#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4p s ARG 2 N 0.00 0.88 -0.10 2.12 1.81 0.11 -4.97 118.95 118.80 2d4p s ARG 2 Ca 0.00 -1.30 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 2d4p s ARG 2 Cb 0.00 -0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.15 2d4p s ARG 2 CO 0.00 0.03 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.50 2d4p s PHE 3 N -3.21 1.43 0.11 -0.53 0.08 -1.26 -1.03 117.98 113.58 2d4p s PHE 3 Ca 0.11 -0.65 -0.08 0.00 0.12 0.00 0.00 56.93 56.42 2d4p s PHE 3 Cb 0.02 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2d4p s PHE 3 CO -0.02 -0.43 0.21 -0.98 -0.10 0.00 0.00 175.22 173.90 2d4p s ARG 4 N 1.39 0.95 0.61 0.44 1.70 -0.02 -4.96 118.95 119.06 2d4p s ARG 4 Ca -0.01 -1.05 -0.19 0.00 -0.47 0.00 0.00 55.73 54.01 2d4p s ARG 4 Cb -0.13 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 2d4p s ARG 4 CO -0.05 -0.32 1.26 -2.14 -1.08 0.00 0.00 175.30 172.98 2d4p s PRO 5 N -3.90 2.83 0.23 3.89 0.02 -1.26 0.02 135.00 136.83 2d4p s PRO 5 Ca 0.10 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.15 2d4p s PRO 5 Cb 0.04 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2d4p s PRO 5 CO -0.07 -1.35 0.19 -0.59 -0.33 0.00 0.00 177.00 174.85 2d4p s PHE 6 N -1.48 3.13 0.46 6.54 -0.12 -1.26 -4.75 117.98 120.51 2d4p s PHE 6 Ca 0.79 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 57.61 2d4p s PHE 6 Cb -0.34 -1.44 -0.01 0.00 -0.63 0.00 0.00 43.02 40.60 2d4p s PHE 6 CO 0.37 0.52 0.10 0.95 -0.05 0.00 0.00 175.22 177.11 2d4p s THR 7 N -2.03 0.67 0.55 -4.49 -4.23 -1.26 -4.78 115.64 100.07 2d4p s THR 7 Ca 0.32 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.05 2d4p s THR 7 Cb -0.08 -2.18 0.30 0.00 1.34 0.00 0.00 72.50 71.88 2d4p s THR 7 CO 0.25 0.00 2.19 -0.33 -0.54 0.00 0.00 174.62 176.19 2d4p h GLU 8 N 1.56 0.00 0.00 3.99 5.08 -1.98 0.06 114.58 123.28 2d4p h GLU 8 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2d4p h GLU 8 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2d4p h GLU 8 CO 0.60 0.01 0.00 0.93 -1.00 0.00 0.00 179.01 179.55 2d4p h GLU 9 N 0.00 0.00 -0.27 2.33 3.07 -2.04 -2.49 114.58 115.19 2d4p h GLU 9 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2d4p h GLU 9 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2d4p h GLU 9 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 2d4p n ASP 10 N -2.82 2.25 -0.12 1.42 8.00 0.01 -4.55 116.55 120.74 2d4p n ASP 10 Ca -0.01 -1.83 -0.05 0.00 0.71 0.00 0.00 54.79 53.61 2d4p n ASP 10 Cb 0.16 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2d4p n ASP 10 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d4p h LEU 11 N 2.87 -0.32 -0.77 0.64 5.85 -1.57 -0.98 115.31 121.03 2d4p h LEU 11 Ca 0.00 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2d4p h LEU 11 Cb 0.63 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2d4p h LEU 11 CO 0.00 -0.11 0.50 0.44 -0.34 0.00 0.00 178.44 178.92 2d4p h ASP 12 N 0.02 0.83 -0.46 1.25 3.32 -1.86 -1.59 116.42 117.93 2d4p h ASP 12 Ca 0.19 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2d4p h ASP 12 Cb 0.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2d4p h ASP 12 CO -0.38 0.58 0.29 0.03 -1.72 0.00 0.00 179.24 178.04 2d4p h ARG 13 N 0.98 0.58 -0.57 3.56 3.08 -1.73 0.80 114.38 121.08 2d4p h ARG 13 Ca 0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2d4p h ARG 13 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2d4p h ARG 13 CO -0.10 0.38 0.37 -0.07 -1.07 0.00 0.00 179.97 179.49 2d4p h LEU 14 N 0.59 0.65 -0.80 3.04 3.38 -0.85 -2.80 115.31 118.53 2d4p h LEU 14 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2d4p h LEU 14 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2d4p h LEU 14 CO -0.05 0.48 -0.33 0.78 0.09 0.00 0.00 178.44 179.40 2d4p h ASN 15 N 0.77 0.00 0.14 -0.43 2.35 -0.92 -0.65 115.58 116.84 2d4p h ASN 15 Ca 0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2d4p h ASN 15 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2d4p h ASN 15 CO -0.04 0.33 -0.07 0.03 -1.65 0.00 0.00 177.43 176.03 2d4p h ARG 16 N 0.00 0.00 -0.01 0.81 3.08 -0.58 -2.36 114.38 115.33 2d4p h ARG 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2d4p h ARG 16 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2d4p h ARG 16 CO 0.04 0.07 -0.53 1.28 -1.07 0.00 0.00 179.97 179.76 2d4p n LEU 17 N -3.98 1.28 -0.54 3.04 4.77 -0.31 -4.58 117.00 116.67 2d4p n LEU 17 Ca -0.03 -0.44 0.13 0.00 -0.03 0.00 0.00 56.01 55.65 2d4p n LEU 17 Cb 0.16 -0.07 0.40 0.00 -2.33 0.00 0.00 43.42 41.57 2d4p n LEU 17 CO 0.31 0.26 0.76 0.00 -1.33 0.00 0.00 177.39 177.39 2d4p n ALA 18 N -0.75 2.67 -0.84 -1.18 0.00 -0.81 -4.86 120.51 114.74 2d4p n ALA 18 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2d4p n ALA 18 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2d4p n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4p n GLY 19 N 1.25 3.57 1.08 0.00 0.00 -1.26 -1.66 105.19 108.16 2d4p n GLY 19 Ca 0.17 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2d4p n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d4p n LYS 20 N 14.00 2.48 -3.73 1.61 5.02 -1.26 -4.59 118.16 131.69 2d4p n LYS 20 Ca 0.00 -2.01 -0.29 0.00 -2.02 0.00 0.00 58.31 53.99 2d4p n LYS 20 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 2d4p n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d4p s ARG 21 N -1.41 1.43 0.63 1.97 0.52 -0.66 -5.12 118.95 116.30 2d4p s ARG 21 Ca 0.37 -2.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.24 2d4p s ARG 21 Cb 0.21 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 2d4p s ARG 21 CO 0.23 -1.18 1.13 -1.25 0.02 0.00 0.00 175.30 174.25 2d4p s PRO 22 N 0.13 2.90 -0.25 3.54 0.04 -1.26 -4.79 135.00 135.31 2d4p s PRO 22 Ca 0.19 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 2d4p s PRO 22 Cb -0.21 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2d4p s PRO 22 CO -0.02 -1.19 0.23 0.08 0.04 0.00 0.00 177.00 176.14 2d4p s VAL 23 N -2.12 5.30 0.70 -0.36 1.01 -1.26 -5.09 120.40 118.58 2d4p s VAL 23 Ca 0.70 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 2d4p s VAL 23 Cb -0.23 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2d4p s VAL 23 CO 0.37 0.28 1.08 -0.94 0.00 0.00 0.00 175.10 175.90 2d4p s SER 24 N 1.29 5.52 0.28 3.32 1.04 -1.26 -4.90 113.70 118.99 2d4p s SER 24 Ca 0.10 1.26 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 2d4p s SER 24 Cb -0.15 -2.12 0.41 0.00 0.10 0.00 0.00 66.02 64.27 2d4p s SER 24 CO 0.07 -1.31 1.92 0.25 0.98 0.00 0.00 173.24 175.15 2d4p h LEU 25 N -0.63 1.02 -0.59 2.42 5.85 -1.98 0.04 115.31 121.44 2d4p h LEU 25 Ca -0.45 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 2d4p h LEU 25 Cb 1.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2d4p h LEU 25 CO 0.62 0.69 0.33 1.23 -0.34 0.00 0.00 178.44 180.97 2d4p h GLY 26 N 1.18 0.87 0.93 3.75 0.00 -1.99 -0.52 103.07 107.29 2d4p h GLY 26 Ca 0.38 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2d4p h GLY 26 CO -0.12 0.37 0.05 0.00 0.00 0.00 0.00 176.54 176.84 2d4p h ALA 27 N 1.15 0.52 -0.36 3.60 0.00 -1.82 -1.99 119.26 120.37 2d4p h ALA 27 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2d4p h ALA 27 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2d4p h ALA 27 CO -0.03 0.25 0.14 1.25 0.00 0.00 0.00 179.25 180.86 2d4p h LEU 28 N 0.50 0.18 -0.49 0.00 6.46 -0.75 -0.85 115.31 120.35 2d4p h LEU 28 Ca 0.12 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2d4p h LEU 28 Cb 0.39 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2d4p h LEU 28 CO 0.01 0.14 0.30 0.03 -0.62 0.00 0.00 178.44 178.30 2d4p h ARG 29 N 0.31 0.67 0.01 1.25 3.08 -0.97 0.16 114.38 118.89 2d4p h ARG 29 Ca 0.16 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2d4p h ARG 29 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2d4p h ARG 29 CO -0.14 0.49 -0.00 0.35 -1.07 0.00 0.00 179.97 179.59 2d4p h PHE 30 N 0.66 -0.01 -0.06 3.04 3.04 -1.10 -2.58 116.94 119.94 2d4p h PHE 30 Ca 0.18 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.03 2d4p h PHE 30 Cb -0.01 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 2d4p h PHE 30 CO -0.03 0.07 -0.43 0.74 -2.02 0.00 0.00 178.31 176.65 2d4p h PHE 31 N -0.09 0.15 -0.28 0.41 0.04 -0.95 -2.28 116.94 113.95 2d4p h PHE 31 Ca -0.00 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2d4p h PHE 31 Cb 0.09 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2d4p h PHE 31 CO -0.05 0.54 0.11 0.00 -0.60 0.00 0.00 178.31 178.30 2d4p h ALA 32 N 1.46 1.67 0.00 2.45 0.00 -0.57 -2.70 119.26 121.57 2d4p h ALA 32 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2d4p h ALA 32 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2d4p h ALA 32 CO 0.06 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2d4p h ARG 33 N 0.38 0.00 -0.06 0.00 3.08 -1.00 -3.33 114.38 113.46 2d4p h ARG 33 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2d4p h ARG 33 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2d4p h ARG 33 CO -0.01 0.00 -0.38 1.79 -1.07 0.00 0.00 179.97 180.30 2d4p h THR 34 N 0.00 1.29 0.00 2.04 1.35 -1.38 -3.47 112.91 112.75 2d4p h THR 34 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2d4p h THR 34 Cb 0.77 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2d4p h THR 34 CO 0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 2d4p n GLY 35 N -0.33 0.39 0.00 5.82 0.00 -1.25 -4.88 105.19 104.94 2d4p n GLY 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2d4p n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d4p n HIS 36 N -2.73 0.00 -4.81 1.61 8.25 -1.26 -4.85 115.22 111.43 2d4p n HIS 36 Ca 0.00 -0.14 -0.32 0.00 -0.26 0.00 0.00 57.72 57.00 2d4p n HIS 36 Cb 0.12 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 2d4p n HIS 36 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2d4p s SER 37 N -0.27 4.03 0.04 0.41 0.01 -1.26 -4.22 113.70 112.44 2d4p s SER 37 Ca 0.00 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2d4p s SER 37 Cb 0.00 -0.82 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2d4p s SER 37 CO 0.00 0.32 0.01 -0.36 0.41 0.00 0.00 173.24 173.62 2d4p s PHE 38 N -0.80 0.38 -0.06 2.43 0.40 -0.68 -4.49 117.98 115.16 2d4p s PHE 38 Ca 0.13 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.68 2d4p s PHE 38 Cb -0.11 -0.28 -0.02 0.00 0.51 0.00 0.00 43.02 43.12 2d4p s PHE 38 CO 0.02 -0.34 -0.16 -1.17 0.70 0.00 0.00 175.22 174.27 2d4p s LEU 39 N -2.43 2.61 -0.11 -0.37 2.96 0.10 -0.90 118.68 120.54 2d4p s LEU 39 Ca -0.01 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2d4p s LEU 39 Cb 0.02 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2d4p s LEU 39 CO -0.07 0.30 0.07 0.00 -1.32 0.00 0.00 176.35 175.33 2d4p s ALA 40 N -0.49 3.56 -0.02 5.97 0.00 0.39 -0.84 121.76 130.32 2d4p s ALA 40 Ca 0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2d4p s ALA 40 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.27 2d4p s ALA 40 CO 0.02 0.55 0.06 -1.21 0.00 0.00 0.00 175.76 175.18 2d4p s GLU 41 N -0.80 0.08 -0.36 0.00 2.02 -0.20 -0.42 118.70 119.02 2d4p s GLU 41 Ca 0.13 0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 2d4p s GLU 41 Cb -0.12 0.04 0.08 0.00 0.10 0.00 0.00 34.13 34.23 2d4p s GLU 41 CO 0.03 -0.01 0.12 -2.00 0.02 0.00 0.00 175.26 173.41 2d4p s GLU 42 N 0.01 2.18 7.88 1.61 2.56 0.00 -0.71 118.70 132.23 2d4p s GLU 42 Ca -0.00 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.39 2d4p s GLU 42 Cb -0.01 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.71 2d4p s GLU 42 CO 0.00 -0.87 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 2d4p n GLY 43 N 4.61 3.43 0.20 -1.50 0.00 -1.26 -1.74 105.19 108.93 2d4p n GLY 43 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2d4p n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d4p n GLU 44 N 13.29 2.26 -2.36 1.61 1.02 -1.26 -4.94 120.64 130.26 2d4p n GLU 44 Ca 0.00 -2.17 -0.43 0.00 -0.02 0.00 0.00 57.16 54.55 2d4p n GLU 44 Cb 0.00 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 2d4p n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2d4p s GLU 45 N -2.00 4.20 0.36 3.49 2.56 -0.71 -5.01 118.70 121.58 2d4p s GLU 45 Ca 0.21 1.72 -0.28 0.00 0.00 0.00 0.00 54.97 56.61 2d4p s GLU 45 Cb 0.17 -3.80 -0.10 0.00 2.00 0.00 0.00 34.13 32.39 2d4p s GLU 45 CO 0.04 -0.75 1.36 -2.14 -0.56 0.00 0.00 175.26 173.21 2d4p s PRO 46 N 3.62 4.22 0.00 4.30 0.02 -1.26 -0.82 135.00 145.08 2d4p s PRO 46 Ca 0.58 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.92 2d4p s PRO 46 Cb -0.23 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2d4p s PRO 46 CO 0.17 -0.34 0.00 -1.33 -0.33 0.00 0.00 177.00 175.17 2d4p n MET 47 N 0.60 3.75 0.00 5.54 2.81 0.44 -4.83 117.12 125.43 2d4p n MET 47 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2d4p n MET 47 Cb 0.41 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.45 2d4p n MET 47 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2d4p n GLY 48 N 0.92 0.60 3.33 3.03 0.00 -1.10 -1.20 105.19 110.78 2d4p n GLY 48 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2d4p n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d4p s PHE 49 N -2.00 -0.26 -0.07 1.61 -0.12 -0.15 -0.46 117.98 116.53 2d4p s PHE 49 Ca 0.00 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 2d4p s PHE 49 Cb 0.00 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.69 2d4p s PHE 49 CO 0.00 -0.67 -0.08 0.00 -0.05 0.00 0.00 175.22 174.42 2d4p s ALA 50 N -3.34 1.06 -0.32 1.99 0.00 -0.08 -1.11 121.76 119.97 2d4p s ALA 50 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2d4p s ALA 50 Cb 0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2d4p s ALA 50 CO -0.09 -0.09 0.15 -0.51 0.00 0.00 0.00 175.76 175.22 2d4p s LEU 51 N 1.08 4.15 0.04 0.00 1.43 0.84 -1.68 118.68 124.54 2d4p s LEU 51 Ca -0.08 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2d4p s LEU 51 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2d4p s LEU 51 CO -0.01 -0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.34 2d4p s ALA 52 N 1.60 0.30 0.04 4.21 0.00 -1.26 -0.69 121.76 125.97 2d4p s ALA 52 Ca 0.04 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 2d4p s ALA 52 Cb -0.17 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.22 2d4p s ALA 52 CO 0.06 -0.28 0.52 1.14 0.00 0.00 0.00 175.76 177.20 2d4p s GLN 53 N -2.82 1.03 0.04 0.00 -2.07 -0.53 -4.28 119.66 111.03 2d4p s GLN 53 Ca -0.03 -0.22 -0.26 0.00 -1.82 0.00 0.00 55.36 53.03 2d4p s GLN 53 Cb -0.00 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 2d4p s GLN 53 CO -0.06 -0.37 0.82 0.00 -1.32 0.00 0.00 175.29 174.36 2d4p s ALA 54 N -2.39 3.32 -0.18 2.60 0.00 -1.26 -0.83 121.76 123.02 2d4p s ALA 54 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2d4p s ALA 54 Cb -0.01 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.07 2d4p s ALA 54 CO -0.01 0.00 -0.09 0.08 0.00 0.00 0.00 175.76 175.73 2d4p s VAL 55 N 0.15 1.46 0.11 0.00 1.01 0.94 -4.97 120.40 119.09 2d4p s VAL 55 Ca 0.41 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 2d4p s VAL 55 Cb -0.21 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 2d4p s VAL 55 CO 0.24 0.22 1.28 0.86 0.00 0.00 0.00 175.10 177.70 2d4p s TRP 56 N 1.49 3.35 -2.14 5.22 -0.00 -1.26 -1.20 118.94 124.40 2d4p s TRP 56 Ca 0.01 1.18 0.26 0.00 -0.00 0.00 0.00 56.10 57.54 2d4p s TRP 56 Cb -0.15 -3.54 0.61 0.00 -0.00 0.00 0.00 33.47 30.40 2d4p s TRP 56 CO -0.08 -1.74 1.48 1.04 -0.00 0.00 0.00 176.95 177.65 2d4p n GLN 57 N 3.67 1.30 0.00 5.86 1.13 0.44 -4.94 117.38 124.84 2d4p n GLN 57 Ca 0.09 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.27 2d4p n GLN 57 Cb 0.44 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2d4p n GLN 57 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2d4p n GLY 58 N 1.32 0.88 2.21 1.08 0.00 -1.26 -4.80 105.19 104.61 2d4p n GLY 58 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2d4p n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d4p n GLU 59 N -1.13 0.00 -2.22 1.61 2.13 -1.26 -5.12 120.64 114.65 2d4p n GLU 59 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2d4p n GLU 59 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 2d4p n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d4p s ALA 60 N -1.86 3.16 0.04 4.31 0.00 -1.26 -5.10 121.76 121.04 2d4p s ALA 60 Ca 0.00 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.21 2d4p s ALA 60 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2d4p s ALA 60 CO 0.00 -1.20 -0.26 0.99 0.00 0.00 0.00 175.76 175.29 2d4p s THR 61 N -3.21 2.09 -0.02 0.00 2.01 -1.26 -0.42 115.64 114.82 2d4p s THR 61 Ca 0.59 -1.36 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2d4p s THR 61 Cb -0.11 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2d4p s THR 61 CO 0.45 0.35 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.70 2d4p s THR 62 N -0.80 3.08 -0.31 -0.82 2.01 -0.34 -1.70 115.64 116.76 2d4p s THR 62 Ca 0.11 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 2d4p s THR 62 Cb -0.10 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2d4p s THR 62 CO 0.02 0.52 0.36 -0.69 -0.69 0.00 0.00 174.62 174.14 2d4p s VAL 63 N -0.80 5.17 -0.22 3.82 1.01 -0.36 -0.04 120.40 128.98 2d4p s VAL 63 Ca 0.13 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 2d4p s VAL 63 Cb -0.11 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2d4p s VAL 63 CO 0.02 0.01 0.23 -0.22 0.00 0.00 0.00 175.10 175.14 2d4p s LEU 64 N 2.04 4.15 -0.62 3.92 2.96 -0.01 -1.07 118.68 130.06 2d4p s LEU 64 Ca 0.13 0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 54.08 2d4p s LEU 64 Cb -0.16 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 44.35 2d4p s LEU 64 CO 0.11 0.05 0.97 -0.69 -1.32 0.00 0.00 176.35 175.47 2d4p s VAL 65 N 0.95 4.32 0.20 1.68 1.01 0.08 -1.46 120.40 127.18 2d4p s VAL 65 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2d4p s VAL 65 Cb -0.13 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.64 2d4p s VAL 65 CO 0.04 -1.34 1.61 0.74 0.00 0.00 0.00 175.10 176.15 2d4p h THR 66 N 5.99 1.27 -2.57 3.92 2.02 -1.22 -3.39 112.91 118.94 2d4p h THR 66 Ca -0.28 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.45 2d4p h THR 66 Cb 1.07 1.20 -0.24 0.00 -1.74 0.00 0.00 68.15 68.44 2d4p h THR 66 CO 1.15 0.45 -0.16 -0.60 0.37 0.00 0.00 175.52 176.73 2d4p s ARG 67 N -4.61 0.55 -0.01 6.66 3.52 -0.95 -4.97 118.95 119.13 2d4p s ARG 67 Ca -0.10 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2d4p s ARG 67 Cb 0.13 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 2d4p s ARG 67 CO 0.84 -0.08 0.00 -1.50 -0.81 0.00 0.00 175.30 173.76 2d4p s ILE 68 N 0.40 0.07 0.03 4.11 2.07 -1.26 -0.11 121.20 126.50 2d4p s ILE 68 Ca -0.01 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 2d4p s ILE 68 Cb -0.04 -0.12 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 2d4p s ILE 68 CO -0.01 0.06 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.36 2d4p s GLU 69 N 0.46 0.78 -0.21 3.50 0.41 -0.27 -5.00 118.70 118.38 2d4p s GLU 69 Ca -0.04 -0.64 -0.28 0.00 -0.41 0.00 0.00 54.97 53.60 2d4p s GLU 69 Cb -0.06 -0.74 0.13 0.00 -1.78 0.00 0.00 34.13 31.67 2d4p s GLU 69 CO -0.01 0.18 1.02 0.20 -0.49 0.00 0.00 175.26 176.16 2d4p s GLY 70 N -0.98 -0.21 0.00 -1.39 0.00 -1.26 -0.97 107.32 102.50 2d4p s GLY 70 Ca -0.00 2.32 0.27 0.00 0.00 0.00 0.00 44.72 47.30 2d4p s GLY 70 CO 0.01 1.37 1.62 0.54 0.00 0.00 0.00 173.10 176.64 2d4p n ARG 71 N 1.35 0.49 -3.54 2.90 1.74 -0.34 -4.90 116.66 114.36 2d4p n ARG 71 Ca -0.11 -0.25 -0.11 0.00 -0.77 0.00 0.00 57.85 56.61 2d4p n ARG 71 Cb 0.57 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2d4p n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2d4p s SER 72 N -2.68 -0.39 0.24 0.55 1.04 -1.26 -5.02 113.70 106.19 2d4p s SER 72 Ca 0.21 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.41 2d4p s SER 72 Cb 0.19 0.53 0.42 0.00 0.10 0.00 0.00 66.02 67.26 2d4p s SER 72 CO 0.56 -0.91 1.78 0.58 0.98 0.00 0.00 173.24 176.23 2d4p h VAL 73 N 2.20 0.81 -0.42 5.02 2.07 -1.90 -1.83 116.25 122.19 2d4p h VAL 73 Ca -0.34 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2d4p h VAL 73 Cb 1.28 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2d4p h VAL 73 CO 0.43 0.12 0.15 -0.08 0.02 0.00 0.00 177.57 178.20 2d4p h GLU 74 N 0.64 0.31 -0.39 1.57 4.81 -1.96 0.20 114.58 119.75 2d4p h GLU 74 Ca 0.40 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2d4p h GLU 74 Cb 0.48 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2d4p h GLU 74 CO -0.30 0.20 0.19 0.00 -0.73 0.00 0.00 179.01 178.37 2d4p h ALA 75 N 1.27 0.50 -0.45 2.92 0.00 -1.78 -2.13 119.26 119.60 2d4p h ALA 75 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2d4p h ALA 75 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2d4p h ALA 75 CO -0.20 0.06 0.17 -0.07 0.00 0.00 0.00 179.25 179.21 2d4p h LEU 76 N 0.49 0.63 -0.53 0.00 3.38 -0.79 -1.40 115.31 117.09 2d4p h LEU 76 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2d4p h LEU 76 Cb 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2d4p h LEU 76 CO -0.02 0.64 0.35 0.03 0.09 0.00 0.00 178.44 179.54 2d4p h ARG 77 N 0.58 0.70 -0.29 1.13 3.08 -0.53 -1.49 114.38 117.56 2d4p h ARG 77 Ca 0.15 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2d4p h ARG 77 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2d4p h ARG 77 CO -0.01 0.47 -0.33 0.78 -1.07 0.00 0.00 179.97 179.81 2d4p h GLY 78 N 0.73 0.68 0.96 0.04 0.00 -1.16 -0.37 103.07 103.94 2d4p h GLY 78 Ca 0.20 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2d4p h GLY 78 CO -0.04 0.57 0.19 1.41 0.00 0.00 0.00 176.54 178.66 2d4p h LEU 79 N 0.53 0.58 -0.81 3.11 3.38 -1.11 -0.67 115.31 120.32 2d4p h LEU 79 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2d4p h LEU 79 Cb 0.82 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2d4p h LEU 79 CO 0.07 0.57 0.48 -0.07 0.09 0.00 0.00 178.44 179.58 2d4p h LEU 80 N 0.55 0.98 -0.85 1.67 3.38 -0.90 0.01 115.31 120.14 2d4p h LEU 80 Ca 0.15 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2d4p h LEU 80 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2d4p h LEU 80 CO -0.02 0.76 0.30 0.03 0.09 0.00 0.00 178.44 179.60 2d4p h ARG 81 N 1.11 1.14 -0.38 1.13 3.08 -0.84 0.05 114.38 119.67 2d4p h ARG 81 Ca 0.29 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2d4p h ARG 81 Cb -0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2d4p h ARG 81 CO -0.05 0.93 -0.22 0.00 -1.07 0.00 0.00 179.97 179.56 2d4p h ALA 82 N 1.21 0.54 -0.24 0.04 0.00 -0.52 0.52 119.26 120.82 2d4p h ALA 82 Ca 0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2d4p h ALA 82 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2d4p h ALA 82 CO -0.02 0.52 0.13 0.28 0.00 0.00 0.00 179.25 180.16 2d4p h VAL 83 N 0.63 1.11 -0.11 0.00 2.07 -0.68 -1.79 116.25 117.48 2d4p h VAL 83 Ca 0.08 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2d4p h VAL 83 Cb 0.78 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2d4p h VAL 83 CO 0.06 0.11 0.07 0.58 0.02 0.00 0.00 177.57 178.42 2d4p h VAL 84 N 0.27 1.04 -0.58 2.57 2.07 -0.81 -0.96 116.25 119.84 2d4p h VAL 84 Ca 0.08 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2d4p h VAL 84 Cb 0.06 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2d4p h VAL 84 CO -0.01 0.03 0.24 0.50 0.02 0.00 0.00 177.57 178.35 2d4p h LYS 85 N 0.15 0.42 -0.07 1.57 3.64 -0.80 0.64 116.57 122.11 2d4p h LYS 85 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2d4p h LYS 85 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2d4p h LYS 85 CO -0.01 0.28 -0.13 0.66 -2.27 0.00 0.00 179.45 177.98 2d4p h SER 86 N 0.43 0.09 -0.04 4.20 4.64 -0.80 -0.13 113.55 121.94 2d4p h SER 86 Ca 0.29 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 2d4p h SER 86 Cb 0.32 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2d4p h SER 86 CO -0.27 0.24 -0.20 0.00 -0.87 0.00 0.00 176.83 175.72 2d4p h ALA 87 N 1.78 0.08 -0.54 5.18 0.00 -0.30 -2.45 119.26 123.01 2d4p h ALA 87 Ca 0.02 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.60 2d4p h ALA 87 Cb 0.29 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2d4p h ALA 87 CO 0.02 0.06 0.19 1.88 0.00 0.00 0.00 179.25 181.40 2d4p h TYR 88 N -0.37 0.34 -0.02 0.00 0.05 -0.55 -0.45 116.97 115.96 2d4p h TYR 88 Ca -0.01 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2d4p h TYR 88 Cb 0.87 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 2d4p h TYR 88 CO 0.15 0.10 -0.22 -0.44 -1.05 0.00 0.00 178.16 176.70 2d4p h ASP 89 N 0.37 0.04 -0.16 3.88 3.32 -1.04 -1.20 116.42 121.62 2d4p h ASP 89 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2d4p h ASP 89 Cb 0.29 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2d4p h ASP 89 CO -0.27 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 2d4p n ALA 90 N -2.49 2.52 -2.17 3.45 0.00 -0.81 -4.93 120.51 116.07 2d4p n ALA 90 Ca -0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 2d4p n ALA 90 Cb 0.28 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2d4p n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4p n GLY 91 N 1.06 0.02 3.75 0.00 0.00 -0.45 -4.99 105.19 104.57 2d4p n GLY 91 Ca 0.15 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2d4p n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d4p s VAL 92 N -2.79 3.86 0.09 1.61 1.01 -0.24 -4.83 120.40 119.11 2d4p s VAL 92 Ca 0.00 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 2d4p s VAL 92 Cb 0.00 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.06 2d4p s VAL 92 CO 0.00 0.39 1.26 0.22 0.00 0.00 0.00 175.10 176.97 2d4p h TYR 93 N 4.35 1.06 -3.48 5.22 3.20 -1.65 -3.42 116.97 122.25 2d4p h TYR 93 Ca -0.45 -0.51 -0.05 0.00 3.14 0.00 0.00 58.73 60.86 2d4p h TYR 93 Cb 1.21 -0.15 -0.12 0.00 1.54 0.00 0.00 36.73 39.21 2d4p h TYR 93 CO 0.61 1.34 -0.10 -1.83 -1.64 0.00 0.00 178.16 176.54 2d4p s GLU 94 N -3.58 1.17 -0.06 1.82 -1.05 -1.24 -5.07 118.70 110.69 2d4p s GLU 94 Ca -0.10 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 53.92 2d4p s GLU 94 Cb 0.08 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 2d4p s GLU 94 CO 0.91 -0.46 -0.23 0.08 0.95 0.00 0.00 175.26 176.51 2d4p s VAL 95 N -3.86 1.91 0.09 1.83 1.01 -1.26 -1.22 120.40 118.91 2d4p s VAL 95 Ca 0.08 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2d4p s VAL 95 Cb 0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2d4p s VAL 95 CO -0.07 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 2d4p s ALA 96 N -0.07 1.09 -0.11 5.51 0.00 -0.23 -4.97 121.76 122.98 2d4p s ALA 96 Ca -0.05 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 2d4p s ALA 96 Cb -0.14 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2d4p s ALA 96 CO 0.04 -0.03 0.35 -1.17 0.00 0.00 0.00 175.76 174.94 2d4p s LEU 97 N -2.39 0.68 -0.47 0.00 0.20 -1.26 -0.74 118.68 114.70 2d4p s LEU 97 Ca 0.05 0.59 -0.19 0.00 0.69 0.00 0.00 54.13 55.26 2d4p s LEU 97 Cb -0.03 1.23 0.04 0.00 -0.43 0.00 0.00 46.19 47.00 2d4p s LEU 97 CO 0.00 -0.19 0.59 -1.00 -0.29 0.00 0.00 176.35 175.46 2d4p s HIS 98 N -0.13 3.08 -0.17 5.38 3.76 -1.26 -5.04 115.29 120.91 2d4p s HIS 98 Ca -0.03 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.34 2d4p s HIS 98 Cb -0.03 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 2d4p s HIS 98 CO 0.01 -0.92 0.36 -1.17 -0.85 0.00 0.00 174.74 172.17 2d4p s LEU 99 N 2.56 4.21 -0.35 0.89 2.96 -1.26 -5.05 118.68 122.64 2d4p s LEU 99 Ca 0.16 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 2d4p s LEU 99 Cb -0.18 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2d4p s LEU 99 CO 0.14 0.02 1.16 -0.62 -1.32 0.00 0.00 176.35 175.72 2d4p s ASP 100 N 0.72 6.79 0.00 3.68 2.15 -1.26 -4.93 116.67 123.82 2d4p s ASP 100 Ca 0.19 0.96 0.14 0.00 0.43 0.00 0.00 52.55 54.27 2d4p s ASP 100 Cb -0.14 -2.54 0.61 0.00 -0.30 0.00 0.00 42.92 40.54 2d4p s ASP 100 CO 0.06 -1.03 1.43 -0.81 -0.17 0.00 0.00 175.17 174.66 2d4p n PRO 101 N 7.22 0.03 0.29 4.34 -0.04 -1.26 -1.62 135.00 143.96 2d4p n PRO 101 Ca 0.13 0.25 0.19 0.00 -0.04 0.00 0.00 63.50 64.02 2d4p n PRO 101 Cb 0.47 -1.50 0.84 0.00 -0.04 0.00 0.00 33.50 33.27 2d4p n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d4p h GLU 102 N 0.00 0.00 -5.54 0.54 5.08 -2.05 -3.40 114.58 109.21 2d4p h GLU 102 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2d4p h GLU 102 Cb 0.22 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.34 2d4p h GLU 102 CO 0.00 0.00 1.35 1.03 -1.00 0.00 0.00 179.01 180.39 2d4p s ARG 103 N -3.79 3.70 0.28 2.33 0.52 -0.64 -4.83 118.95 116.53 2d4p s ARG 103 Ca -0.01 -1.63 0.06 0.00 -0.52 0.00 0.00 55.73 53.63 2d4p s ARG 103 Cb 0.10 -5.20 0.42 0.00 0.52 0.00 0.00 34.95 30.80 2d4p s ARG 103 CO 0.49 -2.01 1.68 0.87 0.02 0.00 0.00 175.30 176.35 2d4p h LYS 104 N 8.86 0.25 -0.37 3.54 1.79 -1.87 -1.74 116.57 127.03 2d4p h LYS 104 Ca 0.23 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2d4p h LYS 104 Cb 0.98 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2d4p h LYS 104 CO 1.30 0.64 0.05 0.93 -1.08 0.00 0.00 179.45 181.29 2d4p h GLU 105 N 0.21 0.63 -0.62 3.15 5.08 -1.97 -0.82 114.58 120.23 2d4p h GLU 105 Ca 0.02 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2d4p h GLU 105 Cb 0.86 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2d4p h GLU 105 CO 0.07 0.70 0.11 1.25 -1.00 0.00 0.00 179.01 180.13 2d4p h LEU 106 N 0.47 0.99 -0.57 1.33 5.85 -1.90 -0.70 115.31 120.77 2d4p h LEU 106 Ca 0.11 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2d4p h LEU 106 Cb 0.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2d4p h LEU 106 CO 0.01 0.99 0.38 -0.08 -0.34 0.00 0.00 178.44 179.40 2d4p h GLU 107 N 0.94 0.74 -0.52 1.25 4.81 -1.18 0.12 114.58 120.74 2d4p h GLU 107 Ca 0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2d4p h GLU 107 Cb 0.42 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2d4p h GLU 107 CO 0.01 0.49 0.34 1.49 -0.73 0.00 0.00 179.01 180.61 2d4p h GLU 108 N 0.77 0.68 -0.56 1.92 4.81 -0.89 -2.15 114.58 119.16 2d4p h GLU 108 Ca 0.21 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2d4p h GLU 108 Cb -0.09 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 2d4p h GLU 108 CO -0.05 0.46 0.02 0.00 -0.73 0.00 0.00 179.01 178.71 2d4p h ALA 109 N 1.18 0.75 -0.27 2.92 0.00 -0.45 -1.97 119.26 121.42 2d4p h ALA 109 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2d4p h ALA 109 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2d4p h ALA 109 CO -0.04 0.56 0.17 -0.07 0.00 0.00 0.00 179.25 179.87 2d4p h LEU 110 N 0.86 0.28 -0.78 0.00 3.38 -0.67 -0.96 115.31 117.42 2d4p h LEU 110 Ca 0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2d4p h LEU 110 Cb 0.52 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2d4p h LEU 110 CO 0.03 0.21 0.37 0.50 0.09 0.00 0.00 178.44 179.63 2d4p h LYS 111 N 0.34 1.12 0.00 1.13 3.64 -1.29 -1.16 116.57 120.35 2d4p h LYS 111 Ca 0.10 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2d4p h LYS 111 Cb -0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2d4p h LYS 111 CO -0.04 0.87 -0.28 0.00 -2.27 0.00 0.00 179.45 177.73 2d4p h ALA 112 N 1.19 1.44 -0.63 5.00 0.00 -0.95 -2.72 119.26 122.59 2d4p h ALA 112 Ca 0.27 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2d4p h ALA 112 Cb 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2d4p h ALA 112 CO -0.03 0.35 0.19 0.39 0.00 0.00 0.00 179.25 180.15 2d4p n GLU 113 N -4.08 3.54 -0.75 0.00 -0.58 -0.40 -4.95 120.64 113.43 2d4p n GLU 113 Ca -0.02 -3.08 0.00 0.00 -0.42 0.00 0.00 57.16 53.64 2d4p n GLU 113 Cb 0.34 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 2d4p n GLU 113 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d4p n GLY 114 N -0.24 0.58 3.82 0.62 0.00 -1.02 -5.02 105.19 103.93 2d4p n GLY 114 Ca 0.37 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2d4p n GLY 114 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d4p s PHE 115 N -2.00 3.62 0.07 1.61 0.40 -0.47 -5.03 117.98 116.18 2d4p s PHE 115 Ca 0.00 1.31 0.02 0.00 -0.60 0.00 0.00 56.93 57.67 2d4p s PHE 115 Cb 0.00 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 2d4p s PHE 115 CO 0.00 0.33 0.09 0.00 0.70 0.00 0.00 175.22 176.34 2d4p s ALA 116 N -1.55 3.61 -1.35 5.36 0.00 -1.26 -4.37 121.76 122.19 2d4p s ALA 116 Ca 0.43 -0.99 0.18 0.00 0.00 0.00 0.00 51.96 51.59 2d4p s ALA 116 Cb -0.16 -1.48 0.60 0.00 0.00 0.00 0.00 23.12 22.08 2d4p s ALA 116 CO 0.20 0.75 1.51 1.28 0.00 0.00 0.00 175.76 179.51 2d4p n LEU 117 N 0.50 4.06 -3.84 0.00 4.77 -1.26 -4.98 117.00 116.25 2d4p n LEU 117 Ca -0.09 -2.22 -0.04 0.00 -0.03 0.00 0.00 56.01 53.63 2d4p n LEU 117 Cb 0.52 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2d4p n LEU 117 CO 0.44 0.86 0.75 -0.83 -1.33 0.00 0.00 177.39 177.28 2d4p s GLY 118 N -1.02 0.05 0.21 -0.72 0.00 -1.26 -4.77 107.32 99.80 2d4p s GLY 118 Ca 0.44 -0.26 0.25 0.00 0.00 0.00 0.00 44.72 45.15 2d4p s GLY 118 CO 0.25 1.36 1.52 -0.56 0.00 0.00 0.00 173.10 175.67 2d4p h PRO 119 N 2.00 0.00 -6.96 2.90 0.13 -2.06 -3.51 132.00 124.50 2d4p h PRO 119 Ca -0.27 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.31 2d4p h PRO 119 Cb 1.23 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.48 2d4p h PRO 119 CO 0.34 0.00 0.65 1.28 -0.23 0.00 0.00 178.00 180.04 2d4p n LEU 120 N -2.35 4.97 -4.37 1.56 4.32 -1.26 -5.01 117.00 114.87 2d4p n LEU 120 Ca 0.04 1.10 -0.29 0.00 -0.02 0.00 0.00 56.01 56.84 2d4p n LEU 120 Cb 0.46 -1.58 -0.14 0.00 -1.62 0.00 0.00 43.42 40.54 2d4p n LEU 120 CO 0.34 -0.30 -0.57 -0.69 -1.22 0.00 0.00 177.39 174.95 2d4p s VAL 121 N -1.21 2.18 -0.21 4.08 1.01 -1.26 -5.00 120.40 120.00 2d4p s VAL 121 Ca 0.62 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2d4p s VAL 121 Cb -0.46 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2d4p s VAL 121 CO 0.57 0.17 0.42 -0.22 0.00 0.00 0.00 175.10 176.04 2d4p s LEU 122 N -1.77 4.14 -0.17 3.92 2.96 -1.26 -5.07 118.68 121.43 2d4p s LEU 122 Ca 0.13 0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2d4p s LEU 122 Cb -0.10 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2d4p s LEU 122 CO 0.05 -0.11 -0.01 0.00 -1.32 0.00 0.00 176.35 174.96 2d4p s ALA 123 N 1.43 3.10 -0.02 5.97 0.00 -1.26 -5.11 121.76 125.88 2d4p s ALA 123 Ca 0.20 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2d4p s ALA 123 Cb -0.15 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.31 2d4p s ALA 123 CO 0.08 0.17 -0.06 0.08 0.00 0.00 0.00 175.76 176.03 2d4p s VAL 124 N 0.43 0.56 -0.21 0.00 1.01 -1.26 -5.12 120.40 115.81 2d4p s VAL 124 Ca -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2d4p s VAL 124 Cb -0.14 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.76 2d4p s VAL 124 CO 0.02 0.19 -0.16 -0.60 0.00 0.00 0.00 175.10 174.55 2d4p s ARG 125 N 0.27 2.66 -0.19 2.72 3.52 -1.26 -5.11 118.95 121.57 2d4p s ARG 125 Ca -0.03 -1.03 -0.24 0.00 -0.13 0.00 0.00 55.73 54.29 2d4p s ARG 125 Cb -0.08 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2d4p s ARG 125 CO -0.00 -0.36 0.80 0.08 -0.81 0.00 0.00 175.30 175.01 2d4p s VAL 126 N 1.22 4.89 -0.10 7.11 1.01 -1.26 -4.91 120.40 128.36 2d4p s VAL 126 Ca -0.01 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 2d4p s VAL 126 Cb -0.16 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 2d4p s VAL 126 CO -0.10 0.02 0.45 0.18 0.00 0.00 0.00 175.10 175.65 2d4p n LEU 127 N 5.33 2.25 0.00 3.92 4.77 -1.26 -5.10 117.00 126.91 2d4p n LEU 127 Ca 0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2d4p n LEU 127 Cb 0.49 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2d4p n LEU 127 CO 0.47 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 2d4p n GLY 128 N 1.89 0.57 3.94 -0.72 0.00 -1.26 -5.03 105.19 104.58 2d4p n GLY 128 Ca -0.28 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.35 2d4p n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d4p s SER 129 N 0.00 6.36 0.00 1.61 0.01 -1.26 -5.31 113.70 115.11 2d4p s SER 129 Ca 0.00 0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.63 2d4p s SER 129 Cb 0.00 -1.97 0.41 0.00 0.21 0.00 0.00 66.02 64.68 2d4p s SER 129 CO 0.00 -0.03 0.87 0.54 0.41 0.00 0.00 173.24 175.03