#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 0.41 0.20 1.61 0.15 -1.26 -5.18 113.70 109.64 2dmm s SER 2 Ca 0.00 -1.08 -0.09 0.00 0.70 0.00 0.00 55.95 55.49 2dmm s SER 2 Cb 0.00 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 2dmm s SER 2 CO 0.00 -0.65 0.32 -0.94 1.20 0.00 0.00 173.24 173.17 2dmm s SER 3 N -2.97 0.01 0.00 5.45 1.04 -1.26 -5.13 113.70 110.84 2dmm s SER 3 Ca 0.14 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2dmm s SER 3 Cb 0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dmm s SER 3 CO -0.05 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2dmm n GLY 4 N -0.29 1.28 3.23 7.32 0.00 -1.26 -5.18 105.19 110.30 2dmm n GLY 4 Ca -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.41 -0.20 1.61 0.01 -1.26 -5.15 113.70 108.30 2dmm s SER 5 Ca 0.00 0.76 -0.10 0.00 1.31 0.00 0.00 55.95 57.92 2dmm s SER 5 Cb 0.00 0.70 -0.05 0.00 0.21 0.00 0.00 66.02 66.88 2dmm s SER 5 CO 0.00 -0.16 0.14 -0.94 0.41 0.00 0.00 173.24 172.69 2dmm s SER 6 N 0.84 6.22 -0.67 2.44 1.04 -1.26 -5.04 113.70 117.28 2dmm s SER 6 Ca -0.05 0.25 -0.27 0.00 0.48 0.00 0.00 55.95 56.36 2dmm s SER 6 Cb -0.06 -2.09 0.03 0.00 0.10 0.00 0.00 66.02 64.00 2dmm s SER 6 CO -0.06 0.18 1.20 -0.83 0.98 0.00 0.00 173.24 174.71 2dmm s GLY 7 N 0.32 1.04 -0.30 7.32 0.00 -1.26 -4.93 107.32 109.51 2dmm s GLY 7 Ca 0.09 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 2dmm s GLY 7 CO -0.02 2.51 0.70 -0.12 0.00 0.00 0.00 173.10 176.18 2dmm s PHE 8 N 5.21 -1.31 -0.11 1.90 5.36 -1.26 -5.15 117.98 122.63 2dmm s PHE 8 Ca 0.36 1.84 -0.01 0.00 -0.96 0.00 0.00 56.93 58.16 2dmm s PHE 8 Cb -0.09 0.63 0.03 0.00 -0.34 0.00 0.00 43.02 43.24 2dmm s PHE 8 CO 0.18 -0.68 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.68 2dmm s ASP 9 N 2.84 2.13 0.13 6.13 1.01 -1.26 -5.02 116.67 122.62 2dmm s ASP 9 Ca 0.05 -0.28 -0.04 0.00 0.71 0.00 0.00 52.55 52.99 2dmm s ASP 9 Cb -0.12 -0.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.98 2dmm s ASP 9 CO -0.19 -0.13 0.11 -0.83 0.21 0.00 0.00 175.17 174.35 2dmm s GLY 10 N 1.74 0.72 -0.96 0.21 0.00 -1.26 -5.08 107.32 102.70 2dmm s GLY 10 Ca 0.05 -1.22 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 2dmm s GLY 10 CO -0.08 -1.18 1.90 -1.31 0.00 0.00 0.00 173.10 172.43 2dmm s ASN 11 N -3.00 5.27 -0.88 1.64 0.01 -1.26 -4.90 114.94 111.82 2dmm s ASN 11 Ca 0.19 -0.90 -0.16 0.00 -0.71 0.00 0.00 52.86 51.28 2dmm s ASN 11 Cb 0.06 -2.56 0.19 0.00 0.41 0.00 0.00 41.25 39.34 2dmm s ASN 11 CO -0.01 -2.66 0.93 -0.22 -1.51 0.00 0.00 177.10 173.62 2dmm s LEU 12 N 9.69 6.08 0.15 0.60 2.96 -1.26 -4.97 118.68 131.93 2dmm s LEU 12 Ca 0.68 -2.48 -0.23 0.00 -0.22 0.00 0.00 54.13 51.88 2dmm s LEU 12 Cb -0.05 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.42 2dmm s LEU 12 CO 0.00 -0.75 0.60 -1.59 -1.32 0.00 0.00 176.35 173.29 2dmm s LYS 13 N 1.10 1.27 -0.29 1.98 0.00 -1.26 -4.70 119.74 117.83 2dmm s LYS 13 Ca 0.24 -0.45 -0.16 0.00 0.00 0.00 0.00 55.97 55.60 2dmm s LYS 13 Cb -0.08 0.58 0.18 0.00 0.00 0.00 0.00 37.83 38.51 2dmm s LYS 13 CO -0.09 -0.55 1.11 0.50 0.00 0.00 0.00 175.35 176.32 2dmm s ARG 14 N -3.67 0.22 -0.11 1.78 6.06 -1.26 -4.90 118.95 117.08 2dmm s ARG 14 Ca 0.01 0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 53.33 2dmm s ARG 14 Cb -0.01 0.06 0.08 0.00 0.06 0.00 0.00 34.95 35.14 2dmm s ARG 14 CO -0.12 -0.05 0.73 1.52 -2.50 0.00 0.00 175.30 174.88 2dmm s TYR 15 N 1.28 -0.65 -0.18 5.12 1.13 -1.26 -3.81 117.35 118.98 2dmm s TYR 15 Ca -0.08 1.23 -0.02 0.00 -1.41 0.00 0.00 57.07 56.79 2dmm s TYR 15 Cb -0.03 0.39 -0.22 0.00 -1.10 0.00 0.00 41.96 41.00 2dmm s TYR 15 CO -0.13 -0.52 0.11 1.47 -2.51 0.00 0.00 175.55 173.96 2dmm n LEU 16 N 1.27 2.68 -4.53 -3.49 -0.00 -1.26 -4.97 117.00 106.69 2dmm n LEU 16 Ca -0.17 0.06 -0.25 0.00 -0.00 0.00 0.00 56.01 55.65 2dmm n LEU 16 Cb 0.57 -0.96 -0.09 0.00 -0.00 0.00 0.00 43.42 42.94 2dmm n LEU 16 CO 0.18 0.87 -0.43 -1.59 -0.00 0.00 0.00 177.39 176.43 2dmm s LYS 17 N -2.54 1.92 -0.07 1.47 -2.85 -1.26 -5.02 119.74 111.39 2dmm s LYS 17 Ca -0.27 -1.47 -0.31 0.00 -1.00 0.00 0.00 55.97 52.92 2dmm s LYS 17 Cb 0.08 -2.01 0.07 0.00 -2.06 0.00 0.00 37.83 33.91 2dmm s LYS 17 CO 0.70 0.39 0.70 -1.54 0.10 0.00 0.00 175.35 175.70 2dmm s SER 18 N -3.15 -0.64 0.41 0.03 1.04 -1.26 -2.59 113.70 107.54 2dmm s SER 18 Ca 0.27 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.42 2dmm s SER 18 Cb -0.07 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2dmm s SER 18 CO 0.15 -0.58 0.63 -1.61 0.98 0.00 0.00 173.24 172.82 2dmm s GLU 19 N -1.12 3.37 0.34 4.02 0.41 -1.26 -4.97 118.70 119.49 2dmm s GLU 19 Ca -0.10 -0.27 -0.28 0.00 -0.41 0.00 0.00 54.97 53.92 2dmm s GLU 19 Cb -0.00 -2.57 -0.10 0.00 -1.78 0.00 0.00 34.13 29.68 2dmm s GLU 19 CO 0.09 -0.05 1.22 -1.25 -0.49 0.00 0.00 175.26 174.78 2dmm s PRO 20 N -4.48 4.34 0.13 0.39 0.04 -1.26 -4.64 135.00 129.51 2dmm s PRO 20 Ca 0.44 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 2dmm s PRO 20 Cb -0.10 -2.99 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 2dmm s PRO 20 CO 0.38 -0.13 1.36 0.42 0.04 0.00 0.00 177.00 179.08 2dmm s ILE 21 N -1.22 3.32 0.79 0.56 -1.09 -1.26 -5.00 121.20 117.29 2dmm s ILE 21 Ca 0.50 0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 59.79 2dmm s ILE 21 Cb -0.35 -3.62 0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2dmm s ILE 21 CO 0.46 0.09 1.09 -2.16 -1.23 0.00 0.00 174.94 173.19 2dmm s PRO 22 N 0.87 2.13 -0.10 2.79 0.04 -1.26 -5.00 135.00 134.46 2dmm s PRO 22 Ca 0.63 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 2dmm s PRO 22 Cb -0.36 -1.88 -0.26 0.00 0.04 0.00 0.00 34.50 32.03 2dmm s PRO 22 CO 0.32 -1.72 0.43 1.05 0.04 0.00 0.00 177.00 177.12 2dmm h GLU 23 N -1.19 0.24 -2.76 4.56 4.11 -2.04 -3.45 114.58 114.06 2dmm h GLU 23 Ca -0.44 -0.41 -0.44 0.00 0.07 0.00 0.00 59.36 58.13 2dmm h GLU 23 Cb 1.24 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 30.25 2dmm h GLU 23 CO 0.52 1.13 -0.73 -1.54 0.07 0.00 0.00 179.01 178.46 2dmm s SER 24 N -6.94 2.51 -0.38 3.06 1.04 -1.26 -5.02 113.70 106.73 2dmm s SER 24 Ca -0.19 -0.80 0.08 0.00 0.48 0.00 0.00 55.95 55.51 2dmm s SER 24 Cb 0.07 -0.08 0.44 0.00 0.10 0.00 0.00 66.02 66.55 2dmm s SER 24 CO 0.78 -0.38 1.12 -0.46 0.98 0.00 0.00 173.24 175.28 2dmm n ASN 25 N 5.28 4.35 -1.79 7.02 0.23 -1.26 -4.85 115.26 124.23 2dmm n ASN 25 Ca -0.06 -3.56 -0.13 0.00 -0.53 0.00 0.00 54.58 50.30 2dmm n ASN 25 Cb 0.46 -0.43 0.03 0.00 -2.08 0.00 0.00 39.78 37.76 2dmm n ASN 25 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dmm n ASP 26 N -0.52 6.09 -1.37 0.53 8.00 -1.26 -4.54 116.55 123.48 2dmm n ASP 26 Ca 0.36 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.95 2dmm n ASP 26 Cb 0.77 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmm n GLY 27 N 0.56 0.72 0.21 0.44 0.00 -1.26 -5.01 105.19 100.84 2dmm n GLY 27 Ca 0.24 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 0.68 -4.69 1.61 0.13 -1.90 -3.41 132.00 124.42 2dmm h PRO 28 Ca 0.00 -0.36 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 2dmm h PRO 28 Cb 0.00 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 30.78 2dmm h PRO 28 CO 0.00 0.97 -0.68 0.08 -0.23 0.00 0.00 178.00 178.14 2dmm s VAL 29 N -4.35 2.74 0.23 1.56 1.01 -1.26 -3.65 120.40 116.68 2dmm s VAL 29 Ca -0.12 -1.86 -0.31 0.00 0.00 0.00 0.00 61.98 59.69 2dmm s VAL 29 Cb 0.08 -2.78 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 2dmm s VAL 29 CO 0.82 -0.38 1.31 0.29 0.00 0.00 0.00 175.10 177.14 2dmm n LYS 30 N 4.48 1.77 -2.86 2.72 4.76 -0.61 -4.58 118.16 123.84 2dmm n LYS 30 Ca -0.06 0.63 -0.42 0.00 -2.87 0.00 0.00 58.31 55.59 2dmm n LYS 30 Cb 0.42 -2.22 -0.04 0.00 -1.84 0.00 0.00 35.03 31.36 2dmm n LYS 30 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dmm s VAL 31 N -0.23 4.82 -0.22 -0.18 1.01 -1.26 -0.89 120.40 123.45 2dmm s VAL 31 Ca 0.68 1.64 0.02 0.00 0.00 0.00 0.00 61.98 64.31 2dmm s VAL 31 Cb -0.70 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 31.57 2dmm s VAL 31 CO 0.52 -0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 2dmm s VAL 32 N 2.76 2.20 -0.03 2.92 1.01 -0.06 -4.93 120.40 124.25 2dmm s VAL 32 Ca 0.37 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2dmm s VAL 32 Cb -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2dmm s VAL 32 CO 0.08 0.27 -0.09 0.68 0.00 0.00 0.00 175.10 176.04 2dmm s VAL 33 N 1.22 3.53 0.21 2.92 -7.23 -1.26 -4.18 120.40 115.60 2dmm s VAL 33 Ca -0.01 -0.66 0.13 0.00 -1.81 0.00 0.00 61.98 59.63 2dmm s VAL 33 Cb -0.16 -2.47 0.22 0.00 0.56 0.00 0.00 36.38 34.53 2dmm s VAL 33 CO -0.09 0.51 0.82 0.00 -0.31 0.00 0.00 175.10 176.04 2dmm n ALA 34 N 1.97 0.61 0.03 1.32 0.00 -1.26 0.22 120.51 123.40 2dmm n ALA 34 Ca -0.17 0.50 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 2dmm n ALA 34 Cb 0.53 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.16 -0.37 0.00 5.08 -1.90 -2.85 114.58 114.38 2dmm h GLU 35 Ca 0.45 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.71 2dmm h GLU 35 Cb 1.30 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2dmm h GLU 35 CO -0.34 -0.11 0.02 0.27 -1.00 0.00 0.00 179.01 177.86 2dmm n ASN 36 N -5.25 3.37 0.07 1.42 6.94 0.61 -4.68 115.26 117.74 2dmm n ASN 36 Ca -0.04 -3.38 -0.13 0.00 -0.02 0.00 0.00 54.58 51.01 2dmm n ASN 36 Cb 0.17 -0.61 -0.08 0.00 -2.36 0.00 0.00 39.78 36.90 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 1.48 -0.12 0.00 -2.53 3.04 0.08 -1.69 116.94 117.19 2dmm h PHE 37 Ca 0.15 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2dmm h PHE 37 Cb 1.68 0.04 0.00 0.00 2.56 0.00 0.00 35.95 40.23 2dmm h PHE 37 CO 0.83 0.06 0.00 -3.47 -2.02 0.00 0.00 178.31 173.71 2dmm n ASP 38 N -5.07 0.00 -0.06 0.41 -0.08 -1.26 -0.55 116.55 109.94 2dmm n ASP 38 Ca -0.08 0.02 -0.22 0.00 -1.51 0.00 0.00 54.79 53.00 2dmm n ASP 38 Cb 0.14 -0.25 -0.13 0.00 2.34 0.00 0.00 41.12 43.23 2dmm n ASP 38 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dmm n GLU 39 N -1.25 0.67 -0.07 -0.67 2.13 -0.77 -4.14 120.64 116.54 2dmm n GLU 39 Ca 0.07 0.34 -0.07 0.00 0.66 0.00 0.00 57.16 58.16 2dmm n GLU 39 Cb 0.10 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.11 2dmm n GLU 39 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2dmm n ILE 40 N -3.81 1.30 0.17 6.31 5.41 -0.71 -4.69 119.36 123.35 2dmm n ILE 40 Ca -0.36 0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.46 2dmm n ILE 40 Cb 0.92 -2.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.51 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 -0.88 0.00 -2.56 1.39 2.07 -1.04 -3.40 116.25 111.83 2dmm h VAL 41 Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 2dmm h VAL 41 Cb 0.76 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2dmm h VAL 41 CO 0.00 0.00 1.11 0.20 0.02 0.00 0.00 177.57 178.90 2dmm s ASN 42 N -4.04 6.62 -0.30 0.57 -0.87 -1.01 -4.83 114.94 111.08 2dmm s ASN 42 Ca -0.14 2.34 -0.17 0.00 -1.57 0.00 0.00 52.86 53.32 2dmm s ASN 42 Cb 0.04 -2.53 0.18 0.00 -0.02 0.00 0.00 41.25 38.92 2dmm s ASN 42 CO 0.48 -0.95 1.16 0.21 -2.57 0.00 0.00 177.10 175.42 2dmm s ASN 43 N 3.54 -0.29 -0.44 -1.22 3.84 -1.26 -4.51 114.94 114.60 2dmm s ASN 43 Ca 0.77 0.40 0.04 0.00 0.21 0.00 0.00 52.86 54.27 2dmm s ASN 43 Cb -0.35 1.33 0.57 0.00 -0.55 0.00 0.00 41.25 42.25 2dmm s ASN 43 CO 0.32 -0.06 1.77 -1.84 -2.79 0.00 0.00 177.10 174.50 2dmm n GLU 44 N 4.76 2.29 0.00 0.43 -0.00 -1.26 -4.32 120.64 122.54 2dmm n GLU 44 Ca -0.08 -3.19 0.00 0.00 -0.00 0.00 0.00 57.16 53.90 2dmm n GLU 44 Cb 0.54 -2.10 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2dmm n ASN 45 N -1.08 3.00 -3.88 -1.84 4.05 -1.26 -4.26 115.26 109.99 2dmm n ASN 45 Ca 0.52 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 55.40 2dmm n ASN 45 Cb 1.27 0.27 -0.15 0.00 1.23 0.00 0.00 39.78 42.40 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 2dmm s LYS 46 N -1.62 0.19 0.33 1.20 -2.85 -1.26 -5.09 119.74 110.65 2dmm s LYS 46 Ca 0.00 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 54.66 2dmm s LYS 46 Cb 0.00 -0.25 -0.12 0.00 -2.06 0.00 0.00 37.83 35.40 2dmm s LYS 46 CO 0.00 -0.01 1.38 -0.25 0.10 0.00 0.00 175.35 176.57 2dmm n ASP 47 N 3.36 3.09 -4.13 0.03 8.00 -0.66 -4.82 116.55 121.42 2dmm n ASP 47 Ca -0.17 1.19 -0.09 0.00 0.71 0.00 0.00 54.79 56.43 2dmm n ASP 47 Cb 0.56 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 2dmm n ASP 47 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dmm s VAL 48 N -0.81 0.51 -0.02 2.53 1.01 -1.12 -1.92 120.40 120.58 2dmm s VAL 48 Ca 0.58 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2dmm s VAL 48 Cb -0.55 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2dmm s VAL 48 CO 0.59 -0.88 0.03 -0.22 0.00 0.00 0.00 175.10 174.62 2dmm s LEU 49 N -2.87 1.25 -0.02 3.92 2.96 -1.00 -1.96 118.68 120.97 2dmm s LEU 49 Ca 0.08 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 2dmm s LEU 49 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 2dmm s LEU 49 CO -0.06 -0.10 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.17 2dmm s ILE 50 N 0.85 2.73 -0.15 6.68 1.10 -1.20 -1.87 121.20 129.33 2dmm s ILE 50 Ca -0.07 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.13 2dmm s ILE 50 Cb -0.10 -2.06 0.03 0.00 0.15 0.00 0.00 42.46 40.47 2dmm s ILE 50 CO -0.02 0.52 -0.12 -0.70 -2.11 0.00 0.00 174.94 172.51 2dmm s GLU 51 N -0.89 2.08 -0.44 3.50 2.12 -1.14 -1.44 118.70 122.50 2dmm s GLU 51 Ca 0.12 -0.56 -0.16 0.00 0.36 0.00 0.00 54.97 54.73 2dmm s GLU 51 Cb -0.10 -2.08 0.04 0.00 0.26 0.00 0.00 34.13 32.24 2dmm s GLU 51 CO 0.01 -0.29 0.38 -0.06 -0.54 0.00 0.00 175.26 174.76 2dmm s PHE 52 N 1.51 3.21 0.50 5.30 0.08 0.11 -0.21 117.98 128.49 2dmm s PHE 52 Ca 0.04 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2dmm s PHE 52 Cb -0.14 -2.87 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2dmm s PHE 52 CO -0.10 -0.70 0.16 2.48 -0.10 0.00 0.00 175.22 176.96 2dmm n TYR 53 N 5.33 0.39 -4.25 0.36 0.18 -1.13 -1.48 117.16 116.56 2dmm n TYR 53 Ca -0.10 -2.31 -0.20 0.00 1.88 0.00 0.00 57.90 57.17 2dmm n TYR 53 Cb 0.46 -0.36 -0.16 0.00 -0.38 0.00 0.00 39.34 38.90 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 -2.80 0.72 -1.90 -3.48 0.00 -1.26 -3.76 121.76 109.28 2dmm s ALA 54 Ca 0.12 -0.17 0.15 0.00 0.00 0.00 0.00 51.96 52.07 2dmm s ALA 54 Cb -0.01 -0.35 0.90 0.00 0.00 0.00 0.00 23.12 23.66 2dmm s ALA 54 CO 0.08 0.06 1.36 -0.35 0.00 0.00 0.00 175.76 176.90 2dmm n PRO 55 N 3.65 0.44 0.00 0.00 -0.04 -1.26 -1.96 135.00 135.83 2dmm n PRO 55 Ca -0.22 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2dmm n PRO 55 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.05 0.00 -3.72 0.54 4.27 -1.26 -5.03 117.44 111.19 2dmm n TRP 56 Ca 0.11 -0.20 -0.35 0.00 -3.89 0.00 0.00 57.50 53.17 2dmm n TRP 56 Cb 0.06 -0.02 -0.08 0.00 -1.36 0.00 0.00 31.31 29.91 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 6.76 0.32 -0.07 0.00 0.00 -1.96 -3.14 103.07 104.98 2dmm h GLY 58 Ca -0.41 -0.58 0.26 0.00 0.00 0.00 0.00 47.33 46.61 2dmm h GLY 58 CO 0.75 0.51 0.78 0.45 0.00 0.00 0.00 176.54 179.03 2dmm h HIS 59 N -0.32 0.00 0.16 5.60 3.86 -1.96 0.24 115.15 122.72 2dmm h HIS 59 Ca -0.06 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.95 2dmm h HIS 59 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 2dmm h HIS 59 CO 0.17 0.00 -0.91 0.00 0.86 0.00 0.00 177.93 178.05 2dmm h LYS 61 N -0.31 0.78 0.00 0.00 1.57 -0.52 0.73 116.57 118.83 2dmm h LYS 61 Ca -0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2dmm h LYS 61 Cb 1.71 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.84 2dmm h LYS 61 CO 0.17 0.52 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.56 2dmm h ASN 62 N 0.80 0.00 0.49 0.86 -1.24 -1.48 -2.80 115.58 112.21 2dmm h ASN 62 Ca 0.40 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.30 2dmm h ASN 62 Cb 0.35 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 2dmm h ASN 62 CO -0.24 0.03 -1.60 -0.11 -1.29 0.00 0.00 177.43 174.22 2dmm n LEU 63 N -3.13 0.50 -0.28 0.34 7.94 0.40 -4.41 117.00 118.35 2dmm n LEU 63 Ca 0.01 0.21 -0.04 0.00 -1.11 0.00 0.00 56.01 55.07 2dmm n LEU 63 Cb 0.32 0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.32 2dmm n LEU 63 CO 0.28 0.06 0.36 1.21 -1.11 0.00 0.00 177.39 178.20 2dmm n GLU 64 N -2.64 -0.23 0.19 1.96 2.13 0.23 0.24 120.64 122.52 2dmm n GLU 64 Ca -0.09 1.05 0.05 0.00 0.66 0.00 0.00 57.16 58.83 2dmm n GLU 64 Cb 0.73 -1.54 0.39 0.00 0.27 0.00 0.00 31.44 31.28 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 -0.02 5.31 0.13 -1.78 0.43 132.00 136.07 2dmm h PRO 65 Ca 0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 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 -0.66 0.36 -0.62 0.87 -0.23 0.00 0.00 178.00 177.71 2dmm h LYS 66 N 0.00 0.08 0.05 0.86 1.79 0.28 -2.78 116.57 116.86 2dmm h LYS 66 Ca -0.00 -0.06 -0.38 0.00 -2.18 0.00 0.00 60.65 58.03 2dmm h LYS 66 Cb 0.76 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.38 2dmm h LYS 66 CO 0.05 0.68 -2.28 0.98 -1.08 0.00 0.00 179.45 177.80 2dmm n TYR 67 N -3.82 0.52 -0.26 -1.35 9.36 0.12 -3.93 117.16 117.80 2dmm n TYR 67 Ca -0.02 0.11 0.01 0.00 3.32 0.00 0.00 57.90 61.32 2dmm n TYR 67 Cb 0.62 -1.07 0.14 0.00 -0.63 0.00 0.00 39.34 38.40 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 0.02 0.70 -0.09 2.98 3.11 -0.22 -2.49 116.57 120.59 2dmm h LYS 68 Ca -0.52 -0.04 0.04 0.00 -2.81 0.00 0.00 60.65 57.32 2dmm h LYS 68 Cb 1.95 -0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 32.97 2dmm h LYS 68 CO -0.02 0.46 -0.23 0.93 -2.81 0.00 0.00 179.45 177.78 2dmm h GLU 69 N 0.72 -0.31 -1.11 1.90 5.08 -1.69 -1.18 114.58 118.00 2dmm h GLU 69 Ca 0.35 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 59.10 2dmm h GLU 69 Cb 0.30 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 2dmm h GLU 69 CO -0.23 -0.20 0.67 1.25 -1.00 0.00 0.00 179.01 179.49 2dmm h LEU 70 N -0.32 0.39 0.47 1.33 5.85 -1.62 0.60 115.31 122.01 2dmm h LEU 70 Ca 0.09 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2dmm h LEU 70 Cb 0.44 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2dmm h LEU 70 CO -0.27 -0.18 -0.23 1.23 -0.34 0.00 0.00 178.44 178.65 2dmm h GLY 71 N 0.20 -0.66 2.00 3.75 0.00 -1.19 0.35 103.07 107.52 2dmm h GLY 71 Ca 0.77 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 48.34 2dmm h GLY 71 CO -0.55 -0.24 -0.02 1.05 0.00 0.00 0.00 176.54 176.79 2dmm h GLU 72 N -0.71 0.00 0.11 4.80 4.11 -1.16 -0.27 114.58 121.46 2dmm h GLU 72 Ca -0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.20 2dmm h GLU 72 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2dmm h GLU 72 CO 0.11 0.02 -0.70 0.87 0.07 0.00 0.00 179.01 179.37 2dmm h LYS 73 N 0.00 0.29 -0.03 1.06 1.79 0.28 -3.26 116.57 116.70 2dmm h LYS 73 Ca -0.00 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2dmm h LYS 73 Cb 0.16 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2dmm h LYS 73 CO 0.00 1.20 0.00 1.28 -1.08 0.00 0.00 179.45 180.85 2dmm n LEU 74 N -4.19 0.64 -0.50 2.94 4.77 0.12 -4.18 117.00 116.61 2dmm n LEU 74 Ca -0.13 -0.24 0.43 0.00 -0.03 0.00 0.00 56.01 56.04 2dmm n LEU 74 Cb 0.77 -0.02 0.66 0.00 -2.33 0.00 0.00 43.42 42.50 2dmm n LEU 74 CO 0.47 0.12 1.39 0.28 -1.33 0.00 0.00 177.39 178.32 2dmm h SER 75 N 0.95 0.00 -0.21 -1.43 0.02 -1.10 2.01 113.55 113.79 2dmm h SER 75 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2dmm h SER 75 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2dmm h SER 75 CO 0.00 0.00 0.09 1.17 -1.14 0.00 0.00 176.83 176.95 2dmm n LYS 76 N -3.64 1.60 -3.45 3.45 0.00 -1.26 -4.70 118.16 110.16 2dmm n LYS 76 Ca 0.35 -0.77 -0.43 0.00 0.00 0.00 0.00 58.31 57.46 2dmm n LYS 76 Cb 1.81 -1.47 -0.05 0.00 0.00 0.00 0.00 35.03 35.32 2dmm n LYS 76 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2dmm s ASP 77 N 0.16 6.16 0.00 3.14 -4.77 0.68 -4.90 116.67 117.14 2dmm s ASP 77 Ca 0.14 -2.46 0.15 0.00 -3.30 0.00 0.00 52.55 47.08 2dmm s ASP 77 Cb 0.11 -2.10 0.88 0.00 -1.09 0.00 0.00 42.92 40.73 2dmm s ASP 77 CO 0.03 -0.59 1.30 -0.81 0.70 0.00 0.00 175.17 175.80 2dmm n PRO 78 N 4.22 0.49 0.00 2.11 -0.04 -1.26 -3.33 135.00 137.19 2dmm n PRO 78 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2dmm n PRO 78 Cb 0.43 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.97 1.80 -4.83 3.54 3.02 -1.26 -5.03 115.26 111.54 2dmm n ASN 79 Ca 0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 2dmm n ASN 79 Cb 0.05 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.92 4.69 -0.22 2.41 1.01 -1.21 -1.65 121.20 124.31 2dmm s ILE 80 Ca 0.00 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 2dmm s ILE 80 Cb 0.00 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.73 2dmm s ILE 80 CO 0.00 0.23 0.07 -0.69 0.00 0.00 0.00 174.94 174.55 2dmm s VAL 81 N -1.49 0.37 0.07 2.92 1.01 -0.81 -4.63 120.40 117.85 2dmm s VAL 81 Ca 0.40 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 2dmm s VAL 81 Cb -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2dmm s VAL 81 CO 0.20 -0.35 1.11 -0.63 0.00 0.00 0.00 175.10 175.43 2dmm s ILE 82 N 1.91 4.23 0.28 2.22 -1.09 -1.26 -2.36 121.20 125.12 2dmm s ILE 82 Ca 0.02 1.67 -0.04 0.00 -2.23 0.00 0.00 60.65 60.08 2dmm s ILE 82 Cb -0.17 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2dmm s ILE 82 CO -0.14 0.17 0.35 0.00 -1.23 0.00 0.00 174.94 174.09 2dmm s ALA 83 N 0.72 0.74 0.07 9.38 0.00 -0.78 -1.57 121.76 130.32 2dmm s ALA 83 Ca 0.55 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2dmm s ALA 83 Cb -0.27 1.24 0.01 0.00 0.00 0.00 0.00 23.12 24.10 2dmm s ALA 83 CO 0.30 -0.74 0.25 -1.59 0.00 0.00 0.00 175.76 173.98 2dmm s LYS 84 N -3.67 0.83 -0.04 0.00 -2.85 -0.07 -2.89 119.74 111.06 2dmm s LYS 84 Ca 0.32 -0.74 -0.14 0.00 -1.00 0.00 0.00 55.97 54.41 2dmm s LYS 84 Cb 0.02 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.16 2dmm s LYS 84 CO 0.16 -0.27 0.32 1.41 0.10 0.00 0.00 175.35 177.06 2dmm s MET 85 N -3.25 0.62 -0.57 1.78 1.75 0.71 -0.88 119.30 119.46 2dmm s MET 85 Ca 0.00 -0.07 -0.17 0.00 -1.25 0.00 0.00 55.69 54.20 2dmm s MET 85 Cb 0.02 0.28 0.12 0.00 2.84 0.00 0.00 34.83 38.09 2dmm s MET 85 CO -0.08 -0.16 0.60 0.34 -0.65 0.00 0.00 175.02 175.07 2dmm s ASP 86 N -1.04 6.21 0.32 1.11 2.15 -1.26 -2.85 116.67 121.30 2dmm s ASP 86 Ca -0.11 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.20 2dmm s ASP 86 Cb -0.05 -2.25 0.53 0.00 -0.30 0.00 0.00 42.92 40.85 2dmm s ASP 86 CO 0.04 -0.96 1.96 0.00 -0.17 0.00 0.00 175.17 176.03 2dmm h ALA 87 N 8.98 1.43 0.00 3.66 0.00 -1.71 1.39 119.26 133.02 2dmm h ALA 87 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2dmm h ALA 87 Cb 1.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dmm h ALA 87 CO 1.06 0.48 0.00 1.79 0.00 0.00 0.00 179.25 182.58 2dmm h THR 88 N 0.91 0.00 0.00 0.00 1.35 -1.91 -2.66 112.91 110.60 2dmm h THR 88 Ca 0.24 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2dmm h THR 88 Cb -0.02 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2dmm h THR 88 CO -0.04 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.02 2dmm n ALA 89 N -1.93 2.27 -3.60 6.62 0.00 -0.34 -4.95 120.51 118.58 2dmm n ALA 89 Ca -0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 2dmm n ALA 89 Cb 0.18 -0.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.31 2.66 0.18 0.00 0.01 0.46 -3.98 114.94 112.97 2dmm s ASN 90 Ca 0.01 -0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 51.07 2dmm s ASN 90 Cb 0.02 -0.29 -0.17 0.00 0.41 0.00 0.00 41.25 41.22 2dmm s ASN 90 CO 0.09 -0.37 0.73 -0.67 -1.51 0.00 0.00 177.10 175.37 2dmm n ASP 91 N 5.26 -0.45 -4.70 -1.22 2.03 -1.07 -4.08 116.55 112.32 2dmm n ASP 91 Ca -0.07 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.96 2dmm n ASP 91 Cb 0.47 -1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.79 4.85 0.00 5.18 1.01 -1.26 -4.78 120.40 124.61 2dmm s VAL 92 Ca 0.68 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.67 2dmm s VAL 92 Cb -0.94 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.15 2dmm s VAL 92 CO 0.56 0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.96 2dmm n PRO 93 N 4.29 -0.14 -4.28 2.72 -0.04 -1.25 -4.82 135.00 131.48 2dmm n PRO 93 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2dmm n PRO 93 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 2dmm n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmm s SER 94 N -1.51 2.29 0.00 3.54 0.15 -1.26 -2.90 113.70 114.01 2dmm s SER 94 Ca 0.00 -0.82 0.15 0.00 0.70 0.00 0.00 55.95 55.97 2dmm s SER 94 Cb 0.00 -0.11 0.73 0.00 -1.71 0.00 0.00 66.02 64.94 2dmm s SER 94 CO 0.00 -0.09 1.41 -0.81 1.20 0.00 0.00 173.24 174.95 2dmm n PRO 95 N 0.47 0.19 -0.93 5.44 -0.04 -1.26 -4.60 135.00 134.28 2dmm n PRO 95 Ca -0.15 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 2dmm n PRO 95 Cb 0.57 -1.50 -0.03 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 -1.30 -0.13 -3.66 0.54 4.02 -1.14 -4.96 117.16 110.52 2dmm n TYR 96 Ca 0.07 0.65 -0.09 0.00 -0.01 0.00 0.00 57.90 58.51 2dmm n TYR 96 Cb 0.12 -1.30 -0.10 0.00 -0.02 0.00 0.00 39.34 38.04 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2dmm s GLU 97 N -0.48 0.31 -0.31 -0.72 2.02 -1.26 -4.51 118.70 113.74 2dmm s GLU 97 Ca 0.46 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 56.41 2dmm s GLU 97 Cb -0.66 0.27 0.05 0.00 0.10 0.00 0.00 34.13 33.88 2dmm s GLU 97 CO 0.37 -0.25 0.02 0.08 0.02 0.00 0.00 175.26 175.50 2dmm s VAL 98 N 2.49 3.19 -0.26 2.63 1.01 -1.26 -4.95 120.40 123.25 2dmm s VAL 98 Ca -0.02 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 2dmm s VAL 98 Cb -0.12 -2.82 -0.14 0.00 0.00 0.00 0.00 36.38 33.31 2dmm s VAL 98 CO -0.12 -0.12 -0.29 -1.14 0.00 0.00 0.00 175.10 173.43 2dmm n ARG 99 N 4.67 0.59 -4.35 2.72 0.00 -1.26 -4.98 116.66 114.05 2dmm n ARG 99 Ca -0.13 0.20 -0.21 0.00 -0.00 0.00 0.00 57.85 57.71 2dmm n ARG 99 Cb 0.44 -1.47 -0.16 0.00 0.00 0.00 0.00 32.46 31.26 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 -5.92 0.56 0.20 5.14 0.00 -1.26 -5.15 107.32 100.89 2dmm s GLY 100 Ca -0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 2dmm s GLY 100 CO 0.52 0.17 0.39 -1.36 0.00 0.00 0.00 173.10 172.82 2dmm s PHE 101 N 0.59 3.48 0.76 1.90 0.40 -1.26 -4.09 117.98 119.77 2dmm s PHE 101 Ca -0.09 0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 2dmm s PHE 101 Cb -0.13 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.62 2dmm s PHE 101 CO 0.01 0.38 1.09 -1.25 0.70 0.00 0.00 175.22 176.15 2dmm s PRO 102 N -3.37 2.30 -0.16 0.24 0.04 -1.26 -5.05 135.00 127.75 2dmm s PRO 102 Ca 0.38 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 2dmm s PRO 102 Cb -0.11 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2dmm s PRO 102 CO 0.29 -1.61 0.06 0.99 0.04 0.00 0.00 177.00 176.77 2dmm s THR 103 N -2.85 0.13 -0.14 1.26 2.01 -0.55 -5.06 115.64 110.45 2dmm s THR 103 Ca 0.62 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 2dmm s THR 103 Cb -0.17 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2dmm s THR 103 CO 0.55 -0.18 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 2dmm s ILE 104 N 2.04 3.77 0.32 1.82 1.01 -1.26 0.07 121.20 128.97 2dmm s ILE 104 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2dmm s ILE 104 Cb -0.16 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 2dmm s ILE 104 CO -0.08 0.52 0.03 -1.22 0.00 0.00 0.00 174.94 174.19 2dmm n TYR 105 N 3.27 0.58 -3.69 3.97 4.01 -0.52 -1.62 117.16 123.16 2dmm n TYR 105 Ca -0.18 -1.69 -0.11 0.00 -0.16 0.00 0.00 57.90 55.77 2dmm n TYR 105 Cb 0.53 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 2dmm n TYR 105 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2dmm s PHE 106 N -2.32 -0.64 -0.60 -0.72 5.36 0.36 -3.24 117.98 116.18 2dmm s PHE 106 Ca 0.04 1.38 -0.12 0.00 -0.96 0.00 0.00 56.93 57.27 2dmm s PHE 106 Cb 0.00 0.29 0.15 0.00 -0.34 0.00 0.00 43.02 43.13 2dmm s PHE 106 CO 0.03 -0.34 0.51 0.45 -1.46 0.00 0.00 175.22 174.41 2dmm s SER 107 N 1.17 6.08 0.97 6.13 0.15 -0.83 -1.49 113.70 125.89 2dmm s SER 107 Ca -0.08 -2.19 -0.12 0.00 0.70 0.00 0.00 55.95 54.26 2dmm s SER 107 Cb -0.07 -2.11 0.17 0.00 -1.71 0.00 0.00 66.02 62.31 2dmm s SER 107 CO -0.11 -0.68 1.09 -2.16 1.20 0.00 0.00 173.24 172.59 2dmm s PRO 108 N 0.96 0.62 0.02 5.44 0.04 -1.26 -2.79 135.00 138.03 2dmm s PRO 108 Ca 0.09 0.60 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 2dmm s PRO 108 Cb -0.22 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2dmm s PRO 108 CO -0.02 -2.62 0.66 0.00 0.04 0.00 0.00 177.00 175.06 2dmm s ALA 109 N -2.95 3.45 -1.46 8.56 0.00 -1.26 -3.83 121.76 124.27 2dmm s ALA 109 Ca 0.65 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2dmm s ALA 109 Cb -0.18 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2dmm s ALA 109 CO 0.57 0.14 0.00 0.09 0.00 0.00 0.00 175.76 176.57 2dmm n ASN 110 N 2.68 -4.39 -0.39 0.00 3.02 -1.26 -4.78 115.26 110.14 2dmm n ASN 110 Ca -0.05 0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.78 2dmm n ASN 110 Cb 0.51 -3.82 0.08 0.00 -0.61 0.00 0.00 39.78 35.93 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 -2.51 0.70 -0.32 3.52 5.02 -1.25 -4.83 118.16 118.48 2dmm n LYS 111 Ca -0.17 -1.96 0.13 0.00 -2.02 0.00 0.00 58.31 54.29 2dmm n LYS 111 Cb 0.58 -1.00 0.31 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.16 0.52 -1.00 1.97 6.56 -1.87 0.18 116.57 123.09 2dmm h LYS 112 Ca -0.02 -0.03 0.17 0.00 -1.06 0.00 0.00 60.65 59.71 2dmm h LYS 112 Cb 1.23 -0.12 -0.10 0.00 -0.57 0.00 0.00 32.23 32.67 2dmm h LYS 112 CO 0.01 0.34 0.62 -0.07 -2.06 0.00 0.00 179.45 178.29 2dmm h LEU 113 N 0.53 0.82 -6.98 2.94 -0.00 -1.95 -3.34 115.31 107.33 2dmm h LEU 113 Ca 0.57 0.08 -0.57 0.00 -0.00 0.00 0.00 57.88 57.95 2dmm h LEU 113 Cb 1.01 -0.08 -0.40 0.00 -0.00 0.00 0.00 40.66 41.19 2dmm h LEU 113 CO -0.46 0.34 -0.77 0.20 -0.00 0.00 0.00 178.44 177.75 2dmm s ASN 114 N -5.52 3.75 1.02 -0.43 0.01 0.61 -4.92 114.94 109.45 2dmm s ASN 114 Ca -0.11 -1.70 -0.01 0.00 -0.71 0.00 0.00 52.86 50.33 2dmm s ASN 114 Cb 0.24 -0.69 0.02 0.00 0.41 0.00 0.00 41.25 41.23 2dmm s ASN 114 CO 0.80 -0.40 0.07 -0.81 -1.51 0.00 0.00 177.10 175.26 2dmm n PRO 115 N 4.75 -1.17 -4.13 -0.60 -0.04 -1.19 -4.84 135.00 127.78 2dmm n PRO 115 Ca -0.01 -0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 2dmm n PRO 115 Cb 0.41 -0.11 -0.15 0.00 -0.04 0.00 0.00 33.50 33.62 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 -3.16 0.41 -0.11 0.54 -0.14 -0.56 -4.98 119.74 111.74 2dmm s LYS 116 Ca 0.05 -0.16 -0.03 0.00 -1.36 0.00 0.00 55.97 54.47 2dmm s LYS 116 Cb -0.00 -0.40 -0.03 0.00 -1.68 0.00 0.00 37.83 35.71 2dmm s LYS 116 CO 0.03 0.09 -0.00 0.21 -0.76 0.00 0.00 175.35 174.92 2dmm s LYS 117 N -0.02 3.20 -0.52 1.68 2.20 -1.26 0.14 119.74 125.16 2dmm s LYS 117 Ca 0.01 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 2dmm s LYS 117 Cb -0.03 -2.85 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 2dmm s LYS 117 CO -0.00 0.57 1.23 -0.47 -0.36 0.00 0.00 175.35 176.32 2dmm s TYR 118 N -0.51 2.61 -0.41 4.03 6.14 -0.64 -4.92 117.35 123.65 2dmm s TYR 118 Ca 0.09 0.56 0.03 0.00 0.64 0.00 0.00 57.07 58.38 2dmm s TYR 118 Cb -0.12 -4.45 0.12 0.00 0.42 0.00 0.00 41.96 37.92 2dmm s TYR 118 CO 0.02 -1.59 0.15 -1.21 0.64 0.00 0.00 175.55 173.57 2dmm s GLU 119 N 4.86 1.45 0.00 4.97 0.41 -1.26 -4.70 118.70 124.43 2dmm s GLU 119 Ca 0.48 -1.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.07 2dmm s GLU 119 Cb -0.09 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 2dmm s GLU 119 CO 0.29 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.43 2dmm n GLY 120 N 3.89 1.66 3.71 -1.39 0.00 -1.26 -5.13 105.19 106.66 2dmm n GLY 120 Ca 0.04 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 2.41 0.00 -0.02 0.00 -1.26 -4.95 107.32 103.50 2dmm s GLY 121 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.60 2dmm s GLY 121 CO 0.00 1.07 3.51 0.54 0.00 0.00 0.00 173.10 178.22 2dmm n ARG 122 N 4.03 1.92 -4.71 2.90 1.74 -1.26 -4.44 116.66 116.85 2dmm n ARG 122 Ca -0.03 -0.94 -0.33 0.00 -0.77 0.00 0.00 57.85 55.78 2dmm n ARG 122 Cb 0.51 -1.95 -0.13 0.00 -1.02 0.00 0.00 32.46 29.87 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 0.98 3.25 0.19 5.56 2.56 -1.26 -4.97 118.70 125.01 2dmm s GLU 123 Ca 0.63 -0.64 -0.08 0.00 0.00 0.00 0.00 54.97 54.88 2dmm s GLU 123 Cb 0.30 -2.65 0.27 0.00 2.00 0.00 0.00 34.13 34.06 2dmm s GLU 123 CO 0.00 0.33 1.12 -0.11 -0.56 0.00 0.00 175.26 176.04 2dmm n LEU 124 N 3.21 -0.34 0.16 2.70 -0.00 -1.25 0.58 117.00 122.06 2dmm n LEU 124 Ca -0.18 1.25 -0.14 0.00 -0.00 0.00 0.00 56.01 56.94 2dmm n LEU 124 Cb 0.53 -0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 43.52 2dmm n LEU 124 CO 0.30 -1.17 0.69 0.77 -0.00 0.00 0.00 177.39 177.98 2dmm h SER 125 N 0.00 -0.32 -1.20 1.96 4.64 -1.95 -2.71 113.55 113.97 2dmm h SER 125 Ca 0.31 -0.09 0.38 0.00 -0.47 0.00 0.00 61.79 61.92 2dmm h SER 125 Cb 0.49 0.08 -0.12 0.00 -0.31 0.00 0.00 62.40 62.54 2dmm h SER 125 CO -0.73 -0.09 0.77 0.44 -0.87 0.00 0.00 176.83 176.34 2dmm h ASP 126 N -0.53 0.32 -0.28 4.97 5.19 -0.13 0.58 116.42 126.54 2dmm h ASP 126 Ca -0.04 0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 2dmm h ASP 126 Cb 0.39 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2dmm h ASP 126 CO 0.06 -0.11 -0.19 -0.26 -3.12 0.00 0.00 179.24 175.62 2dmm h PHE 127 N 0.19 0.73 0.39 4.55 0.04 -0.91 -2.03 116.94 119.91 2dmm h PHE 127 Ca 0.75 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 61.31 2dmm h PHE 127 Cb 2.19 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 40.17 2dmm h PHE 127 CO -0.01 0.89 -0.33 0.82 -0.60 0.00 0.00 178.31 179.08 2dmm h ILE 128 N 0.37 0.00 -0.84 -0.55 2.04 0.37 -1.91 117.51 116.99 2dmm h ILE 128 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 2dmm h ILE 128 Cb 0.72 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2dmm h ILE 128 CO 0.05 0.00 0.55 -1.28 0.00 0.00 0.00 178.15 177.47 2dmm h SER 129 N -0.71 0.61 -0.17 1.72 0.87 -1.52 0.00 113.55 114.35 2dmm h SER 129 Ca -0.05 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2dmm h SER 129 Cb 0.60 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2dmm h SER 129 CO -0.01 0.33 -0.10 0.22 -0.53 0.00 0.00 176.83 176.74 2dmm h TYR 130 N 0.66 -0.24 -0.23 2.24 5.03 -0.95 -2.58 116.97 120.89 2dmm h TYR 130 Ca 0.41 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.59 2dmm h TYR 130 Cb 0.66 0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2dmm h TYR 130 CO -0.00 -0.15 -0.43 -0.07 -1.32 0.00 0.00 178.16 176.18 2dmm h LEU 131 N -0.09 0.78 -0.98 2.82 3.38 -0.55 -0.14 115.31 120.53 2dmm h LEU 131 Ca 0.10 -0.54 0.32 0.00 0.09 0.00 0.00 57.88 57.85 2dmm h LEU 131 Cb 0.24 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 2dmm h LEU 131 CO -0.23 1.17 0.45 1.56 0.09 0.00 0.00 178.44 181.48 2dmm h GLN 132 N 0.41 0.21 0.00 1.13 1.08 -0.70 0.55 115.11 117.78 2dmm h GLN 132 Ca 0.01 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 2dmm h GLN 132 Cb 1.03 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 2dmm h GLN 132 CO 0.10 0.14 -1.20 2.89 -0.95 0.00 0.00 178.83 179.80 2dmm n ARG 133 N -5.16 0.54 0.11 1.46 1.85 -1.00 -4.56 116.66 109.89 2dmm n ARG 133 Ca 0.30 0.51 -0.12 0.00 -1.00 0.00 0.00 57.85 57.54 2dmm n ARG 133 Cb 0.97 -1.69 -0.07 0.00 -1.05 0.00 0.00 32.46 30.61 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 -1.00 -0.56 -4.83 2.89 4.39 -0.55 -3.41 114.58 111.52 2dmm h GLU 134 Ca -0.28 0.04 -0.56 0.00 0.34 0.00 0.00 59.36 58.89 2dmm h GLU 134 Cb 1.12 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 2dmm h GLU 134 CO -0.17 -0.37 1.32 0.00 -1.16 0.00 0.00 179.01 178.63 2dmm n ALA 135 N -2.76 0.22 -0.10 3.43 0.00 0.19 -4.77 120.51 116.71 2dmm n ALA 135 Ca -0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2dmm n ALA 135 Cb 0.30 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 6.49 0.36 -0.08 0.00 1.03 -1.87 -2.38 112.91 116.47 2dmm h THR 136 Ca -0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.13 2dmm h THR 136 Cb 1.19 0.36 0.01 0.00 -1.07 0.00 0.00 68.15 68.64 2dmm h THR 136 CO 1.07 0.00 -0.76 -1.28 -0.01 0.00 0.00 175.52 174.54 2dmm h SER 137 N -0.19 0.80 -3.64 0.00 0.87 -1.95 -3.50 113.55 105.95 2dmm h SER 137 Ca 0.18 -0.68 0.33 0.00 -1.23 0.00 0.00 61.79 60.38 2dmm h SER 137 Cb 0.47 -0.24 -0.17 0.00 -0.44 0.00 0.00 62.40 62.02 2dmm h SER 137 CO -0.48 1.36 -1.14 0.61 -0.53 0.00 0.00 176.83 176.66 2dmm n GLY 138 N 0.87 -3.24 3.63 5.77 0.00 -0.90 -4.69 105.19 106.63 2dmm n GLY 138 Ca -0.09 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.06 3.77 0.38 1.61 0.04 -1.26 -4.95 135.00 130.53 2dmm s PRO 139 Ca 0.00 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.74 2dmm s PRO 139 Cb 0.00 -4.04 -0.07 0.00 0.04 0.00 0.00 34.50 30.43 2dmm s PRO 139 CO 0.00 -1.32 -0.00 -1.54 0.04 0.00 0.00 177.00 174.18 2dmm s SER 140 N 4.28 3.55 0.18 6.66 1.04 -1.26 -5.16 113.70 122.99 2dmm s SER 140 Ca 0.71 -1.33 0.09 0.00 0.48 0.00 0.00 55.95 55.90 2dmm s SER 140 Cb -0.24 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 2dmm s SER 140 CO 0.29 -0.43 -0.14 -0.55 0.98 0.00 0.00 173.24 173.39 2dmm s SER 141 N -3.64 4.02 0.00 7.02 0.15 -1.26 -5.01 113.70 114.98 2dmm s SER 141 Ca 0.35 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2dmm s SER 141 Cb 0.08 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2dmm s SER 141 CO 0.17 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.34