#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 0.90 -0.14 1.61 0.01 -1.26 -5.10 113.70 109.73 2dmm s SER 2 Ca 0.00 -1.56 -0.12 0.00 1.31 0.00 0.00 55.95 55.58 2dmm s SER 2 Cb 0.00 0.46 -0.08 0.00 0.21 0.00 0.00 66.02 66.61 2dmm s SER 2 CO 0.00 -0.94 0.06 0.77 0.41 0.00 0.00 173.24 173.54 2dmm h SER 3 N 2.38 0.00 -4.25 2.44 4.64 -2.16 -3.51 113.55 113.10 2dmm h SER 3 Ca -0.31 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2dmm h SER 3 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2dmm h SER 3 CO 0.46 0.86 -0.87 0.61 -0.87 0.00 0.00 176.83 177.02 2dmm n GLY 4 N 1.62 -4.90 2.98 -0.77 0.00 -1.26 -5.05 105.19 97.81 2dmm n GLY 4 Ca -0.11 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2dmm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmm s SER 5 N -1.91 -0.13 0.22 1.61 1.04 -1.26 -5.16 113.70 108.12 2dmm s SER 5 Ca 0.00 0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.51 2dmm s SER 5 Cb 0.00 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.40 2dmm s SER 5 CO 0.00 -0.08 0.62 -0.55 0.98 0.00 0.00 173.24 174.21 2dmm s SER 6 N 0.43 -0.33 0.28 7.02 0.15 -1.26 -5.19 113.70 114.80 2dmm s SER 6 Ca -0.03 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 2dmm s SER 6 Cb -0.04 0.65 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 2dmm s SER 6 CO -0.02 -1.16 0.56 0.61 1.20 0.00 0.00 173.24 174.43 2dmm n GLY 7 N -0.40 1.27 3.81 9.45 0.00 -1.26 -5.16 105.19 112.90 2dmm n GLY 7 Ca -0.09 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.18 3.80 0.10 1.61 5.36 -1.26 -5.08 117.98 118.32 2dmm s PHE 8 Ca 0.11 1.32 0.05 0.00 -0.96 0.00 0.00 56.93 57.45 2dmm s PHE 8 Cb -0.03 -2.53 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 2dmm s PHE 8 CO 0.08 0.55 -0.14 0.34 -1.46 0.00 0.00 175.22 174.59 2dmm s ASP 9 N -1.20 1.85 0.00 6.13 -1.08 -1.26 -5.05 116.67 116.05 2dmm s ASP 9 Ca 0.32 -0.74 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 2dmm s ASP 9 Cb -0.19 -0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 2dmm s ASP 9 CO 0.20 -0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.37 2dmm n GLY 10 N 0.79 0.96 2.49 2.66 0.00 -1.26 -4.99 105.19 105.85 2dmm n GLY 10 Ca -0.17 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -4.18 -4.23 1.61 2.85 -1.26 -4.98 115.26 105.06 2dmm n ASN 11 Ca 0.00 -0.19 -0.42 0.00 -0.11 0.00 0.00 54.58 53.86 2dmm n ASN 11 Cb 0.00 -3.02 -0.06 0.00 1.24 0.00 0.00 39.78 37.94 2dmm n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dmm s LEU 12 N -4.07 6.00 -0.20 1.20 1.43 -1.26 -5.02 118.68 116.76 2dmm s LEU 12 Ca 0.20 -2.45 -0.22 0.00 -1.03 0.00 0.00 54.13 50.62 2dmm s LEU 12 Cb -0.09 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2dmm s LEU 12 CO 0.24 -0.57 0.62 -1.59 0.23 0.00 0.00 176.35 175.28 2dmm s LYS 13 N 0.54 0.76 -0.30 1.70 0.00 -1.26 -4.81 119.74 116.38 2dmm s LYS 13 Ca 0.13 0.76 -0.15 0.00 0.00 0.00 0.00 55.97 56.71 2dmm s LYS 13 Cb -0.19 0.37 0.16 0.00 0.00 0.00 0.00 37.83 38.17 2dmm s LYS 13 CO -0.04 -0.12 0.98 0.50 0.00 0.00 0.00 175.35 176.67 2dmm s ARG 14 N 0.09 0.30 0.08 1.78 6.06 -1.26 -4.96 118.95 121.04 2dmm s ARG 14 Ca -0.02 0.75 -0.17 0.00 -2.50 0.00 0.00 55.73 53.80 2dmm s ARG 14 Cb -0.04 0.45 0.03 0.00 0.06 0.00 0.00 34.95 35.45 2dmm s ARG 14 CO 0.02 -0.10 0.40 1.52 -2.50 0.00 0.00 175.30 174.63 2dmm s TYR 15 N 2.45 -0.22 -0.19 5.12 1.13 -1.26 -3.79 117.35 120.59 2dmm s TYR 15 Ca -0.03 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.69 2dmm s TYR 15 Cb -0.06 0.22 -0.12 0.00 -1.10 0.00 0.00 41.96 40.90 2dmm s TYR 15 CO -0.18 -0.62 -0.18 1.47 -2.51 0.00 0.00 175.55 173.53 2dmm n LEU 16 N 0.19 2.79 -4.96 -3.49 -0.00 -1.26 -5.02 117.00 105.25 2dmm n LEU 16 Ca -0.17 -0.06 -0.22 0.00 -0.00 0.00 0.00 56.01 55.56 2dmm n LEU 16 Cb 0.61 -0.65 -0.01 0.00 -0.00 0.00 0.00 43.42 43.37 2dmm n LEU 16 CO 0.19 0.77 0.10 -0.75 -0.00 0.00 0.00 177.39 177.70 2dmm s LYS 17 N -2.38 3.40 -0.15 1.47 2.20 -1.26 -4.98 119.74 118.05 2dmm s LYS 17 Ca -0.26 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 2dmm s LYS 17 Cb 0.07 -2.75 0.12 0.00 -1.51 0.00 0.00 37.83 33.76 2dmm s LYS 17 CO 0.42 0.21 0.97 -1.54 -0.36 0.00 0.00 175.35 175.06 2dmm s SER 18 N -4.04 -0.39 0.27 1.43 1.04 -1.25 -3.37 113.70 107.39 2dmm s SER 18 Ca 0.39 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.31 2dmm s SER 18 Cb -0.09 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2dmm s SER 18 CO 0.33 -0.36 0.27 -1.61 0.98 0.00 0.00 173.24 172.84 2dmm s GLU 19 N -1.14 2.98 0.38 4.02 0.41 -1.26 -4.92 118.70 119.17 2dmm s GLU 19 Ca -0.02 -1.06 -0.26 0.00 -0.41 0.00 0.00 54.97 53.22 2dmm s GLU 19 Cb -0.00 -2.62 -0.09 0.00 -1.78 0.00 0.00 34.13 29.64 2dmm s GLU 19 CO 0.02 0.31 1.20 -1.25 -0.49 0.00 0.00 175.26 175.05 2dmm s PRO 20 N -3.92 4.14 0.06 0.39 0.04 -1.26 -4.41 135.00 130.04 2dmm s PRO 20 Ca 0.36 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 2dmm s PRO 20 Cb -0.08 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2dmm s PRO 20 CO 0.26 -0.27 1.27 0.42 0.04 0.00 0.00 177.00 178.72 2dmm s ILE 21 N -1.33 3.82 1.01 0.56 -1.09 -1.26 -4.99 121.20 117.93 2dmm s ILE 21 Ca 0.55 1.29 -0.12 0.00 -2.23 0.00 0.00 60.65 60.13 2dmm s ILE 21 Cb -0.33 -3.83 0.20 0.00 -1.58 0.00 0.00 42.46 36.92 2dmm s ILE 21 CO 0.42 0.08 1.09 -2.16 -1.23 0.00 0.00 174.94 173.15 2dmm s PRO 22 N 1.30 0.32 -0.08 2.79 0.04 -1.26 -5.00 135.00 133.10 2dmm s PRO 22 Ca 0.61 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 2dmm s PRO 22 Cb -0.31 -1.73 -0.26 0.00 0.04 0.00 0.00 34.50 32.24 2dmm s PRO 22 CO 0.29 -2.80 0.53 1.05 0.04 0.00 0.00 177.00 176.11 2dmm h GLU 23 N -1.94 0.22 -2.30 4.56 4.11 -2.02 -3.47 114.58 113.73 2dmm h GLU 23 Ca -0.55 -0.37 -0.06 0.00 0.07 0.00 0.00 59.36 58.45 2dmm h GLU 23 Cb 1.33 0.14 -0.23 0.00 0.50 0.00 0.00 28.75 30.49 2dmm h GLU 23 CO 0.58 1.05 -0.07 0.45 0.07 0.00 0.00 179.01 181.08 2dmm s SER 24 N -6.84 -0.69 -0.58 3.06 0.15 -1.26 -5.06 113.70 102.48 2dmm s SER 24 Ca -0.16 1.22 0.02 0.00 0.70 0.00 0.00 55.95 57.73 2dmm s SER 24 Cb 0.07 1.16 0.40 0.00 -1.71 0.00 0.00 66.02 65.94 2dmm s SER 24 CO 0.80 -0.21 1.52 0.59 1.20 0.00 0.00 173.24 177.14 2dmm n ASN 25 N 3.56 5.97 -0.20 5.45 3.02 -1.26 -4.78 115.26 127.02 2dmm n ASN 25 Ca -0.18 -3.77 0.21 0.00 -0.03 0.00 0.00 54.58 50.81 2dmm n ASN 25 Cb 0.57 -0.70 0.58 0.00 -0.61 0.00 0.00 39.78 39.62 2dmm n ASN 25 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2dmm h ASP 26 N 2.61 0.27 -1.60 6.41 2.03 -1.97 -3.43 116.42 120.74 2dmm h ASP 26 Ca 0.43 0.03 -0.51 0.00 -0.73 0.00 0.00 57.03 56.25 2dmm h ASP 26 Cb 0.69 -0.02 0.25 0.00 -0.83 0.00 0.00 39.33 39.41 2dmm h ASP 26 CO 1.11 0.11 -2.17 0.61 -1.03 0.00 0.00 179.24 177.87 2dmm n GLY 27 N -1.58 -3.43 0.26 7.15 0.00 -1.26 -4.81 105.19 101.52 2dmm n GLY 27 Ca 0.18 -0.44 0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.15 0.00 -4.76 1.61 0.13 -1.87 -3.41 132.00 122.55 2dmm h PRO 28 Ca -0.42 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.08 2dmm h PRO 28 Cb 1.36 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.13 2dmm h PRO 28 CO 0.24 0.00 -0.83 0.08 -0.23 0.00 0.00 178.00 177.26 2dmm s VAL 29 N -3.65 1.77 0.21 1.56 1.01 -1.26 -3.47 120.40 116.57 2dmm s VAL 29 Ca 0.01 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 2dmm s VAL 29 Cb 0.09 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 2dmm s VAL 29 CO 0.52 0.37 1.50 -0.54 0.00 0.00 0.00 175.10 176.94 2dmm s LYS 30 N 1.38 4.24 -0.61 2.72 -0.14 0.07 -4.66 119.74 122.74 2dmm s LYS 30 Ca 0.02 2.32 -0.24 0.00 -1.36 0.00 0.00 55.97 56.72 2dmm s LYS 30 Cb -0.14 -3.13 0.05 0.00 -1.68 0.00 0.00 37.83 32.92 2dmm s LYS 30 CO -0.10 -0.51 0.98 0.08 -0.76 0.00 0.00 175.35 175.04 2dmm s VAL 31 N 0.55 4.30 -0.19 3.17 1.01 -1.26 0.46 120.40 128.44 2dmm s VAL 31 Ca 0.64 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 2dmm s VAL 31 Cb -0.43 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 2dmm s VAL 31 CO 0.37 -1.33 0.32 -0.69 0.00 0.00 0.00 175.10 173.78 2dmm s VAL 32 N 4.16 5.27 0.06 2.92 1.01 -0.84 -4.90 120.40 128.08 2dmm s VAL 32 Ca 0.27 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.90 2dmm s VAL 32 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2dmm s VAL 32 CO 0.15 0.32 -0.23 0.68 0.00 0.00 0.00 175.10 176.02 2dmm s VAL 33 N 0.93 1.86 0.19 2.92 -7.23 -1.26 -4.16 120.40 113.65 2dmm s VAL 33 Ca 0.16 -1.37 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2dmm s VAL 33 Cb -0.14 -1.62 0.23 0.00 0.56 0.00 0.00 36.38 35.41 2dmm s VAL 33 CO 0.06 0.18 0.92 0.00 -0.31 0.00 0.00 175.10 175.95 2dmm n ALA 34 N 1.59 0.40 -0.06 1.32 0.00 -1.26 0.21 120.51 122.70 2dmm n ALA 34 Ca -0.18 0.62 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 2dmm n ALA 34 Cb 0.53 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2dmm n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dmm h GLU 35 N 0.00 -0.07 -0.57 0.00 5.08 -1.88 -2.62 114.58 114.52 2dmm h GLU 35 Ca 0.40 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.41 2dmm h GLU 35 Cb 0.93 0.02 -0.22 0.00 0.50 0.00 0.00 28.75 29.97 2dmm h GLU 35 CO -0.52 -0.05 -0.09 0.27 -1.00 0.00 0.00 179.01 177.62 2dmm n ASN 36 N -5.28 3.87 0.09 1.42 6.94 0.56 -4.72 115.26 118.14 2dmm n ASN 36 Ca -0.01 -3.78 -0.07 0.00 -0.02 0.00 0.00 54.58 50.70 2dmm n ASN 36 Cb 0.20 -0.63 -0.04 0.00 -2.36 0.00 0.00 39.78 36.95 2dmm n ASN 36 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dmm h PHE 37 N 1.43 -0.30 0.00 -2.53 3.04 0.48 -2.66 116.94 116.40 2dmm h PHE 37 Ca 0.33 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2dmm h PHE 37 Cb 1.54 0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.15 2dmm h PHE 37 CO 1.08 -0.08 0.00 -0.40 -2.02 0.00 0.00 178.31 176.89 2dmm n ASP 38 N -4.99 0.00 -0.02 0.41 5.75 -1.26 0.89 116.55 117.33 2dmm n ASP 38 Ca -0.05 0.42 -0.22 0.00 -0.01 0.00 0.00 54.79 54.93 2dmm n ASP 38 Cb 0.18 -0.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmm h GLU 39 N 0.00 0.19 0.00 0.11 4.57 -1.78 -3.34 114.58 114.34 2dmm h GLU 39 Ca 0.00 -0.33 -0.31 0.00 -1.18 0.00 0.00 59.36 57.54 2dmm h GLU 39 Cb 0.06 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 2dmm h GLU 39 CO 0.00 1.16 -1.97 -0.89 -1.18 0.00 0.00 179.01 176.13 2dmm n ILE 40 N -3.89 1.52 0.32 2.32 5.41 -0.81 -4.68 119.36 119.55 2dmm n ILE 40 Ca -0.29 -0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.10 2dmm n ILE 40 Cb 0.90 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.71 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 -1.00 0.00 -2.86 1.39 2.07 0.29 -3.40 116.25 112.74 2dmm h VAL 41 Ca -0.47 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.49 2dmm h VAL 41 Cb 1.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2dmm h VAL 41 CO -0.28 0.00 1.07 0.20 0.02 0.00 0.00 177.57 178.57 2dmm s ASN 42 N -3.81 6.52 -0.30 0.57 0.01 -1.11 -4.75 114.94 112.08 2dmm s ASN 42 Ca -0.15 1.57 0.02 0.00 -0.71 0.00 0.00 52.86 53.58 2dmm s ASN 42 Cb 0.03 -2.53 0.19 0.00 0.41 0.00 0.00 41.25 39.35 2dmm s ASN 42 CO 0.49 -1.15 0.62 0.20 -1.51 0.00 0.00 177.10 175.75 2dmm s ASN 43 N 3.61 -1.46 0.00 -1.22 -0.87 -1.26 -4.51 114.94 109.23 2dmm s ASN 43 Ca 0.66 0.52 0.09 0.00 -1.57 0.00 0.00 52.86 52.56 2dmm s ASN 43 Cb -0.23 2.06 0.33 0.00 -0.02 0.00 0.00 41.25 43.40 2dmm s ASN 43 CO 0.26 -0.27 1.24 -0.62 -2.57 0.00 0.00 177.10 175.15 2dmm n GLU 44 N 5.42 1.39 -0.10 -0.60 1.02 -1.26 -3.73 120.64 122.78 2dmm n GLU 44 Ca 0.02 -0.61 -0.17 0.00 -0.02 0.00 0.00 57.16 56.38 2dmm n GLU 44 Cb 0.53 -1.18 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2dmm n ASN 45 N -0.05 2.12 -4.28 1.62 5.15 -1.26 -3.15 115.26 115.41 2dmm n ASN 45 Ca 0.08 0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 53.92 2dmm n ASN 45 Cb 0.16 -0.43 -0.10 0.00 -0.53 0.00 0.00 39.78 38.88 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2dmm s LYS 46 N -2.40 1.16 0.41 1.20 -2.85 -1.24 -4.93 119.74 111.09 2dmm s LYS 46 Ca -0.28 -1.49 -0.23 0.00 -1.00 0.00 0.00 55.97 52.97 2dmm s LYS 46 Cb 0.09 -0.82 -0.10 0.00 -2.06 0.00 0.00 37.83 34.94 2dmm s LYS 46 CO 0.44 0.12 0.98 0.16 0.10 0.00 0.00 175.35 177.14 2dmm s ASP 47 N -3.20 6.91 -0.12 0.03 1.47 -1.04 -4.62 116.67 116.11 2dmm s ASP 47 Ca 0.19 1.81 -0.05 0.00 1.18 0.00 0.00 52.55 55.68 2dmm s ASP 47 Cb 0.01 -2.56 0.06 0.00 -0.34 0.00 0.00 42.92 40.09 2dmm s ASP 47 CO 0.03 -0.38 0.25 -0.69 0.68 0.00 0.00 175.17 175.06 2dmm s VAL 48 N -1.94 -0.32 -0.33 2.11 1.01 -0.65 -1.90 120.40 118.40 2dmm s VAL 48 Ca 0.59 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 2dmm s VAL 48 Cb -0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2dmm s VAL 48 CO 0.19 0.11 0.27 -0.22 0.00 0.00 0.00 175.10 175.45 2dmm s LEU 49 N 2.14 4.40 -0.17 3.92 2.96 -0.96 0.09 118.68 131.06 2dmm s LEU 49 Ca -0.01 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2dmm s LEU 49 Cb -0.12 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2dmm s LEU 49 CO -0.08 -0.23 0.03 -0.51 -1.32 0.00 0.00 176.35 174.24 2dmm s ILE 50 N 1.83 4.54 -0.20 6.68 1.10 -0.58 -2.59 121.20 131.97 2dmm s ILE 50 Ca 0.08 -0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.10 2dmm s ILE 50 Cb -0.17 -3.02 0.04 0.00 0.15 0.00 0.00 42.46 39.46 2dmm s ILE 50 CO 0.11 0.48 -0.12 -0.70 -2.11 0.00 0.00 174.94 172.60 2dmm s GLU 51 N 0.26 2.23 -0.32 3.50 -6.30 -1.23 -0.13 118.70 116.71 2dmm s GLU 51 Ca 0.02 -0.88 -0.21 0.00 -2.50 0.00 0.00 54.97 51.40 2dmm s GLU 51 Cb -0.13 -2.47 -0.00 0.00 0.00 0.00 0.00 34.13 31.53 2dmm s GLU 51 CO 0.01 -0.39 0.66 -0.06 0.02 0.00 0.00 175.26 175.50 2dmm s PHE 52 N 1.35 3.19 0.41 5.30 0.08 0.13 -2.14 117.98 126.31 2dmm s PHE 52 Ca -0.01 0.57 0.05 0.00 0.12 0.00 0.00 56.93 57.66 2dmm s PHE 52 Cb -0.16 -3.08 -0.06 0.00 -0.57 0.00 0.00 43.02 39.15 2dmm s PHE 52 CO -0.09 -0.54 0.02 1.52 -0.10 0.00 0.00 175.22 176.04 2dmm s TYR 53 N 2.71 2.30 -0.07 0.36 -0.85 -0.95 -1.89 117.35 118.97 2dmm s TYR 53 Ca 0.26 -0.78 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 2dmm s TYR 53 Cb -0.15 -1.66 0.01 0.00 0.38 0.00 0.00 41.96 40.55 2dmm s TYR 53 CO 0.13 0.32 -0.15 0.00 -1.52 0.00 0.00 175.55 174.33 2dmm s ALA 54 N -2.85 1.47 -1.15 9.51 0.00 -1.26 -3.70 121.76 123.78 2dmm s ALA 54 Ca 0.30 -0.56 0.14 0.00 0.00 0.00 0.00 51.96 51.85 2dmm s ALA 54 Cb 0.08 -0.60 0.65 0.00 0.00 0.00 0.00 23.12 23.25 2dmm s ALA 54 CO 0.15 0.17 1.44 -0.35 0.00 0.00 0.00 175.76 177.17 2dmm n PRO 55 N 3.66 0.07 -0.11 0.00 -0.04 -1.26 -1.95 135.00 135.38 2dmm n PRO 55 Ca -0.21 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2dmm n PRO 55 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 2dmm n PRO 55 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dmm n TRP 56 N -1.43 0.28 -4.33 0.54 4.27 -1.26 -4.97 117.44 110.55 2dmm n TRP 56 Ca 0.05 -0.39 -0.34 0.00 -3.89 0.00 0.00 57.50 52.92 2dmm n TRP 56 Cb 0.15 -0.03 -0.11 0.00 -1.36 0.00 0.00 31.31 29.96 2dmm n TRP 56 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dmm h GLY 58 N 6.59 -0.27 -0.91 0.00 0.00 -1.93 -3.03 103.07 103.52 2dmm h GLY 58 Ca -0.33 0.10 0.38 0.00 0.00 0.00 0.00 47.33 47.47 2dmm h GLY 58 CO 0.64 -0.10 0.50 1.42 0.00 0.00 0.00 176.54 179.00 2dmm n HIS 59 N -5.09 1.02 0.23 5.60 8.25 -1.26 0.43 115.22 124.40 2dmm n HIS 59 Ca -0.09 1.03 -0.14 0.00 -0.26 0.00 0.00 57.72 58.26 2dmm n HIS 59 Cb 0.21 -1.44 -0.08 0.00 1.12 0.00 0.00 29.99 29.80 2dmm n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dmm h LYS 61 N -0.83 0.05 0.00 0.00 1.79 -0.02 1.90 116.57 119.46 2dmm h LYS 61 Ca -0.06 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 2dmm h LYS 61 Cb 0.55 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2dmm h LYS 61 CO 0.10 0.03 -0.22 -0.97 -1.08 0.00 0.00 179.45 177.31 2dmm h ASN 62 N 0.05 0.00 1.11 0.86 -1.24 -1.40 -2.87 115.58 112.09 2dmm h ASN 62 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.54 2dmm h ASN 62 Cb 1.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2dmm h ASN 62 CO -0.84 0.22 -0.73 0.25 -1.29 0.00 0.00 177.43 175.05 2dmm h LEU 63 N 0.00 0.00 -0.37 0.34 5.85 0.34 -3.35 115.31 118.12 2dmm h LEU 63 Ca -0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2dmm h LEU 63 Cb 0.83 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 2dmm h LEU 63 CO 0.03 0.03 -0.49 -0.08 -0.34 0.00 0.00 178.44 177.59 2dmm h GLU 64 N 0.00 -0.37 -0.07 1.25 4.81 0.16 0.51 114.58 120.86 2dmm h GLU 64 Ca 0.00 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2dmm h GLU 64 Cb 0.92 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2dmm h GLU 64 CO 0.00 -0.25 -0.47 -1.00 -0.73 0.00 0.00 179.01 176.56 2dmm h PRO 65 N -0.39 0.18 -0.11 0.92 0.13 -1.75 0.14 132.00 131.13 2dmm h PRO 65 Ca 0.10 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 2dmm h PRO 65 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2dmm h PRO 65 CO -0.56 0.62 -0.37 0.87 -0.23 0.00 0.00 178.00 178.33 2dmm h LYS 66 N 0.15 0.23 0.00 0.86 1.57 -1.38 -3.17 116.57 114.83 2dmm h LYS 66 Ca 0.01 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 2dmm h LYS 66 Cb 0.89 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2dmm h LYS 66 CO 0.07 0.57 -1.22 -0.92 -0.57 0.00 0.00 179.45 177.38 2dmm h TYR 67 N 0.20 0.00 -0.71 -1.35 3.20 0.12 -3.38 116.97 115.05 2dmm h TYR 67 Ca 0.02 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.96 2dmm h TYR 67 Cb 0.74 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.93 2dmm h TYR 67 CO 0.01 1.43 -0.42 1.17 -1.64 0.00 0.00 178.16 178.71 2dmm n LYS 68 N -4.44 -0.31 -0.36 1.82 4.81 0.49 -0.24 118.16 119.93 2dmm n LYS 68 Ca -0.31 1.21 -0.06 0.00 -0.87 0.00 0.00 58.31 58.28 2dmm n LYS 68 Cb 0.66 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 2dmm n LYS 68 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2dmm h GLU 69 N 0.00 -0.04 -1.24 1.64 4.39 -1.76 0.83 114.58 118.40 2dmm h GLU 69 Ca 0.11 0.00 0.41 0.00 0.34 0.00 0.00 59.36 60.23 2dmm h GLU 69 Cb 0.29 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 28.82 2dmm h GLU 69 CO -0.66 -0.03 0.78 1.25 -1.16 0.00 0.00 179.01 179.19 2dmm h LEU 70 N -0.04 0.29 0.06 1.33 5.85 -0.79 0.42 115.31 122.42 2dmm h LEU 70 Ca 0.25 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 2dmm h LEU 70 Cb 0.53 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2dmm h LEU 70 CO -0.91 -0.19 -0.05 1.23 -0.34 0.00 0.00 178.44 178.17 2dmm h GLY 71 N 0.12 -0.62 2.00 3.75 0.00 0.91 0.13 103.07 109.35 2dmm h GLY 71 Ca 0.80 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 48.38 2dmm h GLY 71 CO -0.47 -0.23 -0.12 1.05 0.00 0.00 0.00 176.54 176.78 2dmm h GLU 72 N -0.10 0.00 -0.24 4.80 4.11 -1.33 -2.46 114.58 119.35 2dmm h GLU 72 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2dmm h GLU 72 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2dmm h GLU 72 CO -0.00 0.12 -0.06 0.87 0.07 0.00 0.00 179.01 180.00 2dmm h LYS 73 N 0.00 0.47 -0.09 1.06 1.79 0.00 -2.77 116.57 117.03 2dmm h LYS 73 Ca -0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2dmm h LYS 73 Cb 0.43 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2dmm h LYS 73 CO 0.01 0.70 0.00 1.28 -1.08 0.00 0.00 179.45 180.36 2dmm n LEU 74 N -4.56 0.98 -0.10 2.94 4.77 0.44 -4.05 117.00 117.42 2dmm n LEU 74 Ca -0.04 -0.40 0.25 0.00 -0.03 0.00 0.00 56.01 55.79 2dmm n LEU 74 Cb 0.30 -0.05 0.71 0.00 -2.33 0.00 0.00 43.42 42.05 2dmm n LEU 74 CO 0.39 0.20 1.23 0.77 -1.33 0.00 0.00 177.39 178.65 2dmm h SER 75 N 1.33 0.00 0.08 -1.43 4.64 -1.14 0.44 113.55 117.47 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 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 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 -4.28 0.03 -3.45 4.77 5.02 -1.26 -4.22 118.16 114.77 2dmm n LYS 76 Ca 0.15 0.34 -0.43 0.00 -2.02 0.00 0.00 58.31 56.35 2dmm n LYS 76 Cb 0.82 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 2dmm n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dmm s ASP 77 N -2.76 5.92 0.00 4.39 -1.08 0.15 -4.92 116.67 118.38 2dmm s ASP 77 Ca 0.02 -1.76 0.13 0.00 -0.52 0.00 0.00 52.55 50.42 2dmm s ASP 77 Cb 0.02 -2.10 0.78 0.00 -1.46 0.00 0.00 42.92 40.16 2dmm s ASP 77 CO 0.05 -0.73 1.20 -0.81 0.52 0.00 0.00 175.17 175.40 2dmm n PRO 78 N 5.07 0.49 -0.04 4.34 -0.04 -1.26 -2.86 135.00 140.69 2dmm n PRO 78 Ca -0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.29 2dmm n PRO 78 Cb 0.41 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.92 3.35 -4.54 3.54 3.02 -1.26 -4.93 115.26 113.52 2dmm n ASN 79 Ca 0.10 -0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 2dmm n ASN 79 Cb 0.04 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.17 4.32 -0.33 2.41 1.01 -1.14 -2.49 121.20 122.82 2dmm s ILE 80 Ca -0.11 0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.89 2dmm s ILE 80 Cb 0.03 -4.56 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 2dmm s ILE 80 CO 0.19 -1.12 0.24 -0.69 0.00 0.00 0.00 174.94 173.56 2dmm s VAL 81 N 4.13 5.28 -0.26 2.92 1.01 -0.80 -4.76 120.40 127.93 2dmm s VAL 81 Ca 0.34 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 2dmm s VAL 81 Cb -0.11 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2dmm s VAL 81 CO 0.22 0.04 0.56 -0.63 0.00 0.00 0.00 175.10 175.28 2dmm s ILE 82 N 1.75 5.03 0.35 2.22 -1.09 -1.26 -2.27 121.20 125.93 2dmm s ILE 82 Ca 0.07 0.94 0.04 0.00 -2.23 0.00 0.00 60.65 59.47 2dmm s ILE 82 Cb -0.17 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2dmm s ILE 82 CO 0.11 0.04 0.15 0.00 -1.23 0.00 0.00 174.94 174.01 2dmm s ALA 83 N 2.39 2.34 -0.09 9.38 0.00 -1.07 -0.75 121.76 133.97 2dmm s ALA 83 Ca 0.23 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 2dmm s ALA 83 Cb -0.16 0.99 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2dmm s ALA 83 CO 0.09 -0.44 0.24 -1.59 0.00 0.00 0.00 175.76 174.06 2dmm s LYS 84 N -3.75 0.27 0.05 0.00 -2.85 0.17 -3.55 119.74 110.09 2dmm s LYS 84 Ca 0.32 0.34 0.03 0.00 -1.00 0.00 0.00 55.97 55.66 2dmm s LYS 84 Cb 0.04 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 2dmm s LYS 84 CO 0.17 -0.04 -0.10 1.41 0.10 0.00 0.00 175.35 176.90 2dmm s MET 85 N 0.18 0.61 -0.64 1.78 1.75 -0.91 -1.98 119.30 120.10 2dmm s MET 85 Ca -0.00 -0.80 -0.14 0.00 -1.25 0.00 0.00 55.69 53.49 2dmm s MET 85 Cb -0.02 -0.44 0.16 0.00 2.84 0.00 0.00 34.83 37.37 2dmm s MET 85 CO -0.00 0.09 0.58 -0.51 -0.65 0.00 0.00 175.02 174.53 2dmm s ASP 86 N -1.60 6.33 0.05 1.11 1.11 -1.26 -2.23 116.67 120.18 2dmm s ASP 86 Ca -0.08 -2.16 -0.12 0.00 0.18 0.00 0.00 52.55 50.38 2dmm s ASP 86 Cb -0.10 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 2dmm s ASP 86 CO 0.01 -0.73 1.20 0.00 1.18 0.00 0.00 175.17 176.83 2dmm h ALA 87 N 8.40 -0.38 -1.76 5.23 0.00 -1.71 0.84 119.26 129.88 2dmm h ALA 87 Ca -0.14 0.02 0.51 0.00 0.00 0.00 0.00 54.91 55.30 2dmm h ALA 87 Cb 1.07 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 2dmm h ALA 87 CO 0.91 -0.50 1.35 0.00 0.00 0.00 0.00 179.25 181.02 2dmm h THR 88 N -0.09 0.03 0.01 0.00 1.03 -1.93 1.91 112.91 113.86 2dmm h THR 88 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.13 2dmm h THR 88 Cb 0.20 0.03 -0.05 0.00 -1.07 0.00 0.00 68.15 67.26 2dmm h THR 88 CO -0.27 0.00 -1.84 0.00 -0.01 0.00 0.00 175.52 173.41 2dmm n ALA 89 N -2.79 1.46 -3.88 0.00 0.00 0.17 -4.85 120.51 110.62 2dmm n ALA 89 Ca 0.39 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 2dmm n ALA 89 Cb 1.88 -0.73 -0.17 0.00 0.00 0.00 0.00 19.45 20.43 2dmm n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmm s ASN 90 N -6.06 2.09 -0.04 0.00 0.01 0.65 -3.91 114.94 107.67 2dmm s ASN 90 Ca -0.07 -0.27 -0.32 0.00 -0.71 0.00 0.00 52.86 51.49 2dmm s ASN 90 Cb 0.08 -0.76 -0.10 0.00 0.41 0.00 0.00 41.25 40.88 2dmm s ASN 90 CO 0.82 -0.14 1.97 -0.67 -1.51 0.00 0.00 177.10 177.57 2dmm n ASP 91 N 4.99 3.78 -4.64 -1.22 2.03 -1.22 -4.12 116.55 116.15 2dmm n ASP 91 Ca -0.11 0.86 -0.43 0.00 0.52 0.00 0.00 54.79 55.63 2dmm n ASP 91 Cb 0.50 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.41 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dmm s VAL 92 N 4.73 3.96 0.26 5.18 1.01 -1.26 -4.69 120.40 129.59 2dmm s VAL 92 Ca 0.92 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 2dmm s VAL 92 Cb -0.54 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.01 2dmm s VAL 92 CO 0.45 -0.30 0.23 -0.81 0.00 0.00 0.00 175.10 174.68 2dmm n PRO 93 N 7.26 -1.47 -4.10 2.72 -0.04 -1.25 -4.84 135.00 133.28 2dmm n PRO 93 Ca 0.16 -0.37 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 2dmm n PRO 93 Cb 0.45 -0.35 -0.04 0.00 -0.04 0.00 0.00 33.50 33.52 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmm s SER 94 N -2.13 5.57 0.54 3.54 1.04 -1.26 -2.81 113.70 118.18 2dmm s SER 94 Ca 0.15 -0.22 0.32 0.00 0.48 0.00 0.00 55.95 56.68 2dmm s SER 94 Cb -0.01 -1.44 1.34 0.00 0.10 0.00 0.00 66.02 66.01 2dmm s SER 94 CO 0.12 -0.03 1.98 1.55 0.98 0.00 0.00 173.24 177.83 2dmm h PRO 95 N 1.52 0.00 -3.19 4.02 0.13 -1.92 -3.40 132.00 129.16 2dmm h PRO 95 Ca -0.49 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.23 2dmm h PRO 95 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dmm h PRO 95 CO 0.61 0.04 -0.00 0.66 -0.23 0.00 0.00 178.00 179.08 2dmm n TYR 96 N -3.16 0.28 -3.66 1.56 4.01 -1.13 -4.94 117.16 110.12 2dmm n TYR 96 Ca 0.00 0.56 -0.19 0.00 -0.16 0.00 0.00 57.90 58.12 2dmm n TYR 96 Cb 0.31 -1.11 -0.17 0.00 -0.31 0.00 0.00 39.34 38.07 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2dmm s GLU 97 N -0.06 -0.01 -0.30 -0.72 0.41 -1.26 -4.51 118.70 112.25 2dmm s GLU 97 Ca 0.47 0.45 0.01 0.00 -0.41 0.00 0.00 54.97 55.49 2dmm s GLU 97 Cb -0.66 -0.47 0.07 0.00 -1.78 0.00 0.00 34.13 31.30 2dmm s GLU 97 CO 0.30 -0.34 -0.02 0.08 -0.49 0.00 0.00 175.26 174.79 2dmm s VAL 98 N 2.24 2.55 -0.19 2.63 1.01 -1.26 -4.95 120.40 122.43 2dmm s VAL 98 Ca 0.04 -1.72 0.14 0.00 0.00 0.00 0.00 61.98 60.43 2dmm s VAL 98 Cb -0.12 -2.58 0.44 0.00 0.00 0.00 0.00 36.38 34.12 2dmm s VAL 98 CO -0.05 -0.22 1.19 0.54 0.00 0.00 0.00 175.10 176.57 2dmm n ARG 99 N 4.47 1.76 0.00 2.72 3.00 -1.26 -4.99 116.66 122.37 2dmm n ARG 99 Ca -0.09 -3.28 0.00 0.00 -0.01 0.00 0.00 57.85 54.47 2dmm n ARG 99 Cb 0.42 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.42 2dmm n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dmm n GLY 100 N -0.68 1.00 3.93 -0.13 0.00 -1.26 -5.17 105.19 102.88 2dmm n GLY 100 Ca 0.21 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.52 2dmm n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 101 N 0.00 3.48 0.44 1.61 0.40 -1.26 -3.83 117.98 118.82 2dmm s PHE 101 Ca 0.00 0.26 -0.24 0.00 -0.60 0.00 0.00 56.93 56.36 2dmm s PHE 101 Cb 0.00 -1.79 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 2dmm s PHE 101 CO 0.00 0.41 1.17 -1.25 0.70 0.00 0.00 175.22 176.25 2dmm s PRO 102 N -3.37 3.85 -0.13 0.24 0.04 -1.26 -5.06 135.00 129.32 2dmm s PRO 102 Ca 0.37 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.24 2dmm s PRO 102 Cb -0.11 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2dmm s PRO 102 CO 0.29 -0.48 -0.18 0.99 0.04 0.00 0.00 177.00 177.66 2dmm s THR 103 N -1.49 1.78 -0.06 1.26 2.01 -0.79 -5.06 115.64 113.28 2dmm s THR 103 Ca 0.61 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.87 2dmm s THR 103 Cb -0.30 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2dmm s THR 103 CO 0.36 0.50 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.91 2dmm s ILE 104 N 0.99 2.03 0.13 1.82 1.01 -1.26 0.18 121.20 126.09 2dmm s ILE 104 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.58 2dmm s ILE 104 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2dmm s ILE 104 CO -0.03 0.56 -0.06 -0.31 0.00 0.00 0.00 174.94 175.10 2dmm s TYR 105 N -0.09 1.10 -0.05 3.97 2.02 0.82 -3.12 117.35 121.99 2dmm s TYR 105 Ca -0.06 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2dmm s TYR 105 Cb -0.14 -0.61 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 2dmm s TYR 105 CO 0.04 -0.08 -0.00 0.12 -1.57 0.00 0.00 175.55 174.06 2dmm s PHE 106 N -3.53 0.49 -0.50 2.71 5.36 0.93 -1.53 117.98 121.91 2dmm s PHE 106 Ca 0.16 -0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 55.91 2dmm s PHE 106 Cb 0.05 -0.58 0.10 0.00 -0.34 0.00 0.00 43.02 42.24 2dmm s PHE 106 CO -0.01 -0.20 0.45 -1.54 -1.46 0.00 0.00 175.22 172.45 2dmm s SER 107 N 1.37 6.17 0.96 6.13 1.04 0.11 -1.71 113.70 127.78 2dmm s SER 107 Ca -0.05 -1.52 -0.12 0.00 0.48 0.00 0.00 55.95 54.74 2dmm s SER 107 Cb -0.13 -2.20 0.17 0.00 0.10 0.00 0.00 66.02 63.96 2dmm s SER 107 CO -0.02 -0.75 1.09 -2.16 0.98 0.00 0.00 173.24 172.38 2dmm s PRO 108 N 1.65 0.72 0.27 4.02 0.04 -1.26 -1.63 135.00 138.80 2dmm s PRO 108 Ca 0.04 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 2dmm s PRO 108 Cb -0.27 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2dmm s PRO 108 CO 0.05 -2.56 0.99 0.00 0.04 0.00 0.00 177.00 175.51 2dmm s ALA 109 N -2.95 3.33 -0.07 8.56 0.00 -1.26 -3.56 121.76 125.81 2dmm s ALA 109 Ca 0.65 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2dmm s ALA 109 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2dmm s ALA 109 CO 0.57 0.10 0.00 0.27 0.00 0.00 0.00 175.76 176.70 2dmm n ASN 110 N 1.24 -1.15 -2.55 0.00 6.94 -1.19 -4.74 115.26 113.80 2dmm n ASN 110 Ca -0.01 0.46 -0.17 0.00 -0.02 0.00 0.00 54.58 54.84 2dmm n ASN 110 Cb 0.47 -1.14 0.02 0.00 -2.36 0.00 0.00 39.78 36.77 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2dmm n LYS 111 N -2.45 2.31 0.16 -3.83 5.02 -1.23 -4.90 118.16 113.24 2dmm n LYS 111 Ca -0.01 -3.85 -0.10 0.00 -2.02 0.00 0.00 58.31 52.32 2dmm n LYS 111 Cb 0.49 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 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 2.74 -0.46 -0.79 1.97 1.79 -1.85 -3.19 116.57 116.78 2dmm h LYS 112 Ca 0.09 0.03 0.28 0.00 -2.18 0.00 0.00 60.65 58.87 2dmm h LYS 112 Cb 1.11 0.10 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 2dmm h LYS 112 CO 0.64 -0.17 0.23 1.28 -1.08 0.00 0.00 179.45 180.34 2dmm n LEU 113 N -5.11 0.10 -3.68 2.94 4.77 -1.26 -3.03 117.00 111.73 2dmm n LEU 113 Ca -0.08 1.32 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 2dmm n LEU 113 Cb 0.25 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2dmm n LEU 113 CO 0.22 -1.41 -0.30 0.20 -1.33 0.00 0.00 177.39 174.77 2dmm s ASN 114 N -4.80 3.76 0.44 -1.43 -0.87 -1.22 -4.99 114.94 105.83 2dmm s ASN 114 Ca -0.09 -1.99 0.00 0.00 -1.57 0.00 0.00 52.86 49.21 2dmm s ASN 114 Cb 0.25 -0.84 0.00 0.00 -0.02 0.00 0.00 41.25 40.65 2dmm s ASN 114 CO 0.61 -0.36 0.00 -0.81 -2.57 0.00 0.00 177.10 173.98 2dmm n PRO 115 N 4.37 0.10 -3.62 -0.60 -0.04 -1.17 -4.86 135.00 129.18 2dmm n PRO 115 Ca 0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 2dmm n PRO 115 Cb 0.39 0.00 -0.14 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 -1.33 0.13 0.04 0.54 -0.14 -0.69 -4.96 119.74 113.32 2dmm s LYS 116 Ca 0.00 0.56 -0.20 0.00 -1.36 0.00 0.00 55.97 54.98 2dmm s LYS 116 Cb 0.00 -0.38 -0.06 0.00 -1.68 0.00 0.00 37.83 35.71 2dmm s LYS 116 CO 0.00 -0.38 0.57 0.21 -0.76 0.00 0.00 175.35 174.99 2dmm s LYS 117 N 2.36 4.24 -0.15 1.68 2.20 -1.26 -0.05 119.74 128.76 2dmm s LYS 117 Ca 0.03 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.07 2dmm s LYS 117 Cb -0.13 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2dmm s LYS 117 CO -0.09 0.53 1.52 -0.47 -0.36 0.00 0.00 175.35 176.49 2dmm s TYR 118 N -0.74 2.29 -0.32 4.03 5.04 -1.18 -4.89 117.35 121.57 2dmm s TYR 118 Ca 0.29 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2dmm s TYR 118 Cb -0.19 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.40 2dmm s TYR 118 CO 0.18 -2.88 0.07 -1.21 -1.34 0.00 0.00 175.55 170.36 2dmm s GLU 119 N 4.08 1.13 0.00 4.97 2.02 -1.26 -4.85 118.70 124.80 2dmm s GLU 119 Ca 0.67 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2dmm s GLU 119 Cb -0.27 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2dmm s GLU 119 CO 0.25 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.99 2dmm n GLY 120 N 4.54 -0.59 3.75 -1.39 0.00 -1.26 -5.14 105.19 105.11 2dmm n GLY 120 Ca 0.01 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 3.10 -0.52 -0.02 0.00 -1.26 -4.94 107.32 103.69 2dmm s GLY 121 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 44.72 45.31 2dmm s GLY 121 CO 0.00 1.26 3.26 0.54 0.00 0.00 0.00 173.10 178.16 2dmm n ARG 122 N 1.55 2.61 -4.46 2.90 1.74 -1.26 -4.54 116.66 115.21 2dmm n ARG 122 Ca -0.02 -1.65 -0.34 0.00 -0.77 0.00 0.00 57.85 55.07 2dmm n ARG 122 Cb 0.47 -2.24 -0.10 0.00 -1.02 0.00 0.00 32.46 29.57 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 0.65 2.84 0.23 5.56 2.12 -1.26 -4.98 118.70 123.85 2dmm s GLU 123 Ca 0.65 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 55.34 2dmm s GLU 123 Cb 0.29 -2.68 0.28 0.00 0.26 0.00 0.00 34.13 32.28 2dmm s GLU 123 CO -0.06 0.67 1.60 1.25 -0.54 0.00 0.00 175.26 178.18 2dmm h LEU 124 N 5.02 -0.82 -0.30 2.70 7.12 -1.90 0.54 115.31 127.65 2dmm h LEU 124 Ca -0.50 0.23 -0.13 0.00 0.13 0.00 0.00 57.88 57.62 2dmm h LEU 124 Cb 1.18 0.50 -0.00 0.00 -0.53 0.00 0.00 40.66 41.81 2dmm h LEU 124 CO 0.54 -0.26 -0.30 0.77 -0.13 0.00 0.00 178.44 179.06 2dmm h SER 125 N -0.03 0.79 -1.03 1.25 4.64 -1.95 -3.01 113.55 114.20 2dmm h SER 125 Ca 0.34 -0.47 0.27 0.00 -0.47 0.00 0.00 61.79 61.46 2dmm h SER 125 Cb 0.56 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 2dmm h SER 125 CO -0.77 1.10 0.69 0.44 -0.87 0.00 0.00 176.83 177.41 2dmm h ASP 126 N 0.49 0.34 -0.09 4.97 5.19 -1.23 0.79 116.42 126.87 2dmm h ASP 126 Ca 0.05 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 2dmm h ASP 126 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2dmm h ASP 126 CO 0.07 0.08 -0.38 -0.26 -3.12 0.00 0.00 179.24 175.63 2dmm h PHE 127 N 0.30 0.56 -0.26 4.55 0.04 -1.09 -2.34 116.94 118.70 2dmm h PHE 127 Ca 0.56 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 61.12 2dmm h PHE 127 Cb 1.59 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 39.62 2dmm h PHE 127 CO -0.00 0.98 0.06 0.82 -0.60 0.00 0.00 178.31 179.57 2dmm h ILE 128 N -0.02 0.89 -0.26 -0.55 2.04 -0.82 -0.54 117.51 118.25 2dmm h ILE 128 Ca -0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2dmm h ILE 128 Cb 1.02 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2dmm h ILE 128 CO 0.08 0.03 0.12 0.77 0.00 0.00 0.00 178.15 179.15 2dmm h SER 129 N 0.16 0.34 -0.62 1.72 4.64 -1.29 0.33 113.55 118.83 2dmm h SER 129 Ca 0.12 -0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.37 2dmm h SER 129 Cb 0.11 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 2dmm h SER 129 CO -0.15 0.38 0.31 0.22 -0.87 0.00 0.00 176.83 176.72 2dmm h TYR 130 N 0.28 0.56 -0.19 4.77 5.03 -1.11 -2.45 116.97 123.86 2dmm h TYR 130 Ca 0.09 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.24 2dmm h TYR 130 Cb 0.13 -0.16 0.01 0.00 1.55 0.00 0.00 36.73 38.26 2dmm h TYR 130 CO -0.02 0.24 -0.60 -0.07 -1.32 0.00 0.00 178.16 176.39 2dmm h LEU 131 N 0.57 0.86 -0.90 2.82 3.38 -0.90 -1.53 115.31 119.60 2dmm h LEU 131 Ca 0.29 -0.59 0.37 0.00 0.09 0.00 0.00 57.88 58.03 2dmm h LEU 131 Cb 0.23 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 40.57 2dmm h LEU 131 CO -0.21 1.30 0.45 0.00 0.09 0.00 0.00 178.44 180.07 2dmm n GLN 132 N -4.06 -0.06 -0.10 1.13 1.13 0.11 0.22 117.38 115.75 2dmm n GLN 132 Ca -0.07 1.26 -0.14 0.00 -1.94 0.00 0.00 57.00 56.12 2dmm n GLN 132 Cb 0.65 -2.24 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 2dmm n GLN 132 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2dmm n ARG 133 N -5.06 0.53 -0.17 -1.09 1.74 -1.20 -4.61 116.66 106.80 2dmm n ARG 133 Ca 0.33 0.29 -0.12 0.00 -0.77 0.00 0.00 57.85 57.59 2dmm n ARG 133 Cb 1.13 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.99 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dmm h GLU 134 N -1.00 -0.31 -7.17 5.56 4.39 -0.79 -3.41 114.58 111.85 2dmm h GLU 134 Ca -0.17 0.02 -0.54 0.00 0.34 0.00 0.00 59.36 59.01 2dmm h GLU 134 Cb 1.07 0.07 0.16 0.00 -0.10 0.00 0.00 28.75 29.95 2dmm h GLU 134 CO -0.10 -0.21 0.41 0.00 -1.16 0.00 0.00 179.01 177.94 2dmm s ALA 135 N -5.71 2.11 -0.21 3.43 0.00 0.13 -4.98 121.76 116.53 2dmm s ALA 135 Ca -0.14 0.94 -0.21 0.00 0.00 0.00 0.00 51.96 52.54 2dmm s ALA 135 Cb 0.10 -3.49 -0.19 0.00 0.00 0.00 0.00 23.12 19.54 2dmm s ALA 135 CO 0.63 -1.91 0.20 0.25 0.00 0.00 0.00 175.76 174.93 2dmm n THR 136 N -2.68 1.53 -0.14 0.00 -2.24 -1.26 -4.40 114.28 105.09 2dmm n THR 136 Ca 0.14 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 2dmm n THR 136 Cb 0.50 -2.04 -0.02 0.00 -2.10 0.00 0.00 70.33 66.67 2dmm n THR 136 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2dmm h SER 137 N -1.00 -1.19 -3.99 3.42 4.64 -1.95 -3.48 113.55 110.00 2dmm h SER 137 Ca -0.35 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2dmm h SER 137 Cb 1.30 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2dmm h SER 137 CO -0.21 -0.33 -0.59 0.61 -0.87 0.00 0.00 176.83 175.44 2dmm n GLY 138 N -1.42 -3.87 0.00 -0.77 0.00 -1.26 -4.59 105.19 93.27 2dmm n GLY 138 Ca 0.01 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.18 2dmm n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmm n PRO 139 N -1.42 0.08 -4.01 1.61 -0.04 -1.26 -4.63 135.00 125.33 2dmm n PRO 139 Ca 0.00 0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.32 2dmm n PRO 139 Cb 0.12 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 2dmm n PRO 139 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmm s SER 140 N -2.83 5.33 -0.76 3.54 0.01 -1.26 -5.02 113.70 112.72 2dmm s SER 140 Ca 0.10 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 2dmm s SER 140 Cb 0.10 -1.92 0.20 0.00 0.21 0.00 0.00 66.02 64.61 2dmm s SER 140 CO 0.25 0.11 0.66 -0.55 0.41 0.00 0.00 173.24 174.12 2dmm s SER 141 N 0.74 6.29 0.00 2.44 0.15 -1.26 -5.07 113.70 116.98 2dmm s SER 141 Ca 0.02 -2.71 0.00 0.00 0.70 0.00 0.00 55.95 53.96 2dmm s SER 141 Cb -0.14 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dmm s SER 141 CO 0.02 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.55