#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm s SER 2 N 0.00 4.89 0.03 1.61 0.01 -1.26 -5.04 113.70 113.94 2dmm s SER 2 Ca 0.00 -2.99 -0.29 0.00 1.31 0.00 0.00 55.95 53.98 2dmm s SER 2 Cb 0.00 -1.77 0.10 0.00 0.21 0.00 0.00 66.02 64.56 2dmm s SER 2 CO 0.00 -0.30 1.12 -0.94 0.41 0.00 0.00 173.24 173.54 2dmm s SER 3 N 0.19 -0.14 0.00 2.44 1.04 -1.26 -5.16 113.70 110.81 2dmm s SER 3 Ca 0.18 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dmm s SER 3 Cb -0.22 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2dmm s SER 3 CO -0.03 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2dmm n GLY 4 N -0.42 3.23 3.25 7.32 0.00 -1.26 -5.07 105.19 112.24 2dmm n GLY 4 Ca -0.07 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2dmm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm s SER 5 N 0.00 6.07 0.21 1.61 0.01 -1.26 -4.94 113.70 115.40 2dmm s SER 5 Ca 0.00 -2.33 -0.13 0.00 1.31 0.00 0.00 55.95 54.80 2dmm s SER 5 Cb 0.00 -2.09 0.24 0.00 0.21 0.00 0.00 66.02 64.38 2dmm s SER 5 CO 0.00 -0.63 1.63 -1.28 0.41 0.00 0.00 173.24 173.37 2dmm h SER 6 N 8.05 -0.58 0.00 2.44 0.87 -2.09 -3.46 113.55 118.77 2dmm h SER 6 Ca -0.08 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dmm h SER 6 Cb 1.04 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2dmm h SER 6 CO 0.83 -0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2dmm n GLY 7 N -1.43 0.30 3.64 5.77 0.00 -1.26 -4.94 105.19 107.28 2dmm n GLY 7 Ca 0.08 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 2dmm n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dmm s PHE 8 N 0.00 -0.47 -0.30 1.61 2.19 -1.26 -5.16 117.98 114.59 2dmm s PHE 8 Ca 0.00 1.00 -0.14 0.00 0.33 0.00 0.00 56.93 58.12 2dmm s PHE 8 Cb 0.00 0.33 0.15 0.00 -1.31 0.00 0.00 43.02 42.19 2dmm s PHE 8 CO 0.00 -0.23 0.86 -0.51 1.83 0.00 0.00 175.22 177.17 2dmm s ASP 9 N 0.95 -0.77 -0.34 6.13 1.01 -1.26 -4.90 116.67 117.50 2dmm s ASP 9 Ca -0.05 1.09 0.15 0.00 0.71 0.00 0.00 52.55 54.45 2dmm s ASP 9 Cb -0.04 1.78 0.44 0.00 1.01 0.00 0.00 42.92 46.11 2dmm s ASP 9 CO -0.12 -0.16 1.22 0.61 0.21 0.00 0.00 175.17 176.93 2dmm n GLY 10 N 4.91 1.62 4.10 0.21 0.00 -1.26 -5.00 105.19 109.77 2dmm n GLY 10 Ca -0.12 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2dmm n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmm n ASN 11 N -0.62 -0.80 -4.55 1.61 2.85 -1.26 -4.74 115.26 107.74 2dmm n ASN 11 Ca -0.00 -1.17 -0.28 0.00 -0.11 0.00 0.00 54.58 53.02 2dmm n ASN 11 Cb 0.84 -2.26 -0.05 0.00 1.24 0.00 0.00 39.78 39.55 2dmm n ASN 11 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2dmm s LEU 12 N -7.18 3.18 0.20 1.20 2.34 -1.26 -4.86 118.68 112.30 2dmm s LEU 12 Ca 0.12 0.28 -0.22 0.00 0.06 0.00 0.00 54.13 54.36 2dmm s LEU 12 Cb -0.06 -2.53 0.05 0.00 -0.56 0.00 0.00 46.19 43.09 2dmm s LEU 12 CO 0.95 -3.04 0.64 -1.59 -1.06 0.00 0.00 176.35 172.25 2dmm s LYS 13 N 7.94 1.44 -0.28 1.48 0.00 -1.26 -4.27 119.74 124.80 2dmm s LYS 13 Ca 0.84 -0.64 -0.24 0.00 0.00 0.00 0.00 55.97 55.94 2dmm s LYS 13 Cb -0.13 0.59 0.10 0.00 0.00 0.00 0.00 37.83 38.39 2dmm s LYS 13 CO 0.14 -0.64 0.85 0.50 0.00 0.00 0.00 175.35 176.20 2dmm s ARG 14 N -3.80 0.67 -0.00 1.78 6.06 -1.26 -4.86 118.95 117.53 2dmm s ARG 14 Ca 0.04 0.85 -0.26 0.00 -2.50 0.00 0.00 55.73 53.87 2dmm s ARG 14 Cb -0.03 0.30 0.06 0.00 0.06 0.00 0.00 34.95 35.34 2dmm s ARG 14 CO -0.06 -0.09 0.58 1.52 -2.50 0.00 0.00 175.30 174.75 2dmm s TYR 15 N 0.51 -0.53 -0.13 5.12 1.13 -1.26 -3.76 117.35 118.43 2dmm s TYR 15 Ca -0.00 0.79 0.05 0.00 -1.41 0.00 0.00 57.07 56.50 2dmm s TYR 15 Cb -0.05 0.36 -0.12 0.00 -1.10 0.00 0.00 41.96 41.06 2dmm s TYR 15 CO -0.05 -0.61 -0.05 1.47 -2.51 0.00 0.00 175.55 173.80 2dmm n LEU 16 N 0.73 1.62 -4.67 -3.49 -0.00 -1.26 -5.02 117.00 104.92 2dmm n LEU 16 Ca -0.19 -0.04 -0.27 0.00 -0.00 0.00 0.00 56.01 55.51 2dmm n LEU 16 Cb 0.58 -0.15 -0.08 0.00 -0.00 0.00 0.00 43.42 43.77 2dmm n LEU 16 CO 0.22 0.54 -0.33 -0.75 -0.00 0.00 0.00 177.39 177.06 2dmm s LYS 17 N -2.29 2.42 -0.18 1.47 2.20 -1.26 -4.98 119.74 117.12 2dmm s LYS 17 Ca -0.13 -1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 54.12 2dmm s LYS 17 Cb 0.04 -2.38 0.07 0.00 -1.51 0.00 0.00 37.83 34.06 2dmm s LYS 17 CO 0.40 0.46 0.70 -1.12 -0.36 0.00 0.00 175.35 175.43 2dmm s SER 18 N -2.89 -0.70 0.46 1.43 0.01 -1.26 -2.24 113.70 108.50 2dmm s SER 18 Ca 0.27 1.15 -0.03 0.00 1.31 0.00 0.00 55.95 58.65 2dmm s SER 18 Cb -0.09 1.09 -0.02 0.00 0.21 0.00 0.00 66.02 67.20 2dmm s SER 18 CO 0.19 -0.39 0.72 -1.61 0.41 0.00 0.00 173.24 172.56 2dmm s GLU 19 N -0.24 3.34 0.35 12.44 0.41 -1.26 -4.93 118.70 128.81 2dmm s GLU 19 Ca -0.04 -0.09 -0.28 0.00 -0.41 0.00 0.00 54.97 54.15 2dmm s GLU 19 Cb -0.03 -2.46 -0.09 0.00 -1.78 0.00 0.00 34.13 29.76 2dmm s GLU 19 CO 0.04 -0.21 1.21 -1.25 -0.49 0.00 0.00 175.26 174.57 2dmm s PRO 20 N -4.64 4.30 0.15 0.39 0.04 -1.26 -4.53 135.00 129.45 2dmm s PRO 20 Ca 0.47 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 2dmm s PRO 20 Cb -0.10 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 2dmm s PRO 20 CO 0.41 -0.15 1.33 0.42 0.04 0.00 0.00 177.00 179.05 2dmm s ILE 21 N -1.24 3.34 0.36 0.56 -1.09 -1.26 -4.99 121.20 116.87 2dmm s ILE 21 Ca 0.51 1.02 -0.27 0.00 -2.23 0.00 0.00 60.65 59.68 2dmm s ILE 21 Cb -0.35 -3.65 -0.09 0.00 -1.58 0.00 0.00 42.46 36.78 2dmm s ILE 21 CO 0.45 0.12 1.21 -2.16 -1.23 0.00 0.00 174.94 173.33 2dmm s PRO 22 N 0.50 4.24 0.43 2.79 0.04 -1.26 -4.93 135.00 136.81 2dmm s PRO 22 Ca 0.60 1.97 0.10 0.00 0.04 0.00 0.00 61.00 63.71 2dmm s PRO 22 Cb -0.36 -2.89 0.95 0.00 0.04 0.00 0.00 34.50 32.24 2dmm s PRO 22 CO 0.34 -0.20 2.04 1.05 0.04 0.00 0.00 177.00 180.27 2dmm h GLU 23 N 3.07 0.30 -1.68 4.56 4.11 -2.03 -3.43 114.58 119.48 2dmm h GLU 23 Ca -0.48 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 58.98 2dmm h GLU 23 Cb 1.23 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.17 2dmm h GLU 23 CO 0.64 0.27 0.32 0.45 0.07 0.00 0.00 179.01 180.75 2dmm s SER 24 N -6.85 -0.59 -0.71 3.06 0.15 -1.26 -5.07 113.70 102.43 2dmm s SER 24 Ca -0.07 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.62 2dmm s SER 24 Cb 0.17 1.16 0.36 0.00 -1.71 0.00 0.00 66.02 66.00 2dmm s SER 24 CO 0.72 -0.17 1.45 0.59 1.20 0.00 0.00 173.24 177.03 2dmm n ASN 25 N 3.27 5.93 -3.10 5.45 3.02 -1.26 -4.89 115.26 123.67 2dmm n ASN 25 Ca -0.17 -3.73 -0.34 0.00 -0.03 0.00 0.00 54.58 50.31 2dmm n ASN 25 Cb 0.57 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dmm n ASP 26 N -0.34 8.08 -1.12 6.41 -0.08 -1.26 -4.82 116.55 123.41 2dmm n ASP 26 Ca 0.42 -2.64 0.00 0.00 -1.51 0.00 0.00 54.79 51.07 2dmm n ASP 26 Cb 0.40 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.35 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dmm n GLY 27 N 3.13 4.37 0.08 0.27 0.00 -1.26 -5.08 105.19 106.70 2dmm n GLY 27 Ca 0.71 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 2dmm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 28 N 0.00 0.11 -5.23 1.61 0.13 -1.89 -3.44 132.00 123.30 2dmm h PRO 28 Ca 0.00 -0.06 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 2dmm h PRO 28 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2dmm h PRO 28 CO 0.00 0.57 -0.68 0.08 -0.23 0.00 0.00 178.00 177.73 2dmm s VAL 29 N -4.27 3.75 0.18 1.56 1.01 -1.26 -3.70 120.40 117.67 2dmm s VAL 29 Ca -0.15 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2dmm s VAL 29 Cb 0.03 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 2dmm s VAL 29 CO 0.70 0.47 1.19 -0.54 0.00 0.00 0.00 175.10 176.92 2dmm s LYS 30 N 0.63 4.50 -0.39 2.72 -0.14 -0.78 -4.80 119.74 121.49 2dmm s LYS 30 Ca -0.03 1.85 -0.25 0.00 -1.36 0.00 0.00 55.97 56.18 2dmm s LYS 30 Cb -0.14 -3.25 0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2dmm s LYS 30 CO 0.02 -0.08 0.91 0.08 -0.76 0.00 0.00 175.35 175.52 2dmm s VAL 31 N 0.00 4.57 -0.26 3.17 1.01 -1.26 -0.63 120.40 127.00 2dmm s VAL 31 Ca 0.53 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 2dmm s VAL 31 Cb -0.32 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 2dmm s VAL 31 CO 0.36 -0.60 0.03 -0.69 0.00 0.00 0.00 175.10 174.19 2dmm s VAL 32 N 3.51 3.80 0.13 2.92 1.01 0.80 -4.92 120.40 127.65 2dmm s VAL 32 Ca 0.37 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2dmm s VAL 32 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2dmm s VAL 32 CO 0.20 0.27 -0.02 0.68 0.00 0.00 0.00 175.10 176.23 2dmm s VAL 33 N 1.51 3.74 0.48 2.92 -7.23 -1.26 -4.04 120.40 116.52 2dmm s VAL 33 Ca 0.04 -1.25 0.37 0.00 -1.81 0.00 0.00 61.98 59.34 2dmm s VAL 33 Cb -0.16 -2.82 0.57 0.00 0.56 0.00 0.00 36.38 34.54 2dmm s VAL 33 CO 0.00 0.02 1.60 0.00 -0.31 0.00 0.00 175.10 176.41 2dmm h ALA 34 N 3.15 3.13 -0.30 1.32 0.00 -1.86 1.10 119.26 125.79 2dmm h ALA 34 Ca -0.48 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2dmm h ALA 34 Cb 1.18 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2dmm h ALA 34 CO 0.57 -1.75 0.08 0.93 0.00 0.00 0.00 179.25 179.08 2dmm h GLU 35 N 0.03 0.48 -0.53 0.00 5.08 -1.89 -3.17 114.58 114.58 2dmm h GLU 35 Ca 0.87 -0.11 -0.35 0.00 -1.00 0.00 0.00 59.36 58.77 2dmm h GLU 35 Cb 3.02 -0.06 -0.23 0.00 0.50 0.00 0.00 28.75 31.98 2dmm h GLU 35 CO -0.30 0.55 -0.23 0.27 -1.00 0.00 0.00 179.01 178.30 2dmm n ASN 36 N -4.67 3.86 0.09 1.42 0.23 0.32 -4.74 115.26 111.77 2dmm n ASN 36 Ca -0.02 -3.79 -0.09 0.00 -0.53 0.00 0.00 54.58 50.15 2dmm n ASN 36 Cb 0.18 -0.58 -0.06 0.00 -2.08 0.00 0.00 39.78 37.25 2dmm n ASN 36 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2dmm h PHE 37 N 1.51 -0.28 0.00 -2.53 3.04 0.33 -2.78 116.94 116.22 2dmm h PHE 37 Ca 0.30 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.25 2dmm h PHE 37 Cb 1.45 0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.05 2dmm h PHE 37 CO 1.01 0.03 0.00 -3.47 -2.02 0.00 0.00 178.31 173.86 2dmm n ASP 38 N -4.98 0.00 -0.02 0.41 2.03 -1.26 0.52 116.55 113.26 2dmm n ASP 38 Ca -0.07 0.06 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2dmm n ASP 38 Cb 0.22 -0.24 -0.13 0.00 -0.72 0.00 0.00 41.12 40.25 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2dmm h GLU 39 N 0.00 0.20 0.00 -0.67 4.57 -1.78 -3.32 114.58 113.59 2dmm h GLU 39 Ca 0.00 -0.35 -0.42 0.00 -1.18 0.00 0.00 59.36 57.41 2dmm h GLU 39 Cb 0.08 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 2dmm h GLU 39 CO 0.00 1.17 -2.43 -0.89 -1.18 0.00 0.00 179.01 175.68 2dmm n ILE 40 N -3.78 1.53 0.31 2.32 5.41 -0.99 -4.68 119.36 119.48 2dmm n ILE 40 Ca -0.31 -0.43 -0.12 0.00 1.00 0.00 0.00 62.75 62.88 2dmm n ILE 40 Cb 0.94 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 38.07 2dmm n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dmm h VAL 41 N -0.64 0.00 -2.65 1.39 2.07 -0.15 -3.41 116.25 112.86 2dmm h VAL 41 Ca -0.63 -0.20 -0.57 0.00 0.82 0.00 0.00 66.70 66.12 2dmm h VAL 41 Cb 1.70 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2dmm h VAL 41 CO -0.29 0.00 1.19 0.20 0.02 0.00 0.00 177.57 178.70 2dmm s ASN 42 N -3.93 6.22 -0.30 0.57 0.02 -1.17 -4.82 114.94 111.53 2dmm s ASN 42 Ca -0.12 1.67 -0.13 0.00 -1.02 0.00 0.00 52.86 53.26 2dmm s ASN 42 Cb 0.01 -2.53 0.18 0.00 0.02 0.00 0.00 41.25 38.93 2dmm s ASN 42 CO 0.35 -1.38 1.09 0.54 0.02 0.00 0.00 177.10 177.72 2dmm s ASN 43 N 4.93 -0.35 0.00 -1.22 2.20 -1.26 -4.54 114.94 114.70 2dmm s ASN 43 Ca 0.77 0.14 0.23 0.00 -0.94 0.00 0.00 52.86 53.06 2dmm s ASN 43 Cb -0.27 1.27 1.31 0.00 -2.00 0.00 0.00 41.25 41.57 2dmm s ASN 43 CO 0.31 -0.07 1.86 -0.62 -2.94 0.00 0.00 177.10 175.65 2dmm n GLU 44 N 5.33 1.10 0.02 3.55 4.71 -1.26 -3.55 120.64 130.54 2dmm n GLU 44 Ca -0.01 -0.15 -0.21 0.00 -0.01 0.00 0.00 57.16 56.78 2dmm n GLU 44 Cb 0.56 -1.37 -0.14 0.00 -1.01 0.00 0.00 31.44 29.47 2dmm n GLU 44 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2dmm h ASN 45 N 0.32 0.42 -4.72 1.62 2.35 -1.95 -3.37 115.58 110.26 2dmm h ASN 45 Ca 0.00 -0.88 -0.29 0.00 -0.55 0.00 0.00 56.30 54.59 2dmm h ASN 45 Cb 0.07 -0.14 -0.21 0.00 0.05 0.00 0.00 38.32 38.09 2dmm h ASN 45 CO 0.00 1.59 -0.74 -1.59 -1.65 0.00 0.00 177.43 175.05 2dmm s LYS 46 N -2.48 0.58 0.46 0.81 -2.85 -1.23 -5.08 119.74 109.95 2dmm s LYS 46 Ca -0.18 -0.82 -0.22 0.00 -1.00 0.00 0.00 55.97 53.75 2dmm s LYS 46 Cb 0.04 -0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 35.37 2dmm s LYS 46 CO 0.79 0.06 1.06 -0.51 0.10 0.00 0.00 175.35 176.85 2dmm s ASP 47 N -1.69 6.44 -0.05 0.03 1.11 -0.65 -4.73 116.67 117.13 2dmm s ASP 47 Ca -0.08 2.01 -0.09 0.00 0.18 0.00 0.00 52.55 54.57 2dmm s ASP 47 Cb -0.09 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.34 2dmm s ASP 47 CO 0.00 -0.71 0.23 -0.69 1.18 0.00 0.00 175.17 175.18 2dmm s VAL 48 N -1.82 0.03 -0.20 -1.27 1.01 -0.74 -1.97 120.40 115.44 2dmm s VAL 48 Ca 0.64 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2dmm s VAL 48 Cb -0.20 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2dmm s VAL 48 CO 0.24 -0.14 -0.15 -0.22 0.00 0.00 0.00 175.10 174.83 2dmm s LEU 49 N -0.52 2.44 -0.19 3.92 2.96 -0.75 0.46 118.68 126.99 2dmm s LEU 49 Ca -0.06 -0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 2dmm s LEU 49 Cb -0.04 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 2dmm s LEU 49 CO 0.01 -0.02 0.10 -0.51 -1.32 0.00 0.00 176.35 174.62 2dmm s ILE 50 N 1.32 5.16 -0.25 6.68 1.10 -0.70 -1.59 121.20 132.93 2dmm s ILE 50 Ca 0.04 0.10 0.02 0.00 -0.51 0.00 0.00 60.65 60.31 2dmm s ILE 50 Cb -0.14 -3.35 0.05 0.00 0.15 0.00 0.00 42.46 39.18 2dmm s ILE 50 CO -0.10 0.44 -0.11 -0.70 -2.11 0.00 0.00 174.94 172.36 2dmm s GLU 51 N 0.39 2.37 -0.07 3.50 -6.30 -0.97 -0.04 118.70 117.58 2dmm s GLU 51 Ca 0.06 -1.27 -0.21 0.00 -2.50 0.00 0.00 54.97 51.05 2dmm s GLU 51 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 34.13 31.10 2dmm s GLU 51 CO -0.01 -0.52 0.61 -0.06 0.02 0.00 0.00 175.26 175.30 2dmm s PHE 52 N 1.14 3.57 0.18 5.30 0.08 0.77 -2.12 117.98 126.90 2dmm s PHE 52 Ca -0.07 1.13 0.04 0.00 0.12 0.00 0.00 56.93 58.15 2dmm s PHE 52 Cb -0.19 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 2dmm s PHE 52 CO -0.06 0.15 0.14 2.48 -0.10 0.00 0.00 175.22 177.83 2dmm n TYR 53 N 3.59 -0.35 -3.79 0.36 0.18 -1.19 -1.72 117.16 114.25 2dmm n TYR 53 Ca -0.04 -1.46 -0.13 0.00 1.88 0.00 0.00 57.90 58.14 2dmm n TYR 53 Cb 0.51 0.13 -0.14 0.00 -0.38 0.00 0.00 39.34 39.46 2dmm n TYR 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dmm s ALA 54 N -2.69 -0.18 0.24 -3.48 0.00 -1.26 -3.81 121.76 110.57 2dmm s ALA 54 Ca 0.20 0.45 0.22 0.00 0.00 0.00 0.00 51.96 52.82 2dmm s ALA 54 Cb 0.01 -0.30 0.95 0.00 0.00 0.00 0.00 23.12 23.78 2dmm s ALA 54 CO 0.14 -0.10 1.85 -1.00 0.00 0.00 0.00 175.76 176.65 2dmm h PRO 55 N 6.79 0.00 0.00 0.00 0.13 -2.00 -2.93 132.00 133.99 2dmm h PRO 55 Ca -0.37 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 2dmm h PRO 55 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2dmm h PRO 55 CO 0.45 0.26 -1.15 0.11 -0.23 0.00 0.00 178.00 177.44 2dmm h TRP 56 N 0.00 0.00 -3.73 1.56 5.08 -2.03 -3.46 115.95 113.37 2dmm h TRP 56 Ca -0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 2dmm h TRP 56 Cb 0.69 0.00 0.05 0.00 -3.00 0.00 0.00 29.16 26.90 2dmm h TRP 56 CO 0.00 0.81 0.62 0.00 -1.28 0.00 0.00 178.44 178.59 2dmm h GLY 58 N 3.98 0.16 2.00 0.00 0.00 -1.89 -3.10 103.07 104.22 2dmm h GLY 58 Ca -0.47 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 2dmm h GLY 58 CO 0.69 0.36 -0.39 0.84 0.00 0.00 0.00 176.54 178.04 2dmm h HIS 59 N 0.04 0.00 0.16 5.60 -0.00 -1.95 -2.75 115.15 116.25 2dmm h HIS 59 Ca -0.35 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 59.70 2dmm h HIS 59 Cb 2.02 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 29.44 2dmm h HIS 59 CO 0.04 0.39 -1.54 0.00 -0.00 0.00 0.00 177.93 176.82 2dmm h LYS 61 N 0.09 0.57 0.00 0.00 1.57 -1.48 -1.41 116.57 115.91 2dmm h LYS 61 Ca -0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2dmm h LYS 61 Cb 2.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.26 2dmm h LYS 61 CO 0.19 0.50 0.00 -1.71 -0.57 0.00 0.00 179.45 177.86 2dmm n ASN 62 N -4.70 0.00 -0.00 0.86 5.15 -1.04 -0.55 115.26 114.97 2dmm n ASN 62 Ca -0.00 0.47 0.06 0.00 -0.60 0.00 0.00 54.58 54.51 2dmm n ASN 62 Cb 0.11 -0.48 -0.13 0.00 -0.53 0.00 0.00 39.78 38.75 2dmm n ASN 62 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2dmm n LEU 63 N -1.48 0.23 -0.30 1.20 7.94 -0.55 -4.44 117.00 119.60 2dmm n LEU 63 Ca 0.00 0.09 -0.06 0.00 -1.11 0.00 0.00 56.01 54.94 2dmm n LEU 63 Cb 0.01 0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.01 2dmm n LEU 63 CO 0.01 0.08 0.37 1.21 -1.11 0.00 0.00 177.39 177.96 2dmm n GLU 64 N -2.49 -0.28 0.23 1.96 2.13 0.28 0.23 120.64 122.70 2dmm n GLU 64 Ca -0.09 1.11 0.10 0.00 0.66 0.00 0.00 57.16 58.93 2dmm n GLU 64 Cb 0.71 -1.63 0.51 0.00 0.27 0.00 0.00 31.44 31.29 2dmm n GLU 64 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2dmm h PRO 65 N 0.00 0.00 0.00 5.31 0.13 -1.79 0.32 132.00 135.97 2dmm h PRO 65 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 2dmm h PRO 65 Cb 0.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2dmm h PRO 65 CO -0.70 0.22 -0.54 0.87 -0.23 0.00 0.00 178.00 177.63 2dmm h LYS 66 N 0.00 0.00 0.07 0.86 1.79 0.26 -3.25 116.57 116.30 2dmm h LYS 66 Ca -0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 2dmm h LYS 66 Cb 0.66 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.27 2dmm h LYS 66 CO 0.03 0.54 -2.22 0.98 -1.08 0.00 0.00 179.45 177.70 2dmm n TYR 67 N -3.47 0.67 -0.13 -1.35 9.36 0.12 -4.36 117.16 118.00 2dmm n TYR 67 Ca 0.00 0.14 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 2dmm n TYR 67 Cb 0.64 -1.09 -0.09 0.00 -0.63 0.00 0.00 39.34 38.18 2dmm n TYR 67 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2dmm h LYS 68 N 0.04 -0.39 -0.93 2.98 3.64 -1.03 -2.04 116.57 118.85 2dmm h LYS 68 Ca -0.49 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 2dmm h LYS 68 Cb 1.98 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 33.77 2dmm h LYS 68 CO 0.01 -0.26 -0.55 0.39 -2.27 0.00 0.00 179.45 176.77 2dmm n GLU 69 N -5.39 -0.41 -0.30 1.90 -0.58 -1.23 0.83 120.64 115.46 2dmm n GLU 69 Ca -0.03 1.42 0.25 0.00 -0.42 0.00 0.00 57.16 58.37 2dmm n GLU 69 Cb 0.35 -2.08 0.46 0.00 -0.57 0.00 0.00 31.44 29.59 2dmm n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2dmm n LEU 70 N -5.14 0.19 0.34 -4.62 7.94 -0.77 0.40 117.00 115.33 2dmm n LEU 70 Ca 0.02 1.54 -0.18 0.00 -1.11 0.00 0.00 56.01 56.27 2dmm n LEU 70 Cb 0.24 -0.69 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 2dmm n LEU 70 CO -0.15 -1.67 0.57 1.23 -1.11 0.00 0.00 177.39 176.26 2dmm h GLY 71 N 0.00 -1.16 2.00 -3.96 0.00 0.49 0.13 103.07 100.57 2dmm h GLY 71 Ca 0.71 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.54 2dmm h GLY 71 CO -0.76 -0.39 -0.05 1.05 0.00 0.00 0.00 176.54 176.40 2dmm h GLU 72 N -1.01 0.00 -0.08 4.80 4.11 -0.57 -2.96 114.58 118.87 2dmm h GLU 72 Ca -0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.28 2dmm h GLU 72 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dmm h GLU 72 CO 0.02 0.05 -0.25 0.87 0.07 0.00 0.00 179.01 179.77 2dmm h LYS 73 N 0.00 0.31 0.00 1.06 1.79 0.43 -3.02 116.57 117.14 2dmm h LYS 73 Ca -0.00 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2dmm h LYS 73 Cb 0.56 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2dmm h LYS 73 CO 0.01 0.85 0.00 1.28 -1.08 0.00 0.00 179.45 180.51 2dmm n LEU 74 N -4.49 0.00 0.06 2.94 4.77 0.39 -3.83 117.00 116.84 2dmm n LEU 74 Ca -0.08 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.11 2dmm n LEU 74 Cb 0.46 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.23 2dmm n LEU 74 CO 0.40 0.00 1.19 0.77 -1.33 0.00 0.00 177.39 178.42 2dmm h SER 75 N 0.00 0.00 0.00 -1.43 4.64 -1.39 0.89 113.55 116.26 2dmm h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dmm h SER 75 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dmm h SER 75 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2dmm n LYS 76 N -3.52 0.95 -3.93 4.77 4.01 -1.25 -4.52 118.16 114.67 2dmm n LYS 76 Ca 0.09 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.57 2dmm n LYS 76 Cb 0.78 -1.08 -0.14 0.00 -0.51 0.00 0.00 35.03 34.08 2dmm n LYS 76 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2dmm s ASP 77 N -0.88 4.85 0.00 4.39 -1.08 0.31 -4.94 116.67 119.32 2dmm s ASP 77 Ca 0.00 -2.30 0.15 0.00 -0.52 0.00 0.00 52.55 49.89 2dmm s ASP 77 Cb 0.00 -1.70 0.89 0.00 -1.46 0.00 0.00 42.92 40.66 2dmm s ASP 77 CO 0.00 -0.40 1.35 -0.81 0.52 0.00 0.00 175.17 175.83 2dmm n PRO 78 N 4.12 0.43 -0.06 4.34 -0.04 -1.26 -2.76 135.00 139.77 2dmm n PRO 78 Ca 0.03 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 2dmm n PRO 78 Cb 0.40 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 2dmm n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmm n ASN 79 N -1.05 2.82 -4.76 3.54 3.02 -1.26 -4.98 115.26 112.58 2dmm n ASN 79 Ca 0.11 -0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 2dmm n ASN 79 Cb 0.07 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2dmm n ASN 79 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmm s ILE 80 N -2.26 5.18 -0.14 2.41 1.01 -1.11 -1.63 121.20 124.66 2dmm s ILE 80 Ca -0.14 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 2dmm s ILE 80 Cb 0.04 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2dmm s ILE 80 CO 0.34 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.96 2dmm s VAL 81 N 0.03 1.02 0.03 2.92 1.01 -0.83 -4.71 120.40 119.86 2dmm s VAL 81 Ca 0.22 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 2dmm s VAL 81 Cb -0.15 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2dmm s VAL 81 CO 0.09 0.23 0.70 -0.63 0.00 0.00 0.00 175.10 175.48 2dmm s ILE 82 N 1.69 4.80 0.19 2.22 -1.09 -1.26 -1.82 121.20 125.93 2dmm s ILE 82 Ca 0.03 1.48 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 2dmm s ILE 82 Cb -0.14 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 2dmm s ILE 82 CO -0.08 0.39 0.30 0.00 -1.23 0.00 0.00 174.94 174.32 2dmm s ALA 83 N -0.12 0.14 0.07 9.38 0.00 -0.62 -1.86 121.76 128.75 2dmm s ALA 83 Ca 0.35 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2dmm s ALA 83 Cb -0.20 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2dmm s ALA 83 CO 0.21 -0.69 -0.07 -1.59 0.00 0.00 0.00 175.76 173.62 2dmm s LYS 84 N -4.01 0.69 -0.13 0.00 -2.85 0.20 -2.29 119.74 111.35 2dmm s LYS 84 Ca 0.22 -1.06 -0.08 0.00 -1.00 0.00 0.00 55.97 54.05 2dmm s LYS 84 Cb 0.03 -0.27 0.05 0.00 -2.06 0.00 0.00 37.83 35.58 2dmm s LYS 84 CO 0.04 0.02 0.32 1.41 0.10 0.00 0.00 175.35 177.24 2dmm s MET 85 N -2.72 0.31 -0.83 1.78 1.75 -0.90 -0.14 119.30 118.55 2dmm s MET 85 Ca 0.01 0.61 -0.23 0.00 -1.25 0.00 0.00 55.69 54.84 2dmm s MET 85 Cb -0.02 -0.02 0.07 0.00 2.84 0.00 0.00 34.83 37.70 2dmm s MET 85 CO -0.02 -0.14 1.19 -0.51 -0.65 0.00 0.00 175.02 174.89 2dmm s ASP 86 N 1.09 6.37 0.08 1.11 1.11 -1.26 -3.18 116.67 121.98 2dmm s ASP 86 Ca -0.08 -1.27 -0.26 0.00 0.18 0.00 0.00 52.55 51.13 2dmm s ASP 86 Cb -0.08 -2.48 -0.11 0.00 1.07 0.00 0.00 42.92 41.32 2dmm s ASP 86 CO -0.08 -1.44 1.41 0.00 1.18 0.00 0.00 175.17 176.24 2dmm h ALA 87 N 9.53 -0.88 -1.07 5.23 0.00 -1.70 0.63 119.26 131.00 2dmm h ALA 87 Ca -0.05 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.06 2dmm h ALA 87 Cb 1.04 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 2dmm h ALA 87 CO 1.24 -0.98 0.71 0.00 0.00 0.00 0.00 179.25 180.22 2dmm h THR 88 N -0.56 0.49 0.00 0.00 1.03 -1.91 0.93 112.91 112.89 2dmm h THR 88 Ca -0.00 -0.10 -0.05 0.00 -0.01 0.00 0.00 66.41 66.25 2dmm h THR 88 Cb 0.56 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 2dmm h THR 88 CO -0.22 0.05 -0.29 0.00 -0.01 0.00 0.00 175.52 175.05 2dmm h ALA 89 N 1.58 0.83 -2.66 0.00 0.00 -1.54 -3.44 119.26 114.03 2dmm h ALA 89 Ca 0.59 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2dmm h ALA 89 Cb 1.68 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 19.17 2dmm h ALA 89 CO -0.24 0.28 -0.39 0.54 0.00 0.00 0.00 179.25 179.44 2dmm s ASN 90 N -6.26 -0.19 0.50 0.00 2.20 0.32 -4.18 114.94 107.34 2dmm s ASN 90 Ca 0.05 0.85 -0.20 0.00 -0.94 0.00 0.00 52.86 52.62 2dmm s ASN 90 Cb 0.06 0.99 -0.11 0.00 -2.00 0.00 0.00 41.25 40.20 2dmm s ASN 90 CO 0.71 -0.22 0.50 -0.67 -2.94 0.00 0.00 177.10 174.49 2dmm n ASP 91 N 5.01 -1.08 -4.84 3.54 -0.08 -0.95 -4.03 116.55 114.13 2dmm n ASP 91 Ca -0.13 0.81 -0.36 0.00 -1.51 0.00 0.00 54.79 53.59 2dmm n ASP 91 Cb 0.51 -1.13 -0.07 0.00 2.34 0.00 0.00 41.12 42.77 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dmm s VAL 92 N -1.63 5.45 0.00 5.18 1.01 -1.26 -4.70 120.40 124.45 2dmm s VAL 92 Ca 0.66 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2dmm s VAL 92 Cb -0.51 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2dmm s VAL 92 CO 0.57 0.58 0.00 -0.81 0.00 0.00 0.00 175.10 175.44 2dmm n PRO 93 N 2.33 0.23 -4.32 2.72 -0.04 -1.25 -4.76 135.00 129.91 2dmm n PRO 93 Ca -0.19 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.10 2dmm n PRO 93 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmm s SER 94 N -1.51 2.30 0.00 3.54 0.01 -1.26 -3.28 113.70 113.50 2dmm s SER 94 Ca 0.00 -1.05 0.15 0.00 1.31 0.00 0.00 55.95 56.36 2dmm s SER 94 Cb 0.00 -0.09 0.72 0.00 0.21 0.00 0.00 66.02 66.86 2dmm s SER 94 CO 0.00 -0.26 1.41 -0.81 0.41 0.00 0.00 173.24 173.99 2dmm n PRO 95 N -0.35 0.17 -1.24 12.44 -0.04 -1.26 -4.43 135.00 140.30 2dmm n PRO 95 Ca -0.08 0.17 -0.48 0.00 -0.04 0.00 0.00 63.50 63.06 2dmm n PRO 95 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2dmm n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmm n TYR 96 N -1.32 1.17 -4.69 0.54 4.01 -1.21 -4.92 117.16 110.74 2dmm n TYR 96 Ca 0.06 0.82 -0.25 0.00 -0.16 0.00 0.00 57.90 58.37 2dmm n TYR 96 Cb 0.13 -1.59 -0.16 0.00 -0.31 0.00 0.00 39.34 37.40 2dmm n TYR 96 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dmm s GLU 97 N 1.91 1.77 -0.26 -0.72 2.56 -1.26 -4.53 118.70 118.17 2dmm s GLU 97 Ca 0.74 -0.49 -0.01 0.00 0.00 0.00 0.00 54.97 55.21 2dmm s GLU 97 Cb -1.06 -1.47 0.08 0.00 2.00 0.00 0.00 34.13 33.68 2dmm s GLU 97 CO 0.57 0.10 0.06 0.08 -0.56 0.00 0.00 175.26 175.51 2dmm s VAL 98 N 0.43 0.85 -0.20 3.70 1.01 -1.26 -4.97 120.40 119.97 2dmm s VAL 98 Ca -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2dmm s VAL 98 Cb -0.14 -1.48 -0.13 0.00 0.00 0.00 0.00 36.38 34.63 2dmm s VAL 98 CO 0.03 -0.44 -0.17 -1.14 0.00 0.00 0.00 175.10 173.39 2dmm n ARG 99 N 4.89 0.53 -4.65 2.72 3.00 -1.26 -4.99 116.66 116.90 2dmm n ARG 99 Ca -0.06 0.11 -0.25 0.00 -0.00 0.00 0.00 57.85 57.66 2dmm n ARG 99 Cb 0.44 -1.39 -0.16 0.00 0.00 0.00 0.00 32.46 31.34 2dmm n ARG 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2dmm s GLY 100 N -5.87 0.81 0.14 5.14 0.00 -1.26 -5.14 107.32 101.13 2dmm s GLY 100 Ca -0.26 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2dmm s GLY 100 CO 0.46 -0.07 0.27 -1.36 0.00 0.00 0.00 173.10 172.41 2dmm s PHE 101 N 0.40 3.49 0.77 1.90 0.40 -1.26 -4.04 117.98 119.63 2dmm s PHE 101 Ca -0.10 0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 2dmm s PHE 101 Cb -0.13 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.77 2dmm s PHE 101 CO 0.03 0.53 1.09 -1.25 0.70 0.00 0.00 175.22 176.32 2dmm s PRO 102 N -3.13 2.26 -0.27 0.24 0.04 -1.26 -5.00 135.00 127.88 2dmm s PRO 102 Ca 0.35 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2dmm s PRO 102 Cb -0.11 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.62 2dmm s PRO 102 CO 0.28 -1.64 0.09 0.99 0.04 0.00 0.00 177.00 176.76 2dmm s THR 103 N -2.89 0.50 -0.15 1.26 2.01 -0.70 -5.06 115.64 110.62 2dmm s THR 103 Ca 0.61 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2dmm s THR 103 Cb -0.17 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2dmm s THR 103 CO 0.56 -0.55 0.19 -0.63 -0.69 0.00 0.00 174.62 173.49 2dmm s ILE 104 N 1.82 5.40 0.23 1.82 1.01 -1.26 -0.16 121.20 130.05 2dmm s ILE 104 Ca 0.06 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.05 2dmm s ILE 104 Cb -0.17 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2dmm s ILE 104 CO -0.23 0.51 0.03 -0.31 0.00 0.00 0.00 174.94 174.93 2dmm s TYR 105 N -0.25 1.49 -0.03 3.97 2.02 0.95 -2.71 117.35 122.78 2dmm s TYR 105 Ca 0.13 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 55.83 2dmm s TYR 105 Cb -0.12 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 2dmm s TYR 105 CO 0.02 -0.16 -0.04 0.12 -1.57 0.00 0.00 175.55 173.93 2dmm s PHE 106 N -3.56 0.65 -0.62 2.71 5.36 0.11 -1.71 117.98 120.92 2dmm s PHE 106 Ca 0.30 -0.15 -0.09 0.00 -0.96 0.00 0.00 56.93 56.02 2dmm s PHE 106 Cb 0.06 -0.56 0.16 0.00 -0.34 0.00 0.00 43.02 42.35 2dmm s PHE 106 CO 0.09 -0.14 0.50 0.45 -1.46 0.00 0.00 175.22 174.67 2dmm s SER 107 N 0.65 5.93 1.15 6.13 0.15 0.17 -2.30 113.70 125.58 2dmm s SER 107 Ca -0.08 -2.37 -0.17 0.00 0.70 0.00 0.00 55.95 54.03 2dmm s SER 107 Cb -0.12 -2.04 0.26 0.00 -1.71 0.00 0.00 66.02 62.41 2dmm s SER 107 CO -0.00 -0.59 1.11 -2.16 1.20 0.00 0.00 173.24 172.79 2dmm s PRO 108 N 0.68 -0.82 -0.02 5.44 0.04 -1.26 -1.79 135.00 137.26 2dmm s PRO 108 Ca 0.12 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.07 2dmm s PRO 108 Cb -0.20 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2dmm s PRO 108 CO -0.03 -3.47 0.45 0.00 0.04 0.00 0.00 177.00 173.98 2dmm s ALA 109 N -3.00 3.62 -0.93 8.56 0.00 -1.26 -4.08 121.76 124.68 2dmm s ALA 109 Ca 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2dmm s ALA 109 Cb -0.12 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2dmm s ALA 109 CO 0.56 0.33 0.00 0.09 0.00 0.00 0.00 175.76 176.74 2dmm n ASN 110 N 2.34 -2.98 -0.30 0.00 3.02 -1.26 -4.74 115.26 111.33 2dmm n ASN 110 Ca -0.11 0.25 0.07 0.00 -0.03 0.00 0.00 54.58 54.76 2dmm n ASN 110 Cb 0.52 -2.71 0.12 0.00 -0.61 0.00 0.00 39.78 37.10 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dmm n LYS 111 N -2.26 1.02 -0.14 3.52 5.02 -1.26 -4.82 118.16 119.24 2dmm n LYS 111 Ca -0.11 -2.36 -0.04 0.00 -2.02 0.00 0.00 58.31 53.78 2dmm n LYS 111 Cb 0.47 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 34.25 2dmm n LYS 111 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dmm h LYS 112 N 0.20 0.00 -1.04 1.97 6.56 -1.85 0.10 116.57 122.50 2dmm h LYS 112 Ca -0.01 -0.00 0.31 0.00 -1.06 0.00 0.00 60.65 59.89 2dmm h LYS 112 Cb 1.12 -0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.65 2dmm h LYS 112 CO 0.00 0.00 0.63 -0.07 -2.06 0.00 0.00 179.45 177.95 2dmm h LEU 113 N 0.00 0.51 -6.84 2.94 -0.00 -1.90 -3.24 115.31 106.78 2dmm h LEU 113 Ca 0.22 0.15 -0.59 0.00 -0.00 0.00 0.00 57.88 57.66 2dmm h LEU 113 Cb 0.33 0.09 -0.40 0.00 -0.00 0.00 0.00 40.66 40.69 2dmm h LEU 113 CO -0.47 -0.04 -0.78 0.21 -0.00 0.00 0.00 178.44 177.35 2dmm s ASN 114 N -4.99 3.43 0.38 -0.43 3.84 0.01 -4.97 114.94 112.21 2dmm s ASN 114 Ca -0.10 -2.29 0.00 0.00 0.21 0.00 0.00 52.86 50.68 2dmm s ASN 114 Cb 0.29 -0.74 0.00 0.00 -0.55 0.00 0.00 41.25 40.24 2dmm s ASN 114 CO 0.80 -0.31 0.00 -0.81 -2.79 0.00 0.00 177.10 173.99 2dmm n PRO 115 N 3.95 0.22 -3.89 0.43 -0.04 -1.11 -4.84 135.00 129.72 2dmm n PRO 115 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2dmm n PRO 115 Cb 0.37 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.71 2dmm n PRO 115 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2dmm s LYS 116 N -1.15 0.26 -0.20 0.54 -0.14 -0.97 -5.00 119.74 113.07 2dmm s LYS 116 Ca 0.00 -0.23 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 2dmm s LYS 116 Cb 0.00 0.11 0.03 0.00 -1.68 0.00 0.00 37.83 36.28 2dmm s LYS 116 CO 0.00 -0.05 -0.17 0.21 -0.76 0.00 0.00 175.35 174.58 2dmm s LYS 117 N -0.77 2.85 -0.22 1.68 2.20 -1.26 0.09 119.74 124.30 2dmm s LYS 117 Ca -0.08 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.29 2dmm s LYS 117 Cb -0.05 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.53 2dmm s LYS 117 CO 0.00 -0.29 2.18 0.98 -0.36 0.00 0.00 175.35 177.86 2dmm n TYR 118 N 4.59 1.94 -3.84 4.03 9.36 -1.10 -4.92 117.16 127.22 2dmm n TYR 118 Ca -0.19 -0.04 -0.30 0.00 3.32 0.00 0.00 57.90 60.69 2dmm n TYR 118 Cb 0.48 -2.68 -0.14 0.00 -0.63 0.00 0.00 39.34 36.38 2dmm n TYR 118 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2dmm s GLU 119 N 6.03 1.54 0.00 2.98 0.41 -1.26 -4.75 118.70 123.65 2dmm s GLU 119 Ca 1.02 -2.18 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 2dmm s GLU 119 Cb -0.50 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.07 2dmm s GLU 119 CO 0.40 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.48 2dmm n GLY 120 N 3.52 1.25 3.72 -1.39 0.00 -1.26 -5.14 105.19 105.90 2dmm n GLY 120 Ca 0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2dmm n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmm s GLY 121 N 0.00 2.68 -0.04 -0.02 0.00 -1.26 -4.94 107.32 103.73 2dmm s GLY 121 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2dmm s GLY 121 CO 0.00 1.23 3.17 0.54 0.00 0.00 0.00 173.10 178.04 2dmm n ARG 122 N 3.65 1.81 -4.06 2.90 1.74 -1.26 -4.45 116.66 116.99 2dmm n ARG 122 Ca -0.01 -0.91 -0.35 0.00 -0.77 0.00 0.00 57.85 55.82 2dmm n ARG 122 Cb 0.51 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 2dmm n ARG 122 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2dmm s GLU 123 N 0.49 3.69 0.17 5.56 2.12 -1.26 -4.99 118.70 124.48 2dmm s GLU 123 Ca 0.51 -0.32 -0.12 0.00 0.36 0.00 0.00 54.97 55.40 2dmm s GLU 123 Cb 0.25 -3.12 0.19 0.00 0.26 0.00 0.00 34.13 31.71 2dmm s GLU 123 CO -0.02 0.45 1.10 -0.11 -0.54 0.00 0.00 175.26 176.14 2dmm n LEU 124 N 2.99 -0.44 0.03 2.70 -0.00 -1.26 0.37 117.00 121.39 2dmm n LEU 124 Ca -0.18 1.23 -0.13 0.00 -0.00 0.00 0.00 56.01 56.94 2dmm n LEU 124 Cb 0.53 -0.29 -0.09 0.00 -0.00 0.00 0.00 43.42 43.57 2dmm n LEU 124 CO 0.33 -1.12 0.66 0.28 -0.00 0.00 0.00 177.39 177.55 2dmm h SER 125 N 0.00 -0.07 -1.64 1.96 0.02 -1.94 -2.91 113.55 108.96 2dmm h SER 125 Ca 0.26 -0.32 0.48 0.00 -0.84 0.00 0.00 61.79 61.37 2dmm h SER 125 Cb 0.43 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 2dmm h SER 125 CO -0.71 0.29 1.16 0.44 -1.14 0.00 0.00 176.83 176.87 2dmm h ASP 126 N -0.45 0.05 0.05 3.07 5.19 -0.35 1.11 116.42 125.09 2dmm h ASP 126 Ca -0.01 0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 56.16 2dmm h ASP 126 Cb 0.39 0.02 0.02 0.00 0.18 0.00 0.00 39.33 39.95 2dmm h ASP 126 CO 0.01 -0.03 -1.09 -0.26 -3.12 0.00 0.00 179.24 174.76 2dmm h PHE 127 N 0.02 1.00 0.55 4.55 0.04 -0.97 -2.84 116.94 119.28 2dmm h PHE 127 Ca 0.81 -0.58 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 2dmm h PHE 127 Cb 3.13 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 41.19 2dmm h PHE 127 CO -0.00 1.42 -0.26 0.82 -0.60 0.00 0.00 178.31 179.68 2dmm h ILE 128 N 0.30 0.44 -0.33 -0.55 2.04 0.13 -2.39 117.51 117.14 2dmm h ILE 128 Ca -0.15 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.61 2dmm h ILE 128 Cb 1.76 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2dmm h ILE 128 CO 0.21 0.03 0.23 -1.28 0.00 0.00 0.00 178.15 177.34 2dmm h SER 129 N -0.84 0.15 -0.39 1.72 0.87 -1.42 0.12 113.55 113.76 2dmm h SER 129 Ca -0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2dmm h SER 129 Cb 0.60 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2dmm h SER 129 CO 0.12 0.10 0.15 0.22 -0.53 0.00 0.00 176.83 176.89 2dmm h TYR 130 N 0.17 0.60 0.04 2.24 3.20 -1.23 -3.10 116.97 118.89 2dmm h TYR 130 Ca 0.15 -0.05 -0.27 0.00 3.14 0.00 0.00 58.73 61.70 2dmm h TYR 130 Cb 0.38 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 38.49 2dmm h TYR 130 CO -0.00 0.55 -1.10 -0.07 -1.64 0.00 0.00 178.16 175.90 2dmm h LEU 131 N 0.48 0.83 -1.42 2.82 3.38 -0.83 -0.34 115.31 120.25 2dmm h LEU 131 Ca 0.13 -0.70 0.16 0.00 0.09 0.00 0.00 57.88 57.56 2dmm h LEU 131 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2dmm h LEU 131 CO -0.01 1.51 0.79 1.56 0.09 0.00 0.00 178.44 182.38 2dmm h GLN 132 N 0.33 0.00 0.00 1.13 4.20 -0.72 0.38 115.11 120.42 2dmm h GLN 132 Ca -0.14 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 2dmm h GLN 132 Cb 1.75 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.51 2dmm h GLN 132 CO 0.21 0.00 -1.53 2.89 -0.67 0.00 0.00 178.83 179.73 2dmm n ARG 133 N -3.30 1.00 0.24 1.46 1.85 -1.20 -4.77 116.66 111.93 2dmm n ARG 133 Ca 0.12 0.04 -0.11 0.00 -1.00 0.00 0.00 57.85 56.90 2dmm n ARG 133 Cb 0.99 -1.19 -0.05 0.00 -1.05 0.00 0.00 32.46 31.15 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dmm h GLU 134 N 0.00 -0.64 -5.76 2.89 4.39 0.26 -3.43 114.58 112.29 2dmm h GLU 134 Ca -0.21 0.04 -0.65 0.00 0.34 0.00 0.00 59.36 58.88 2dmm h GLU 134 Cb 1.37 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.12 2dmm h GLU 134 CO -0.02 -0.41 1.47 0.00 -1.16 0.00 0.00 179.01 178.90 2dmm n ALA 135 N -2.72 0.60 -0.27 3.43 0.00 0.12 -4.79 120.51 116.89 2dmm n ALA 135 Ca -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2dmm n ALA 135 Cb 0.27 -2.38 0.08 0.00 0.00 0.00 0.00 19.45 17.42 2dmm n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmm h THR 136 N 7.29 0.21 0.48 0.00 1.03 -1.86 -2.27 112.91 117.79 2dmm h THR 136 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.21 2dmm h THR 136 Cb 1.35 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2dmm h THR 136 CO 1.13 0.00 -0.23 0.28 -0.01 0.00 0.00 175.52 176.69 2dmm h SER 137 N -0.02 -0.55 -3.73 0.00 0.02 -1.95 -3.50 113.55 103.82 2dmm h SER 137 Ca 0.36 -0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.45 2dmm h SER 137 Cb 0.57 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 2dmm h SER 137 CO -0.80 -0.14 -0.48 0.61 -1.14 0.00 0.00 176.83 174.88 2dmm n GLY 138 N -0.14 -2.36 3.77 -3.77 0.00 -0.86 -4.90 105.19 96.93 2dmm n GLY 138 Ca -0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2dmm n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmm s PRO 139 N -2.72 2.73 0.24 1.61 0.04 -1.26 -4.94 135.00 130.70 2dmm s PRO 139 Ca 0.00 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2dmm s PRO 139 Cb 0.00 -1.94 0.35 0.00 0.04 0.00 0.00 34.50 32.95 2dmm s PRO 139 CO 0.00 -1.30 1.83 0.66 0.04 0.00 0.00 177.00 178.23 2dmm h SER 140 N -0.12 0.77 -3.56 6.66 4.64 -1.92 -3.31 113.55 116.71 2dmm h SER 140 Ca -0.46 0.03 -0.77 0.00 -0.47 0.00 0.00 61.79 60.11 2dmm h SER 140 Cb 1.24 -0.13 -0.25 0.00 -0.31 0.00 0.00 62.40 62.96 2dmm h SER 140 CO 0.54 0.47 0.18 -0.94 -0.87 0.00 0.00 176.83 176.21 2dmm s SER 141 N -5.70 6.70 0.00 4.97 1.04 -1.26 -5.30 113.70 114.14 2dmm s SER 141 Ca -0.13 -2.51 0.00 0.00 0.48 0.00 0.00 55.95 53.79 2dmm s SER 141 Cb 0.19 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2dmm s SER 141 CO 0.79 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.94