#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n VAL 2 N 0.00 3.53 -3.62 1.12 3.14 -1.26 -3.09 118.33 118.15 2i2p n VAL 2 Ca 0.00 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.85 2i2p n VAL 2 Cb 0.00 -1.13 -0.01 0.00 -1.06 0.00 0.00 33.84 31.63 2i2p n VAL 2 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2i2p s THR 3 N -1.51 0.00 -0.82 1.55 -1.32 -0.14 -1.87 115.64 111.53 2i2p s THR 3 Ca 0.74 -0.23 -0.14 0.00 -1.21 0.00 0.00 61.69 60.85 2i2p s THR 3 Cb -0.43 -1.56 0.22 0.00 -1.51 0.00 0.00 72.50 69.22 2i2p s THR 3 CO 0.48 0.00 0.77 -0.63 -2.21 0.00 0.00 174.62 173.03 2i2p s ILE 4 N -2.77 5.59 0.31 5.08 1.09 -1.26 -0.91 121.20 128.32 2i2p s ILE 4 Ca 0.11 -2.43 0.04 0.00 -1.10 0.00 0.00 60.65 57.26 2i2p s ILE 4 Cb 0.01 -4.47 0.04 0.00 -1.06 0.00 0.00 42.46 36.98 2i2p s ILE 4 CO -0.04 -1.03 0.33 -2.11 -0.10 0.00 0.00 174.94 171.99 2i2p n ARG 5 N 4.05 0.92 -4.11 2.79 1.85 -0.99 -3.58 116.66 117.59 2i2p n ARG 5 Ca 0.13 -1.77 -0.33 0.00 -1.00 0.00 0.00 57.85 54.89 2i2p n ARG 5 Cb 0.47 0.03 -0.07 0.00 -1.05 0.00 0.00 32.46 31.84 2i2p n ARG 5 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2i2p s LEU 6 N 0.00 3.85 -0.13 2.89 2.96 -1.26 -1.75 118.68 125.24 2i2p s LEU 6 Ca 0.25 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2i2p s LEU 6 Cb -0.02 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.43 2i2p s LEU 6 CO 0.16 0.26 0.03 0.00 -1.32 0.00 0.00 176.35 175.48 2i2p s ALA 7 N -1.22 0.74 0.02 5.97 0.00 -1.02 -4.92 121.76 121.34 2i2p s ALA 7 Ca 0.24 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 2i2p s ALA 7 Cb -0.12 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 2i2p s ALA 7 CO 0.15 -0.85 1.61 0.50 0.00 0.00 0.00 175.76 177.17 2i2p s ARG 8 N 1.97 4.21 -0.00 0.00 3.52 -1.26 0.08 118.95 127.46 2i2p s ARG 8 Ca 0.02 2.23 0.01 0.00 -0.13 0.00 0.00 55.73 57.86 2i2p s ARG 8 Cb -0.15 -3.71 0.01 0.00 -1.56 0.00 0.00 34.95 29.54 2i2p s ARG 8 CO -0.07 -0.74 0.70 0.72 -0.81 0.00 0.00 175.30 175.10 2i2p n HIS 9 N 6.02 0.00 -3.30 5.12 8.25 -0.51 -4.92 115.22 125.88 2i2p n HIS 9 Ca 0.16 -0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 2i2p n HIS 9 Cb 0.42 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 2i2p n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2i2p s GLY 10 N -0.45 1.65 1.16 -1.41 0.00 -0.86 -4.65 107.32 102.75 2i2p s GLY 10 Ca 0.01 -0.68 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 2i2p s GLY 10 CO 0.00 -0.59 0.55 0.00 0.00 0.00 0.00 173.10 173.07 2i2p n ALA 11 N -1.34 -3.53 -1.75 3.20 0.00 -0.96 -4.42 120.51 111.72 2i2p n ALA 11 Ca -0.03 -1.24 -0.38 0.00 0.00 0.00 0.00 53.44 51.79 2i2p n ALA 11 Cb 0.55 -1.78 0.04 0.00 0.00 0.00 0.00 19.45 18.26 2i2p n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2i2p s LYS 12 N -3.96 3.16 0.00 0.00 2.20 -1.26 -2.66 119.74 117.23 2i2p s LYS 12 Ca 0.63 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 2i2p s LYS 12 Cb -0.19 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 2i2p s LYS 12 CO 0.66 -1.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.14 2i2p n LYS 13 N -1.07 0.00 -3.46 4.03 4.76 -1.26 -4.65 118.16 116.52 2i2p n LYS 13 Ca 0.11 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.21 2i2p n LYS 13 Cb 0.46 -0.53 -0.06 0.00 -1.84 0.00 0.00 35.03 33.06 2i2p n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2i2p n ARG 14 N 0.00 2.93 -2.27 1.97 1.74 -1.09 -5.07 116.66 114.87 2i2p n ARG 14 Ca 0.00 -4.56 -0.40 0.00 -0.77 0.00 0.00 57.85 52.12 2i2p n ARG 14 Cb 0.00 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.46 29.04 2i2p n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2i2p s PRO 15 N -2.05 4.31 -0.42 5.56 0.04 -1.14 -2.27 135.00 139.04 2i2p s PRO 15 Ca 0.32 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2i2p s PRO 15 Cb 0.03 -2.95 0.14 0.00 0.04 0.00 0.00 34.50 31.75 2i2p s PRO 15 CO -0.04 -0.13 0.24 0.12 0.04 0.00 0.00 177.00 177.22 2i2p s PHE 16 N -1.25 1.69 0.97 0.56 2.19 -1.26 -4.45 117.98 116.43 2i2p s PHE 16 Ca 0.51 -2.25 -0.12 0.00 0.33 0.00 0.00 56.93 55.40 2i2p s PHE 16 Cb -0.34 -1.65 0.17 0.00 -1.31 0.00 0.00 43.02 39.89 2i2p s PHE 16 CO 0.45 -0.79 1.09 0.71 1.83 0.00 0.00 175.22 178.50 2i2p s TYR 17 N 0.49 1.91 -0.27 10.12 1.51 -1.23 -1.43 117.35 128.45 2i2p s TYR 17 Ca 0.18 1.36 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2i2p s TYR 17 Cb -0.23 -3.18 0.13 0.00 -0.11 0.00 0.00 41.96 38.56 2i2p s TYR 17 CO -0.00 -2.88 0.27 -1.14 -1.11 0.00 0.00 175.55 170.69 2i2p s GLN 18 N -4.75 0.29 0.22 -0.62 2.00 0.11 -3.74 119.66 113.17 2i2p s GLN 18 Ca 0.65 -0.08 -0.30 0.00 -2.00 0.00 0.00 55.36 53.63 2i2p s GLN 18 Cb -0.21 -0.79 -0.09 0.00 0.80 0.00 0.00 33.01 32.72 2i2p s GLN 18 CO 0.59 -0.94 1.38 0.14 -0.50 0.00 0.00 175.29 175.96 2i2p s VAL 19 N 2.34 2.95 -0.02 1.34 -7.23 -1.23 -2.43 120.40 116.12 2i2p s VAL 19 Ca 0.09 0.78 -0.22 0.00 -1.81 0.00 0.00 61.98 60.82 2i2p s VAL 19 Cb -0.14 -3.50 0.04 0.00 0.56 0.00 0.00 36.38 33.34 2i2p s VAL 19 CO -0.29 0.12 0.48 0.54 -0.31 0.00 0.00 175.10 175.63 2i2p s VAL 20 N 0.14 0.03 -0.50 1.32 0.11 -0.71 -2.26 120.40 118.52 2i2p s VAL 20 Ca 0.59 -0.27 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 2i2p s VAL 20 Cb -0.39 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2i2p s VAL 20 CO 0.40 -0.15 0.91 -0.69 -3.33 0.00 0.00 175.10 172.24 2i2p s VAL 21 N -1.39 4.45 0.31 2.04 1.01 -0.61 -2.34 120.40 123.87 2i2p s VAL 21 Ca -0.12 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2i2p s VAL 21 Cb -0.03 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 2i2p s VAL 21 CO 0.06 -0.96 0.21 0.00 0.00 0.00 0.00 175.10 174.42 2i2p n ALA 22 N 7.25 0.59 -1.75 5.51 0.00 -0.09 -0.87 120.51 131.15 2i2p n ALA 22 Ca 0.03 -1.72 -0.32 0.00 0.00 0.00 0.00 53.44 51.44 2i2p n ALA 22 Cb 0.48 1.33 0.00 0.00 0.00 0.00 0.00 19.45 21.27 2i2p n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i2p s ASP 23 N -3.06 6.08 0.03 0.00 -1.08 -1.26 -0.96 116.67 116.41 2i2p s ASP 23 Ca 0.30 1.59 -0.23 0.00 -0.52 0.00 0.00 52.55 53.70 2i2p s ASP 23 Cb 0.01 -2.50 -0.15 0.00 -1.46 0.00 0.00 42.92 38.82 2i2p s ASP 23 CO 0.21 -0.97 1.41 0.77 0.52 0.00 0.00 175.17 177.12 2i2p h SER 24 N 0.15 0.18 -0.08 -0.34 4.64 -1.90 -3.06 113.55 113.14 2i2p h SER 24 Ca -0.45 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 60.49 2i2p h SER 24 Cb 1.20 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2i2p h SER 24 CO 0.60 0.51 0.01 0.54 -0.87 0.00 0.00 176.83 177.61 2i2p n ARG 25 N -4.78 1.45 -2.70 4.77 3.00 -1.26 -4.89 116.66 112.25 2i2p n ARG 25 Ca -0.07 -0.39 -0.31 0.00 -0.01 0.00 0.00 57.85 57.07 2i2p n ARG 25 Cb 0.23 -1.55 -0.04 0.00 0.00 0.00 0.00 32.46 31.11 2i2p n ARG 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2i2p s ASN 26 N -0.01 6.62 1.22 0.55 0.02 -1.16 -5.07 114.94 117.11 2i2p s ASN 26 Ca 0.07 1.36 -0.11 0.00 -1.02 0.00 0.00 52.86 53.16 2i2p s ASN 26 Cb 0.05 -2.42 0.17 0.00 0.02 0.00 0.00 41.25 39.08 2i2p s ASN 26 CO 0.02 -0.45 0.39 0.00 0.02 0.00 0.00 177.10 177.08 2i2p n ALA 27 N -1.27 -2.36 -0.02 0.60 0.00 -1.26 -4.92 120.51 111.28 2i2p n ALA 27 Ca 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 2i2p n ALA 27 Cb 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2i2p n ALA 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2i2p h ARG 28 N 0.00 -0.24 -0.04 0.00 0.11 -1.97 -3.38 114.38 108.87 2i2p h ARG 28 Ca -0.18 0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.74 2i2p h ARG 28 Cb 0.60 0.05 -0.35 0.00 1.11 0.00 0.00 29.97 31.39 2i2p h ARG 28 CO 0.11 -0.16 -0.92 0.09 0.10 0.00 0.00 179.97 179.19 2i2p n ASN 29 N -3.87 0.69 0.00 0.08 3.02 -1.26 -4.71 115.26 109.21 2i2p n ASN 29 Ca -0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 2i2p n ASN 29 Cb 0.17 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2i2p n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i2p n GLY 30 N 0.29 1.29 3.56 7.41 0.00 -1.26 -4.92 105.19 111.56 2i2p n GLY 30 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.47 2i2p n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i2p n ARG 31 N 0.00 0.62 -3.54 1.61 0.63 -1.26 -4.95 116.66 109.77 2i2p n ARG 31 Ca 0.00 0.22 -0.16 0.00 -0.92 0.00 0.00 57.85 56.99 2i2p n ARG 31 Cb 0.00 -1.80 -0.06 0.00 0.45 0.00 0.00 32.46 31.05 2i2p n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2i2p s PHE 32 N 0.39 -0.62 -0.09 -0.14 -0.71 -1.26 -4.62 117.98 110.92 2i2p s PHE 32 Ca 0.88 1.11 -0.01 0.00 -1.04 0.00 0.00 56.93 57.87 2i2p s PHE 32 Cb -1.11 0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 41.10 2i2p s PHE 32 CO 0.52 -0.54 -0.02 0.82 -1.34 0.00 0.00 175.22 174.66 2i2p h ILE 33 N 3.02 0.00 -2.19 -4.49 5.03 -1.37 -3.49 117.51 114.02 2i2p h ILE 33 Ca -0.26 -0.87 -0.03 0.00 -0.12 0.00 0.00 64.86 63.59 2i2p h ILE 33 Cb 1.15 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 34.71 2i2p h ILE 33 CO 0.34 0.00 -0.06 -1.83 -0.68 0.00 0.00 178.15 175.93 2i2p s GLU 34 N -1.57 0.64 -0.26 2.37 4.04 -1.17 -5.02 118.70 117.73 2i2p s GLU 34 Ca -0.02 1.07 -0.29 0.00 0.04 0.00 0.00 54.97 55.77 2i2p s GLU 34 Cb 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 34.13 34.28 2i2p s GLU 34 CO 0.03 -0.14 1.36 0.50 -1.84 0.00 0.00 175.26 175.16 2i2p s ARG 35 N 1.38 3.96 -0.56 -4.83 3.52 -1.26 -1.57 118.95 119.59 2i2p s ARG 35 Ca -0.08 1.41 -0.07 0.00 -0.13 0.00 0.00 55.73 56.85 2i2p s ARG 35 Cb -0.06 -3.89 0.15 0.00 -1.56 0.00 0.00 34.95 29.59 2i2p s ARG 35 CO -0.15 -1.07 0.42 0.54 -0.81 0.00 0.00 175.30 174.23 2i2p s VAL 36 N 4.36 4.18 0.06 7.11 0.11 -0.96 -4.97 120.40 130.29 2i2p s VAL 36 Ca 0.59 -2.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 2i2p s VAL 36 Cb -0.19 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2i2p s VAL 36 CO 0.23 -0.84 0.00 0.61 -3.33 0.00 0.00 175.10 171.77 2i2p n GLY 37 N 4.32 -1.62 0.00 6.54 0.00 -1.25 -4.61 105.19 108.57 2i2p n GLY 37 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2i2p n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2i2p n PHE 38 N -1.75 0.00 -3.15 1.61 1.16 -1.26 -3.56 117.46 110.51 2i2p n PHE 38 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.64 2i2p n PHE 38 Cb 0.13 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.97 2i2p n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2i2p s PHE 39 N 0.33 -0.01 -0.39 2.97 5.36 -1.25 -4.42 117.98 120.57 2i2p s PHE 39 Ca 0.00 0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.91 2i2p s PHE 39 Cb 0.00 0.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.75 2i2p s PHE 39 CO 0.00 -0.01 0.20 1.21 -1.46 0.00 0.00 175.22 175.17 2i2p s ASN 40 N 2.71 5.51 -1.27 6.13 2.47 -1.00 -3.49 114.94 126.00 2i2p s ASN 40 Ca -0.08 -1.40 -0.19 0.00 0.42 0.00 0.00 52.86 51.61 2i2p s ASN 40 Cb -0.06 -1.94 0.03 0.00 -1.45 0.00 0.00 41.25 37.83 2i2p s ASN 40 CO -0.09 -0.46 1.82 -2.65 -3.72 0.00 0.00 177.10 171.99 2i2p n PRO 41 N 4.86 2.78 0.00 0.43 -0.02 -1.26 -4.74 135.00 137.05 2i2p n PRO 41 Ca -0.10 -3.03 0.00 0.00 -2.02 0.00 0.00 63.50 58.35 2i2p n PRO 41 Cb 0.43 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.39 2i2p n PRO 41 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2i2p n ILE 42 N 6.63 0.00 0.00 4.25 2.08 -1.26 -4.95 119.36 126.12 2i2p n ILE 42 Ca 0.48 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.79 2i2p n ILE 42 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 2i2p n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i2p n ALA 43 N -3.00 0.00 -0.81 -1.39 0.00 -1.26 -5.02 120.51 109.02 2i2p n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i2p n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2i2p n SER 44 N 0.00 -1.42 -3.10 0.00 2.88 -1.26 -4.20 113.62 106.52 2i2p n SER 44 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2i2p n SER 44 Cb 0.00 -1.57 0.02 0.00 -0.75 0.00 0.00 64.21 61.91 2i2p n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2i2p n GLU 45 N -1.65 -2.18 -2.65 -1.46 2.13 -1.26 -4.93 120.64 108.63 2i2p n GLU 45 Ca 0.00 1.84 -0.33 0.00 0.66 0.00 0.00 57.16 59.34 2i2p n GLU 45 Cb 0.08 -4.00 -0.01 0.00 0.27 0.00 0.00 31.44 27.78 2i2p n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2i2p n LYS 46 N -0.04 3.90 0.00 5.31 0.00 -1.26 -4.96 118.16 121.11 2i2p n LYS 46 Ca 0.02 -4.59 0.00 0.00 -0.00 0.00 0.00 58.31 53.74 2i2p n LYS 46 Cb 0.50 -2.32 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 2i2p n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2i2p n GLU 47 N -0.26 0.00 0.00 -1.58 -0.58 -1.26 -4.46 120.64 112.50 2i2p n GLU 47 Ca 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2i2p n GLU 47 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2i2p n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2i2p n GLU 48 N 0.00 2.26 0.00 3.49 2.13 -1.26 -5.05 120.64 122.21 2i2p n GLU 48 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2i2p n GLU 48 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2i2p n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i2p n GLY 49 N 3.75 -0.21 2.68 8.31 0.00 -1.26 -4.97 105.19 113.48 2i2p n GLY 49 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2i2p n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2i2p n THR 50 N 0.00 -0.19 0.00 2.61 -1.04 -1.26 -2.37 114.28 112.03 2i2p n THR 50 Ca 0.00 -1.63 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 2i2p n THR 50 Cb 0.00 0.65 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 2i2p n THR 50 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2i2p n ARG 51 N 2.43 1.37 0.00 -2.82 0.00 -1.26 -4.92 116.66 111.45 2i2p n ARG 51 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 2i2p n ARG 51 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2i2p n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2i2p n LEU 52 N 0.00 0.00 -3.51 6.15 -0.00 -1.26 -4.23 117.00 114.14 2i2p n LEU 52 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2i2p n LEU 52 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.49 2i2p n LEU 52 CO 0.00 0.00 0.04 0.47 -0.00 0.00 0.00 177.39 177.90 2i2p n ASP 53 N 0.00 -2.20 -0.31 1.96 9.92 -1.26 -3.89 116.55 120.76 2i2p n ASP 53 Ca 0.00 -0.70 -0.06 0.00 -0.53 0.00 0.00 54.79 53.50 2i2p n ASP 53 Cb 0.00 -4.74 -0.04 0.00 -0.64 0.00 0.00 41.12 35.70 2i2p n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2i2p n LEU 54 N -4.10 -0.71 -0.35 0.64 4.32 -1.26 0.35 117.00 115.88 2i2p n LEU 54 Ca -0.27 1.36 0.28 0.00 -0.02 0.00 0.00 56.01 57.36 2i2p n LEU 54 Cb 0.67 -0.22 0.59 0.00 -1.62 0.00 0.00 43.42 42.83 2i2p n LEU 54 CO 0.63 -1.14 1.24 -2.24 -1.22 0.00 0.00 177.39 174.66 2i2p h ASP 55 N 0.00 0.32 0.11 -1.43 3.04 -2.00 0.34 116.42 116.80 2i2p h ASP 55 Ca 0.17 0.08 -0.17 0.00 -3.24 0.00 0.00 57.03 53.87 2i2p h ASP 55 Cb 0.36 0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 2i2p h ASP 55 CO -0.74 0.02 -0.62 -0.09 -2.04 0.00 0.00 179.24 175.77 2i2p h ARG 56 N 0.25 0.50 -0.07 4.15 2.43 -0.44 -3.17 114.38 118.03 2i2p h ARG 56 Ca 0.64 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2i2p h ARG 56 Cb 1.89 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.43 2i2p h ARG 56 CO -0.26 0.96 -0.54 0.82 -1.51 0.00 0.00 179.97 179.44 2i2p h ILE 57 N 0.37 0.00 -0.93 1.20 1.08 -0.09 -1.46 117.51 117.69 2i2p h ILE 57 Ca -0.01 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 2i2p h ILE 57 Cb 1.17 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 2i2p h ILE 57 CO 0.11 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 178.16 2i2p h ALA 58 N -0.35 1.68 -1.44 1.87 0.00 -1.60 -2.09 119.26 117.32 2i2p h ALA 58 Ca 0.02 0.01 0.42 0.00 0.00 0.00 0.00 54.91 55.37 2i2p h ALA 58 Cb 0.70 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2i2p h ALA 58 CO -0.40 0.09 1.02 1.25 0.00 0.00 0.00 179.25 181.22 2i2p h HIS 59 N 0.84 0.11 0.00 0.00 -0.00 -1.23 -2.64 115.15 112.24 2i2p h HIS 59 Ca 0.45 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 60.52 2i2p h HIS 59 Cb 0.56 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.89 2i2p h HIS 59 CO -0.00 -0.02 -2.13 0.91 -0.00 0.00 0.00 177.93 176.69 2i2p n TRP 60 N -4.20 0.00 0.14 5.26 7.02 -0.81 -4.46 117.44 120.39 2i2p n TRP 60 Ca 0.33 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.98 2i2p n TRP 60 Cb 1.49 -0.75 0.54 0.00 -2.42 0.00 0.00 31.31 30.17 2i2p n TRP 60 CO 0.00 0.00 0.00 -0.39 -2.02 0.00 0.00 177.69 175.28 2i2p h VAL 61 N -0.18 0.11 -0.91 -0.99 -1.51 -1.17 0.25 116.25 111.85 2i2p h VAL 61 Ca -0.46 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.21 2i2p h VAL 61 Cb 1.63 0.37 -0.07 0.00 -2.13 0.00 0.00 31.29 31.09 2i2p h VAL 61 CO -0.13 0.00 0.60 1.23 -1.23 0.00 0.00 177.57 178.04 2i2p h GLY 62 N 0.00 0.93 0.00 5.19 0.00 -1.72 -3.33 103.07 104.14 2i2p h GLY 62 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2i2p h GLY 62 CO -0.00 -0.01 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 2i2p n GLN 63 N -4.53 0.00 -2.47 4.80 3.00 0.89 -4.99 117.38 114.08 2i2p n GLN 63 Ca 0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.16 2i2p n GLN 63 Cb 0.69 -0.15 0.09 0.00 0.00 0.00 0.00 30.24 30.88 2i2p n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2i2p n GLY 64 N 2.69 1.82 3.55 1.08 0.00 -1.24 -5.07 105.19 108.03 2i2p n GLY 64 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2i2p n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2p s ALA 65 N -0.35 1.68 -0.73 4.61 0.00 -1.25 -4.56 121.76 121.15 2i2p s ALA 65 Ca 0.11 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 2i2p s ALA 65 Cb 0.38 -4.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 2i2p s ALA 65 CO -0.10 -4.56 2.02 0.25 0.00 0.00 0.00 175.76 173.36 2i2p n THR 66 N 7.81 2.12 -1.48 0.00 -2.24 -0.78 -4.69 114.28 115.03 2i2p n THR 66 Ca 0.33 -1.25 -0.54 0.00 -2.27 0.00 0.00 64.05 60.32 2i2p n THR 66 Cb 0.51 -2.03 -0.08 0.00 -2.10 0.00 0.00 70.33 66.62 2i2p n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2p n ILE 67 N 4.09 0.19 -0.27 2.28 3.06 -1.26 -4.48 119.36 122.97 2i2p n ILE 67 Ca 0.38 -0.16 -0.30 0.00 -2.50 0.00 0.00 62.75 60.17 2i2p n ILE 67 Cb 0.16 -1.36 0.28 0.00 0.54 0.00 0.00 39.64 39.27 2i2p n ILE 67 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2i2p n SER 68 N 8.35 -3.91 0.00 9.51 3.41 -1.23 -4.65 113.62 125.09 2i2p n SER 68 Ca 0.40 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 2i2p n SER 68 Cb 0.16 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2i2p n SER 68 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2i2p n ASP 69 N -5.43 0.00 -0.30 4.04 3.85 -1.26 -1.30 116.55 116.15 2i2p n ASP 69 Ca 0.12 0.54 -0.03 0.00 -0.71 0.00 0.00 54.79 54.71 2i2p n ASP 69 Cb 0.58 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 2i2p n ASP 69 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 2i2p n ARG 70 N -0.64 -0.22 -0.16 0.11 3.00 -1.26 0.11 116.66 117.59 2i2p n ARG 70 Ca 0.00 1.18 -0.04 0.00 -0.00 0.00 0.00 57.85 58.99 2i2p n ARG 70 Cb 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 32.46 30.76 2i2p n ARG 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2i2p h VAL 71 N 0.00 0.95 -0.19 5.15 3.04 -1.87 0.50 116.25 123.83 2i2p h VAL 71 Ca 0.23 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.74 2i2p h VAL 71 Cb 0.43 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 2i2p h VAL 71 CO -0.76 0.09 0.02 0.00 -1.01 0.00 0.00 177.57 175.91 2i2p h ALA 72 N 1.27 1.68 -0.07 3.17 0.00 0.21 -0.24 119.26 125.29 2i2p h ALA 72 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2i2p h ALA 72 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2i2p h ALA 72 CO -0.16 0.24 -0.40 0.00 0.00 0.00 0.00 179.25 178.93 2i2p h ALA 73 N 1.76 1.19 -0.51 0.00 0.00 0.19 -2.97 119.26 118.91 2i2p h ALA 73 Ca 0.06 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2i2p h ALA 73 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2i2p h ALA 73 CO 0.00 0.56 0.28 -0.07 0.00 0.00 0.00 179.25 180.02 2i2p h LEU 74 N 0.13 0.42 -0.78 0.00 3.38 0.80 0.41 115.31 119.67 2i2p h LEU 74 Ca 0.01 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2i2p h LEU 74 Cb 0.78 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2i2p h LEU 74 CO 0.06 0.30 0.34 0.40 0.09 0.00 0.00 178.44 179.63 2i2p h ILE 75 N 0.55 0.68 0.15 1.22 2.04 -1.43 -0.01 117.51 120.71 2i2p h ILE 75 Ca 0.22 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2i2p h ILE 75 Cb 0.09 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2i2p h ILE 75 CO -0.13 0.09 -0.07 0.11 0.00 0.00 0.00 178.15 178.15 2i2p h LYS 76 N 0.50 -0.19 -1.22 2.37 1.79 -1.42 -3.22 116.57 115.18 2i2p h LYS 76 Ca 0.43 0.01 0.37 0.00 -2.18 0.00 0.00 60.65 59.28 2i2p h LYS 76 Cb 0.64 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.23 2i2p h LYS 76 CO -0.39 0.18 0.80 0.93 -1.08 0.00 0.00 179.45 179.89 2i2p h GLU 77 N -0.95 0.19 -6.03 3.15 5.08 0.12 -3.39 114.58 112.74 2i2p h GLU 77 Ca -0.02 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.73 2i2p h GLU 77 Cb 0.46 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2i2p h GLU 77 CO 0.03 0.12 -0.52 0.54 -1.00 0.00 0.00 179.01 178.19 2i2p s VAL 78 N -5.33 5.09 -0.79 3.13 0.11 -0.05 -4.97 120.40 117.60 2i2p s VAL 78 Ca -0.08 -0.61 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 2i2p s VAL 78 Cb 0.27 -3.52 -0.19 0.00 -1.53 0.00 0.00 36.38 31.42 2i2p s VAL 78 CO 0.81 0.06 2.05 0.59 -3.33 0.00 0.00 175.10 175.29 2i2p n ASN 79 N 0.09 0.39 0.10 3.54 3.02 -1.26 -4.65 115.26 116.49 2i2p n ASN 79 Ca -0.07 -1.58 -0.04 0.00 -0.03 0.00 0.00 54.58 52.87 2i2p n ASN 79 Cb 0.52 -1.29 0.14 0.00 -0.61 0.00 0.00 39.78 38.54 2i2p n ASN 79 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2i2p h LYS 80 N 11.47 0.15 -0.44 3.52 3.64 -1.78 -2.92 116.57 130.22 2i2p h LYS 80 Ca 0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2i2p h LYS 80 Cb 1.03 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2i2p h LYS 80 CO 1.13 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 179.02 2i2p n ALA 81 N -2.45 2.33 -1.19 5.00 0.00 -1.26 -5.12 120.51 117.81 2i2p n ALA 81 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2i2p n ALA 81 Cb 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2i2p n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50