97 176.45 2i2p h TRP 102 N -0.79 0.00 0.51 3.04 6.55 -0.66 -1.52 115.95 123.08 2i2p h TRP 102 Ca -0.07 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.75 2i2p h TRP 102 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 2i2p h TRP 102 CO -0.04 0.00 -0.24 0.82 -1.05 0.00 0.00 178.44 177.93 2i2p h ILE 103 N 0.00 0.16 -0.28 1.49 2.04 0.99 -3.09 117.51 118.83 2i2p h ILE 103 Ca 0.08 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2i2p h ILE 103 Cb 0.32 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2i2p h ILE 103 CO -0.00 0.03 0.18 0.58 0.00 0.00 0.00 178.15 178.94 2i2p h VAL 104 N -1.12 1.07 0.22 1.67 2.07 -0.67 -2.89 116.25 116.62 2i2p h VAL 104 Ca -0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2i2p h VAL 104 Cb 0.58 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2i2p h VAL 104 CO 0.11 0.07 -0.14 -0.08 0.02 0.00 0.00 177.57 177.55 2i2p h GLU 105 N 0.37 -0.33 -0.84 1.57 4.81 -1.31 -2.53 114.58 116.33 2i2p h GLU 105 Ca 0.10 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.55 2i2p h GLU 105 Cb -0.04 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.30 2i2p h GLU 105 CO -0.02 -0.22 0.31 0.00 -0.73 0.00 0.00 179.01 178.35 2i2p h ALA 106 N -1.67 1.24 -0.94 2.92 0.00 -1.52 0.32 119.26 119.60 2i2p h ALA 106 Ca -0.03 0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.27 2i2p h ALA 106 Cb 0.28 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2i2p h ALA 106 CO 0.03 -0.33 0.63 0.00 0.00 0.00 0.00 179.25 179.57 2i2p h ALA 107 N 1.67 2.33 -0.20 0.00 0.00 -1.35 1.13 119.26 122.84 2i2p h ALA 107 Ca 0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2i2p h ALA 107 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2i2p h ALA 107 CO -0.52 -0.63 0.00 -2.13 0.00 0.00 0.00 179.25 175.97 2i2p n ARG 108 N -4.49 1.79 -0.01 0.00 0.63 0.11 -3.35 116.66 111.35 2i2p n ARG 108 Ca 0.20 -1.19 0.04 0.00 -0.92 0.00 0.00 57.85 55.98 2i2p n ARG 108 Cb 0.78 -1.39 0.03 0.00 0.45 0.00 0.00 32.46 32.34 2i2p n ARG 108 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2i2p n LYS 109 N 0.42 0.13 -0.31 -0.14 5.02 0.38 -4.60 118.16 119.07 2i2p n LYS 109 Ca 0.16 -0.97 0.08 0.00 -2.02 0.00 0.00 58.31 55.55 2i2p n LYS 109 Cb 0.34 -1.14 0.24 0.00 -0.02 0.00 0.00 35.03 34.45 2i2p n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i2p h ARG 110 N 1.41 0.66 -4.62 1.97 2.47 -1.24 -3.47 114.38 111.56 2i2p h ARG 110 Ca 0.00 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.42 2i2p h ARG 110 Cb 0.32 -0.15 0.12 0.00 -1.65 0.00 0.00 29.97 28.61 2i2p h ARG 110 CO 0.00 0.43 -0.54 0.41 0.56 0.00 0.00 179.97 180.83 2i2p n GLY 111 N -1.33 -0.14 0.00 0.04 0.00 -1.26 -5.00 105.19 97.50 2i2p n GLY 111 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2i2p n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i2p n ASP 112 N -2.32 0.00 0.00 1.61 9.92 -1.26 -5.14 116.55 119.36 2i2p n ASP 112 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2i2p n ASP 112 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 2i2p n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2i2p n LYS 113 N 0.00 0.00 -3.56 -1.24 5.02 -1.26 -5.13 118.16 111.99 2i2p n LYS 113 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2i2p n LYS 113 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2i2p n LYS 113 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2i2p s SER 114 N 1.00 6.45 0.22 4.39 1.04 -1.26 -5.02 113.70 120.52 2i2p s SER 114 Ca 0.00 0.58 0.05 0.00 0.48 0.00 0.00 55.95 57.06 2i2p s SER 114 Cb 0.00 -2.09 0.17 0.00 0.10 0.00 0.00 66.02 64.21 2i2p s SER 114 CO 0.00 -0.07 1.50 0.24 0.98 0.00 0.00 173.24 175.89 2i2p h MET 115 N 2.14 0.19 -0.86 4.02 2.86 -1.95 -2.33 114.93 119.00 2i2p h MET 115 Ca -0.47 -0.15 0.22 0.00 -2.06 0.00 0.00 59.70 57.23 2i2p h MET 115 Cb 1.18 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 32.74 2i2p h MET 115 CO 0.69 0.81 0.24 0.00 1.06 0.00 0.00 176.91 179.71 2i2p h ALA 116 N 1.15 1.24 0.21 6.32 0.00 -1.95 0.70 119.26 126.92 2i2p h ALA 116 Ca -0.02 0.21 -0.35 0.00 0.00 0.00 0.00 54.91 54.76 2i2p h ALA 116 Cb 1.24 0.29 0.02 0.00 0.00 0.00 0.00 17.79 19.34 2i2p h ALA 116 CO 0.10 -0.43 -1.65 1.25 0.00 0.00 0.00 179.25 178.52 2i2p h LEU 117 N 0.24 0.69 -1.08 0.00 7.12 -1.97 -2.92 115.31 117.37 2i2p h LEU 117 Ca 0.53 -0.91 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2i2p h LEU 117 Cb 1.04 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2i2p h LEU 117 CO -0.62 1.75 0.00 0.54 -0.13 0.00 0.00 178.44 179.98 2i2p n ARG 118 N -3.63 0.11 -0.12 1.25 1.74 -0.01 -1.69 116.66 114.31 2i2p n ARG 118 Ca -0.22 0.60 -0.25 0.00 -0.77 0.00 0.00 57.85 57.21 2i2p n ARG 118 Cb 1.09 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 30.56 2i2p n ARG 118 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2i2p n LEU 119 N -2.08 2.23 -0.13 0.55 -0.00 0.22 -4.32 117.00 113.47 2i2p n LEU 119 Ca -0.01 0.23 -0.06 0.00 -0.00 0.00 0.00 56.01 56.17 2i2p n LEU 119 Cb 0.03 -0.89 0.03 0.00 -0.00 0.00 0.00 43.42 42.59 2i2p n LEU 119 CO 0.08 0.63 0.99 0.00 -0.00 0.00 0.00 177.39 179.09 2i2p h ALA 120 N -0.61 0.52 -0.73 1.96 0.00 -1.25 -1.45 119.26 117.70 2i2p h ALA 120 Ca -0.60 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.42 2i2p h ALA 120 Cb 1.66 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 2i2p h ALA 120 CO -0.28 -0.17 -0.51 -0.91 0.00 0.00 0.00 179.25 177.38 2i2p h ASN 121 N 0.40 -1.82 0.32 0.00 -0.26 -1.55 0.17 115.58 112.84 2i2p h ASN 121 Ca 0.18 0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 56.12 2i2p h ASN 121 Cb 0.11 0.81 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 2i2p h ASN 121 CO -0.14 -0.31 -0.36 -0.33 -1.06 0.00 0.00 177.43 175.23 2i2p h GLU 122 N -0.17 0.06 0.00 0.81 3.07 -1.70 0.65 114.58 117.29 2i2p h GLU 122 Ca 0.16 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 2i2p h GLU 122 Cb 0.52 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2i2p h GLU 122 CO -0.78 0.41 -0.14 1.25 -1.40 0.00 0.00 179.01 178.34 2i2p h LEU 123 N 0.05 0.00 0.00 1.33 7.12 0.37 -2.97 115.31 121.20 2i2p h LEU 123 Ca 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.75 2i2p h LEU 123 Cb 0.65 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.73 2i2p h LEU 123 CO 0.05 0.14 -2.07 -1.20 -0.13 0.00 0.00 178.44 175.23 2i2p n SER 124 N -4.26 1.06 0.20 1.25 7.64 -0.39 -4.39 113.62 114.73 2i2p n SER 124 Ca -0.02 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.04 2i2p n SER 124 Cb 0.21 0.97 0.82 0.00 -1.01 0.00 0.00 64.21 65.20 2i2p n SER 124 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2i2p h ASP 125 N 0.00 0.00 0.51 6.43 5.19 0.45 -2.69 116.42 126.31 2i2p h ASP 125 Ca -0.40 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.99 2i2p h ASP 125 Cb 1.89 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.40 2i2p h ASP 125 CO 0.02 0.00 -0.25 0.00 -3.12 0.00 0.00 179.24 175.90 2i2p h ALA 126 N 1.58 -1.01 -0.01 3.45 0.00 -1.73 0.48 119.26 122.01 2i2p h ALA 126 Ca 0.10 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2i2p h ALA 126 Cb 0.72 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2i2p h ALA 126 CO -0.00 -0.96 -0.50 0.00 0.00 0.00 0.00 179.25 177.78 2i2p h ALA 127 N -1.58 -0.86 0.00 0.00 0.00 -1.64 0.40 119.26 115.58 2i2p h ALA 127 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2i2p h ALA 127 Cb 0.53 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2i2p h ALA 127 CO 0.12 -1.06 0.00 -1.91 0.00 0.00 0.00 179.25 176.39 2i2p n GLU 128 N -5.46 0.15 -1.77 0.00 2.13 -1.13 -4.94 120.64 109.62 2i2p n GLU 128 Ca -0.07 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2i2p n GLU 128 Cb 0.39 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.19 2i2p n GLU 128 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2i2p n ASN 129 N -2.22 -6.70 0.00 4.31 4.13 0.15 -5.06 115.26 109.87 2i2p n ASN 129 Ca -0.00 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.37 2i2p n ASN 129 Cb 0.10 -3.64 0.00 0.00 -1.54 0.00 0.00 39.78 34.70 2i2p n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2i2p n LYS 130 N 1.16 0.00 0.00 3.52 4.81 -0.40 -4.94 118.16 122.32 2i2p n LYS 130 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2i2p n LYS 130 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2i2p n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i2p n GLY 131 N -1.16 1.15 0.17 3.14 0.00 -1.26 -4.35 105.19 102.88 2i2p n GLY 131 Ca 0.00 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 2i2p n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2i2p h THR 132 N 0.00 1.36 0.03 2.61 2.02 -1.96 -3.00 112.91 113.97 2i2p h THR 132 Ca 0.00 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2i2p h THR 132 Cb 0.00 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2i2p h THR 132 CO 0.00 0.62 -0.11 0.00 0.37 0.00 0.00 175.52 176.40 2i2p h ALA 133 N 0.39 -0.66 -0.58 6.16 0.00 -1.86 -1.89 119.26 120.82 2i2p h ALA 133 Ca -0.08 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.96 2i2p h ALA 133 Cb 1.40 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 2i2p h ALA 133 CO 0.14 -0.68 0.41 -0.24 0.00 0.00 0.00 179.25 178.88 2i2p h VAL 134 N -0.16 0.74 0.09 0.00 3.04 -1.78 -2.48 116.25 115.70 2i2p h VAL 134 Ca -0.00 -0.03 0.01 0.00 -1.01 0.00 0.00 66.70 65.67 2i2p h VAL 134 Cb 0.16 0.66 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 2i2p h VAL 134 CO -0.06 0.01 -0.40 0.50 -1.01 0.00 0.00 177.57 176.62 2i2p h LYS 135 N 0.08 -0.54 -0.91 4.17 3.64 -1.20 -2.00 116.57 119.81 2i2p h LYS 135 Ca 0.28 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.94 2i2p h LYS 135 Cb 1.01 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.81 2i2p h LYS 135 CO -0.02 -0.36 0.34 -0.22 -2.27 0.00 0.00 179.45 176.92 2i2p h LYS 136 N -0.56 0.28 -0.24 1.90 1.63 -1.10 0.11 116.57 118.58 2i2p h LYS 136 Ca -0.00 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2i2p h LYS 136 Cb 0.57 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2i2p h LYS 136 CO -0.22 0.18 -0.16 -0.09 -3.45 0.00 0.00 179.45 175.72 2i2p h ARG 137 N 0.29 -0.02 0.00 1.90 1.12 -1.37 0.42 114.38 116.72 2i2p h ARG 137 Ca 0.59 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.39 2i2p h ARG 137 Cb 1.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 2i2p h ARG 137 CO -0.61 -0.01 -0.34 0.93 -3.11 0.00 0.00 179.97 176.83 2i2p h GLU 138 N -0.02 0.00 -0.78 0.20 4.39 -1.49 -3.11 114.58 113.77 2i2p h GLU 138 Ca 0.04 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2i2p h GLU 138 Cb 0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2i2p h GLU 138 CO -0.24 0.34 0.51 0.22 -1.16 0.00 0.00 179.01 178.69 2i2p h ASP 139 N 0.00 0.81 -0.09 1.42 -0.00 0.99 0.28 116.42 119.83 2i2p h ASP 139 Ca -0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.03 56.91 2i2p h ASP 139 Cb 1.08 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 40.22 2i2p h ASP 139 CO 0.04 0.55 -0.29 0.58 -0.00 0.00 0.00 179.24 180.12 2i2p h VAL 140 N 0.93 1.28 -0.20 2.25 2.07 -0.18 -2.51 116.25 119.89 2i2p h VAL 140 Ca 0.32 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2i2p h VAL 140 Cb 0.09 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2i2p h VAL 140 CO -0.10 0.44 0.14 0.45 0.02 0.00 0.00 177.57 178.52 2i2p h HIS 141 N 0.48 0.06 0.37 1.57 3.86 -1.00 -2.13 115.15 118.36 2i2p h HIS 141 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2i2p h HIS 141 Cb 0.75 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 2i2p h HIS 141 CO 0.03 0.03 -0.36 0.00 0.86 0.00 0.00 177.93 178.49 2i2p h ARG 142 N 0.06 -0.70 -0.63 2.45 3.08 -1.05 -0.80 114.38 116.80 2i2p h ARG 142 Ca 0.09 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.36 2i2p h ARG 142 Cb 0.29 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2i2p h ARG 142 CO -0.01 -0.47 0.44 0.52 -1.07 0.00 0.00 179.97 179.39 2i2p h MET 143 N -0.72 0.09 -7.02 0.04 2.86 -1.58 -3.32 114.93 105.27 2i2p h MET 143 Ca -0.05 -0.01 -0.48 0.00 -2.06 0.00 0.00 59.70 57.10 2i2p h MET 143 Cb 0.63 -0.02 0.03 0.00 0.06 0.00 0.00 31.60 32.30 2i2p h MET 143 CO -0.04 0.06 0.42 0.00 1.06 0.00 0.00 176.91 178.40 2i2p s ALA 144 N -5.09 2.95 0.00 6.32 0.00 -0.30 -3.53 121.76 122.10 2i2p s ALA 144 Ca -0.06 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2i2p s ALA 144 Cb 0.20 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2i2p s ALA 144 CO 0.74 -0.39 0.00 -1.91 0.00 0.00 0.00 175.76 174.20 2i2p n GLU 145 N -0.60 0.00 0.00 0.00 4.07 -1.26 -4.42 120.64 118.43 2i2p n GLU 145 Ca 0.08 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.21 2i2p n GLU 145 Cb 0.50 -0.52 0.18 0.00 -0.06 0.00 0.00 31.44 31.54 2i2p n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i2p n ALA 146 N 0.00 1.50 -0.37 4.31 0.00 -1.24 0.36 120.51 125.07 2i2p n ALA 146 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2i2p n ALA 146 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2i2p n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2p n ASN 147 N -1.30 1.19 0.25 0.00 4.13 -1.23 -4.76 115.26 113.54 2i2p n ASN 147 Ca 0.03 -1.56 0.16 0.00 1.68 0.00 0.00 54.58 54.89 2i2p n ASN 147 Cb 0.06 0.00 0.74 0.00 -1.54 0.00 0.00 39.78 39.04 2i2p n ASN 147 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2i2p h LYS 148 N 0.00 0.00 0.00 3.52 2.10 -0.41 0.51 116.57 122.29 2i2p h LYS 148 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i2p h LYS 148 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2i2p h LYS 148 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 2i2p n ALA 149 N -2.01 1.20 -1.73 0.07 0.00 -1.26 -3.99 120.51 112.78 2i2p n ALA 149 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2i2p n ALA 149 Cb 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2i2p n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2i2p n PHE 150 N -1.35 0.00 0.00 0.00 0.99 0.18 -5.17 117.46 112.11 2i2p n PHE 150 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2i2p n PHE 150 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 2i2p n PHE 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76