#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 6.38 -0.75 1.61 0.15 -1.26 -5.04 113.70 114.79 2dmm s SER 2 Ca 0.00 0.33 -0.25 0.00 0.70 0.00 0.00 55.95 56.73 2dmm s SER 2 Cb 0.00 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.38 2dmm s SER 2 CO 0.00 0.06 1.19 -0.44 1.20 0.00 0.00 173.24 175.25 2dmm s SER 3 N -2.88 6.21 -0.60 5.45 0.01 -1.26 -4.92 113.70 115.71 2dmm s SER 3 Ca 0.37 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.90 2dmm s SER 3 Cb -0.12 -2.51 0.21 0.00 0.21 0.00 0.00 66.02 63.81 2dmm s SER 3 CO 0.28 -1.65 0.57 0.61 0.41 0.00 0.00 173.24 173.46 2dmm n GLY 4 N 5.51 3.92 0.37 3.44 0.00 -1.26 -4.95 105.19 112.22 2dmm n GLY 4 Ca 0.04 -2.36 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 2dmm n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmm h SER 5 N 4.79 -0.76 -6.32 1.61 0.02 -2.07 -3.47 113.55 107.36 2dmm h SER 5 Ca 0.17 0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.68 2dmm h SER 5 Cb 0.76 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 2dmm h SER 5 CO 0.68 -0.39 -0.79 -0.24 -1.14 0.00 0.00 176.83 174.95 2dmm n SER 6 N -5.22 -3.74 -2.68 3.07 2.88 -1.26 -4.96 113.62 101.71 2dmm n SER 6 Ca -0.11 -0.82 -0.14 0.00 -1.33 0.00 0.00 58.87 56.47 2dmm n SER 6 Cb 0.35 -3.76 -0.04 0.00 -0.75 0.00 0.00 64.21 60.01 2dmm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmm n GLY 7 N -1.66 3.49 3.57 0.46 0.00 -1.26 -4.89 105.19 104.89 2dmm n GLY 7 Ca -0.04 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 2dmm n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmm n PHE 8 N -0.48 -2.62 -4.62 1.61 3.72 -1.26 -5.00 117.46 108.81 2dmm n PHE 8 Ca -0.00 0.98 -0.27 0.00 -0.05 0.00 0.00 57.45 58.11 2dmm n PHE 8 Cb 0.37 -4.98 -0.17 0.00 -0.94 0.00 0.00 39.48 33.76 2dmm n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2dmm s ASP 9 N -3.68 2.24 0.89 4.37 1.01 -1.26 -5.13 116.67 115.12 2dmm s ASP 9 Ca 0.39 -0.39 -0.13 0.00 0.71 0.00 0.00 52.55 53.13 2dmm s ASP 9 Cb -0.17 -1.01 0.03 0.00 1.01 0.00 0.00 42.92 42.77 2dmm s ASP 9 CO 0.74 0.04 0.50 0.61 0.21 0.00 0.00 175.17 177.27 2dmm n GLY 10 N 3.94 -1.73 1.27 0.21 0.00 -1.26 -4.92 105.19 102.71 2dmm n GLY 10 Ca -0.21 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.29 3.68 -4.08 1.61 2.85 -1.26 -4.96 115.26 111.81 2dmm n ASN 11 Ca 0.08 -3.31 -0.28 0.00 -0.11 0.00 0.00 54.58 50.96 2dmm n ASN 11 Cb 0.52 -0.63 -0.08 0.00 1.24 0.00 0.00 39.78 40.84 2dmm n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dmm n LEU 12 N -0.64 -0.77 -3.86 1.20 -0.00 -1.26 -4.84 117.00 106.83 2dmm n LEU 12 Ca 0.31 -1.11 -0.38 0.00 -0.00 0.00 0.00 56.01 54.82 2dmm n LEU 12 Cb 1.08 -1.38 -0.02 0.00 -0.00 0.00 0.00 43.42 43.10 2dmm n LEU 12 CO 0.25 0.43 0.78 2.29 -0.00 0.00 0.00 177.39 181.14 2dmm n LYS 13 N -4.15 3.79 -4.40 1.47 -0.00 -1.26 -4.37 118.16 109.24 2dmm n LYS 13 Ca -0.27 -4.58 -0.30 0.00 -0.00 0.00 0.00 58.31 53.16 2dmm n LYS 13 Cb 0.60 -2.44 -0.17 0.00 -0.00 0.00 0.00 35.03 33.03 2dmm n LYS 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dmm s ARG 14 N -2.57 2.40 0.21 -1.58 3.00 -1.26 -5.12 118.95 114.03 2dmm s ARG 14 Ca 0.33 -0.62 -0.21 0.00 0.00 0.00 0.00 55.73 55.23 2dmm s ARG 14 Cb 0.06 -2.05 0.04 0.00 0.00 0.00 0.00 34.95 33.01 2dmm s ARG 14 CO 0.05 -0.09 0.63 1.52 0.00 0.00 0.00 175.30 177.41 2dmm s TYR 15 N 1.07 -0.33 -0.14 -0.53 1.13 -1.26 -4.61 117.35 112.68 2dmm s TYR 15 Ca -0.04 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 55.64 2dmm s TYR 15 Cb -0.15 0.59 -0.10 0.00 -1.10 0.00 0.00 41.96 41.20 2dmm s TYR 15 CO -0.04 -1.01 -0.10 1.47 -2.51 0.00 0.00 175.55 173.36 2dmm n LEU 16 N -0.40 2.58 -4.58 -3.49 -0.00 -1.26 -5.02 117.00 104.82 2dmm n LEU 16 Ca -0.11 -0.07 -0.30 0.00 -0.00 0.00 0.00 56.01 55.54 2dmm n LEU 16 Cb 0.62 -0.39 -0.10 0.00 -0.00 0.00 0.00 43.42 43.55 2dmm n LEU 16 CO 0.14 0.68 -0.42 -0.75 -0.00 0.00 0.00 177.39 177.04 2dmm s LYS 17 N -2.28 2.17 -0.14 1.47 2.20 -1.26 -5.01 119.74 116.88 2dmm s LYS 17 Ca -0.17 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 2dmm s LYS 17 Cb 0.05 -2.33 0.08 0.00 -1.51 0.00 0.00 37.83 34.12 2dmm s LYS 17 CO 0.35 0.52 0.76 -1.54 -0.36 0.00 0.00 175.35 175.07 2dmm s SER 18 N -2.16 -0.63 0.33 1.43 1.04 -1.26 -2.47 113.70 109.97 2dmm s SER 18 Ca 0.21 0.89 -0.00 0.00 0.48 0.00 0.00 55.95 57.53 2dmm s SER 18 Cb -0.11 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 2dmm s SER 18 CO 0.14 -0.44 0.54 -1.61 0.98 0.00 0.00 173.24 172.84 2dmm s GLU 19 N -0.64 3.51 0.55 4.02 0.41 -1.25 -4.90 118.70 120.39 2dmm s GLU 19 Ca -0.06 -0.29 -0.19 0.00 -0.41 0.00 0.00 54.97 54.02 2dmm s GLU 19 Cb -0.02 -2.68 -0.06 0.00 -1.78 0.00 0.00 34.13 29.60 2dmm s GLU 19 CO 0.05 0.18 1.13 -1.25 -0.49 0.00 0.00 175.26 174.88 2dmm s PRO 20 N -4.13 3.33 0.06 0.39 0.04 -1.26 -4.17 135.00 129.26 2dmm s PRO 20 Ca 0.40 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2dmm s PRO 20 Cb -0.10 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2dmm s PRO 20 CO 0.35 -0.87 0.98 0.42 0.04 0.00 0.00 177.00 177.92 2dmm s ILE 21 N -1.80 4.65 1.10 0.56 -1.09 -1.26 -4.96 121.20 118.38 2dmm s ILE 21 Ca 0.72 2.04 -0.15 0.00 -2.23 0.00 0.00 60.65 61.03 2dmm s ILE 21 Cb -0.24 -4.31 0.24 0.00 -1.58 0.00 0.00 42.46 36.57 2dmm s ILE 21 CO 0.28 0.24 1.10 -2.16 -1.23 0.00 0.00 174.94 173.16 2dmm s PRO 22 N 0.49 -0.36 -0.19 2.79 0.04 -1.26 -5.01 135.00 131.51 2dmm s PRO 22 Ca 0.50 0.24 0.09 0.00 0.04 0.00 0.00 61.00 61.87 2dmm s PRO 22 Cb -0.23 -1.67 -0.22 0.00 0.04 0.00 0.00 34.50 32.42 2dmm s PRO 22 CO 0.29 -3.20 0.10 -0.85 0.04 0.00 0.00 177.00 173.38 2dmm n GLU 23 N -4.46 0.68 -3.81 4.56 0.28 -1.26 -4.96 120.64 111.67 2dmm n GLU 23 Ca 0.08 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 57.08 2dmm n GLU 23 Cb 0.58 -1.59 -0.14 0.00 1.43 0.00 0.00 31.44 31.73 2dmm n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2dmm s SER 24 N -6.10 -0.06 -0.25 -1.84 1.04 -1.26 -5.05 113.70 100.19 2dmm s SER 24 Ca -0.19 0.16 0.17 0.00 0.48 0.00 0.00 55.95 56.58 2dmm s SER 24 Cb 0.07 0.12 0.48 0.00 0.10 0.00 0.00 66.02 66.79 2dmm s SER 24 CO 0.75 -0.07 1.15 0.59 0.98 0.00 0.00 173.24 176.63 2dmm n ASN 25 N 3.53 2.68 -3.00 7.02 3.02 -1.26 -4.94 115.26 122.30 2dmm n ASN 25 Ca -0.19 -2.70 -0.30 0.00 -0.03 0.00 0.00 54.58 51.36 2dmm n ASN 25 Cb 0.56 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2dmm n ASP 26 N -0.58 7.36 -1.94 6.41 5.68 -1.26 -4.75 116.55 127.47 2dmm n ASP 26 Ca 0.20 -2.50 -0.02 0.00 -0.50 0.00 0.00 54.79 51.97 2dmm n ASP 26 Cb 0.88 -1.44 -0.01 0.00 -1.14 0.00 0.00 41.12 39.42 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dmm n GLY 27 N 3.37 4.10 0.26 6.12 0.00 -1.26 -5.06 105.19 112.72 2dmm n GLY 27 Ca 0.65 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.91 -4.95 1.61 0.13 -1.88 -3.42 132.00 124.40 2dmm h PRO 28 Ca -0.03 -0.48 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 2dmm h PRO 28 Cb 0.09 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 30.88 2dmm h PRO 28 CO 0.05 1.13 -0.84 0.08 -0.23 0.00 0.00 178.00 178.19 2dmm s VAL 29 N -4.40 2.02 0.43 1.56 1.01 -1.26 -3.70 120.40 116.06 2dmm s VAL 29 Ca -0.11 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 2dmm s VAL 29 Cb 0.11 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2dmm s VAL 29 CO 0.87 0.36 1.33 -0.54 0.00 0.00 0.00 175.10 177.13 2dmm s LYS 30 N 1.26 3.83 -0.27 2.72 -0.14 -0.45 -4.68 119.74 122.03 2dmm s LYS 30 Ca 0.01 2.22 -0.19 0.00 -1.36 0.00 0.00 55.97 56.65 2dmm s LYS 30 Cb -0.15 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 2dmm s LYS 30 CO -0.10 -0.63 0.56 0.08 -0.76 0.00 0.00 175.35 174.50 2dmm s VAL 31 N -1.26 5.03 -0.15 3.17 1.01 -1.26 0.26 120.40 127.20 2dmm s VAL 31 Ca 0.59 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2dmm s VAL 31 Cb -0.39 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2dmm s VAL 31 CO 0.50 0.04 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 2dmm s VAL 32 N 2.40 2.63 0.21 2.92 1.01 0.97 -4.92 120.40 125.62 2dmm s VAL 32 Ca 0.23 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.52 2dmm s VAL 32 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2dmm s VAL 32 CO 0.09 0.52 -0.20 0.68 0.00 0.00 0.00 175.10 176.20 2dmm s VAL 33 N 0.70 2.15 0.66 2.92 -7.23 -1.26 -4.11 120.40 114.24 2dmm s VAL 33 Ca -0.07 -2.13 0.19 0.00 -1.81 0.00 0.00 61.98 58.16 2dmm s VAL 33 Cb -0.16 -2.08 0.19 0.00 0.56 0.00 0.00 36.38 34.89 2dmm s VAL 33 CO 0.02 -0.32 1.59 0.00 -0.31 0.00 0.00 175.10 176.07 2dmm h ALA 34 N 2.87 1.58 0.02 1.32 0.00 -1.85 0.98 119.26 124.18 2dmm h ALA 34 Ca -0.42 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 2dmm h ALA 34 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dmm h ALA 34 CO 0.54 -0.58 -0.95 0.93 0.00 0.00 0.00 179.25 179.19 2dmm h GLU 35 N 0.00 0.29 -0.22 0.00 5.08 -1.90 -3.34 114.58 114.48 2dmm h GLU 35 Ca 0.00 -0.33 -0.20 0.00 -1.00 0.00 0.00 59.36 57.83 2dmm h GLU 35 Cb 1.16 0.10 -0.27 0.00 0.50 0.00 0.00 28.75 30.24 2dmm h GLU 35 CO -0.00 1.05 -0.82 0.27 -1.00 0.00 0.00 179.01 178.50 2dmm n ASN 36 N -3.67 2.13 0.07 1.42 6.94 0.28 -4.85 115.26 117.59 2dmm n ASN 36 Ca -0.05 -3.01 -0.12 0.00 -0.02 0.00 0.00 54.58 51.37 2dmm n ASN 36 Cb 0.85 -0.42 -0.08 0.00 -2.36 0.00 0.00 39.78 37.76 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 1.51 -0.20 0.00 -2.53 3.04 -0.08 -2.28 116.94 116.41 2dmm h PHE 37 Ca -0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2dmm h PHE 37 Cb 1.41 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.99 2dmm h PHE 37 CO 0.57 0.20 0.00 -0.40 -2.02 0.00 0.00 178.31 176.66 2dmm n ASP 38 N -4.98 0.00 -0.02 0.41 5.68 -1.26 -0.46 116.55 115.91 2dmm n ASP 38 Ca -0.09 0.20 -0.22 0.00 -0.50 0.00 0.00 54.79 54.18 2dmm n ASP 38 Cb 0.25 -0.34 -0.13 0.00 -1.14 0.00 0.00 41.12 39.76 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2dmm h GLU 39 N 0.00 0.19 0.00 0.11 4.81 -1.77 -3.36 114.58 114.56 2dmm h GLU 39 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2dmm h GLU 39 Cb 0.15 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2dmm h GLU 39 CO 0.00 1.15 -0.75 -0.89 -0.73 0.00 0.00 179.01 177.80 2dmm n ILE 40 N -3.82 1.21 -0.03 2.32 5.41 -0.87 -4.68 119.36 118.88 2dmm n ILE 40 Ca -0.31 0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.54 2dmm n ILE 40 Cb 0.92 -2.20 -0.08 0.00 -0.71 0.00 0.00 39.64 37.58 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 -0.81 0.00 -3.41 1.39 2.07 -0.98 -3.40 116.25 111.11 2dmm h VAL 41 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 2dmm h VAL 41 Cb 0.75 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2dmm h VAL 41 CO 0.00 0.00 0.70 0.20 0.02 0.00 0.00 177.57 178.49 2dmm s ASN 42 N -4.46 6.78 -0.30 0.57 0.01 -1.11 -4.69 114.94 111.74 2dmm s ASN 42 Ca -0.12 2.54 -0.12 0.00 -0.71 0.00 0.00 52.86 54.45 2dmm s ASN 42 Cb 0.06 -2.62 0.18 0.00 0.41 0.00 0.00 41.25 39.28 2dmm s ASN 42 CO 0.49 -0.61 1.04 0.21 -1.51 0.00 0.00 177.10 176.72 2dmm s ASN 43 N 0.29 -0.47 -0.03 -1.22 3.84 -1.26 -4.61 114.94 111.48 2dmm s ASN 43 Ca 0.57 0.20 0.05 0.00 0.21 0.00 0.00 52.86 53.90 2dmm s ASN 43 Cb -0.39 1.36 0.21 0.00 -0.55 0.00 0.00 41.25 41.88 2dmm s ASN 43 CO 0.41 -0.09 1.02 -0.62 -2.79 0.00 0.00 177.10 175.04 2dmm n GLU 44 N 5.35 1.79 -0.06 0.43 -0.58 -1.26 -3.74 120.64 122.57 2dmm n GLU 44 Ca -0.01 -0.83 -0.09 0.00 -0.42 0.00 0.00 57.16 55.80 2dmm n GLU 44 Cb 0.55 -1.43 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 2dmm n GLU 44 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2dmm n ASN 45 N 0.15 2.66 -4.19 1.62 5.03 -1.26 -4.69 115.26 114.59 2dmm n ASN 45 Ca 0.08 -0.02 -0.11 0.00 0.87 0.00 0.00 54.58 55.39 2dmm n ASN 45 Cb 0.34 -0.22 -0.10 0.00 -1.02 0.00 0.00 39.78 38.78 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2dmm s LYS 46 N -2.23 0.99 0.50 3.52 -2.85 -1.25 -5.06 119.74 113.36 2dmm s LYS 46 Ca -0.16 -1.46 -0.16 0.00 -1.00 0.00 0.00 55.97 53.18 2dmm s LYS 46 Cb 0.05 -0.04 -0.08 0.00 -2.06 0.00 0.00 37.83 35.70 2dmm s LYS 46 CO 0.26 -0.17 0.97 -0.51 0.10 0.00 0.00 175.35 176.00 2dmm s ASP 47 N -3.10 6.63 -0.01 0.03 1.01 -0.62 -4.63 116.67 115.99 2dmm s ASP 47 Ca 0.22 1.55 -0.08 0.00 0.71 0.00 0.00 52.55 54.96 2dmm s ASP 47 Cb 0.07 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.50 2dmm s ASP 47 CO 0.01 -0.57 0.16 -0.69 0.21 0.00 0.00 175.17 174.30 2dmm s VAL 48 N -2.59 0.06 -0.11 -1.27 1.01 0.10 -2.79 120.40 114.82 2dmm s VAL 48 Ca 0.59 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2dmm s VAL 48 Cb -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2dmm s VAL 48 CO 0.30 -0.29 -0.22 -0.22 0.00 0.00 0.00 175.10 174.67 2dmm s LEU 49 N -1.05 2.19 -0.07 3.92 2.96 -0.21 0.98 118.68 127.39 2dmm s LEU 49 Ca -0.11 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2dmm s LEU 49 Cb -0.06 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 2dmm s LEU 49 CO 0.01 0.16 -0.25 -0.51 -1.32 0.00 0.00 176.35 174.45 2dmm s ILE 50 N 0.37 2.07 -0.17 6.68 1.10 -1.10 -2.02 121.20 128.12 2dmm s ILE 50 Ca -0.17 -1.05 0.00 0.00 -0.51 0.00 0.00 60.65 58.92 2dmm s ILE 50 Cb -0.18 -1.76 0.04 0.00 0.15 0.00 0.00 42.46 40.71 2dmm s ILE 50 CO 0.08 0.57 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.69 2dmm s GLU 51 N 0.02 1.78 0.06 3.50 -6.30 -1.16 0.09 118.70 116.68 2dmm s GLU 51 Ca -0.09 -0.60 -0.18 0.00 -2.50 0.00 0.00 54.97 51.60 2dmm s GLU 51 Cb -0.15 -2.11 -0.06 0.00 0.00 0.00 0.00 34.13 31.81 2dmm s GLU 51 CO 0.06 -0.38 0.54 -0.06 0.02 0.00 0.00 175.26 175.43 2dmm s PHE 52 N 1.54 3.79 0.30 5.30 0.08 0.31 -1.75 117.98 127.54 2dmm s PHE 52 Ca 0.01 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.28 2dmm s PHE 52 Cb -0.15 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 2dmm s PHE 52 CO -0.08 0.60 0.34 1.52 -0.10 0.00 0.00 175.22 177.49 2dmm s TYR 53 N -1.11 1.25 -0.05 0.36 -0.85 -1.08 -1.47 117.35 114.41 2dmm s TYR 53 Ca 0.28 -1.38 0.03 0.00 -0.52 0.00 0.00 57.07 55.48 2dmm s TYR 53 Cb -0.19 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.78 2dmm s TYR 53 CO 0.18 -0.93 -0.13 0.00 -1.52 0.00 0.00 175.55 173.15 2dmm s ALA 54 N -3.52 1.26 -1.17 9.51 0.00 -1.26 -3.89 121.76 122.69 2dmm s ALA 54 Ca 0.35 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.96 2dmm s ALA 54 Cb 0.02 -0.48 0.66 0.00 0.00 0.00 0.00 23.12 23.32 2dmm s ALA 54 CO 0.20 0.18 1.43 -0.35 0.00 0.00 0.00 175.76 177.22 2dmm n PRO 55 N 3.43 0.08 -0.23 0.00 -0.04 -1.26 -2.18 135.00 134.81 2dmm n PRO 55 Ca -0.20 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2dmm n PRO 55 Cb 0.53 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.41 0.19 -4.00 0.54 4.27 -1.26 -4.95 117.44 110.82 2dmm n TRP 56 Ca 0.05 -1.07 -0.31 0.00 -3.89 0.00 0.00 57.50 52.28 2dmm n TRP 56 Cb 0.15 -0.20 -0.15 0.00 -1.36 0.00 0.00 31.31 29.74 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 7.89 0.71 -0.74 0.00 0.00 -1.92 -1.34 103.07 107.67 2dmm h GLY 58 Ca -0.19 0.07 0.21 0.00 0.00 0.00 0.00 47.33 47.42 2dmm h GLY 58 CO 0.44 -0.20 0.06 1.42 0.00 0.00 0.00 176.54 178.25 2dmm n HIS 59 N -5.27 0.51 0.00 5.60 8.25 -1.26 0.87 115.22 123.93 2dmm n HIS 59 Ca 0.10 0.89 -0.13 0.00 -0.26 0.00 0.00 57.72 58.32 2dmm n HIS 59 Cb 0.37 -1.08 -0.10 0.00 1.12 0.00 0.00 29.99 30.31 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 -0.60 0.20 0.00 0.00 3.64 0.58 1.19 116.57 121.58 2dmm h LYS 61 Ca -0.01 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 2dmm h LYS 61 Cb 0.54 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2dmm h LYS 61 CO 0.01 0.13 -1.40 -0.97 -2.27 0.00 0.00 179.45 174.95 2dmm h ASN 62 N 0.20 0.00 1.21 4.20 -1.24 -1.03 -3.31 115.58 115.62 2dmm h ASN 62 Ca 0.63 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.64 2dmm h ASN 62 Cb 1.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.04 2dmm h ASN 62 CO -0.21 0.92 -0.22 -0.11 -1.29 0.00 0.00 177.43 176.51 2dmm n LEU 63 N -3.12 0.72 -0.15 0.34 7.94 0.20 -4.11 117.00 118.82 2dmm n LEU 63 Ca -0.10 0.44 -0.12 0.00 -1.11 0.00 0.00 56.01 55.12 2dmm n LEU 63 Cb 0.98 -0.28 -0.07 0.00 0.53 0.00 0.00 43.42 44.57 2dmm n LEU 63 CO 0.45 -0.12 0.54 -0.08 -1.11 0.00 0.00 177.39 177.07 2dmm h GLU 64 N 0.00 -0.33 0.00 1.96 4.81 0.10 0.69 114.58 121.81 2dmm h GLU 64 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dmm h GLU 64 Cb 0.72 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2dmm h GLU 64 CO 0.00 -0.22 0.00 -1.00 -0.73 0.00 0.00 179.01 177.06 2dmm h PRO 65 N -0.34 0.00 0.00 0.92 0.13 -1.81 0.21 132.00 131.10 2dmm h PRO 65 Ca 0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.99 2dmm h PRO 65 Cb 0.59 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2dmm h PRO 65 CO -0.61 0.00 -1.34 0.87 -0.23 0.00 0.00 178.00 176.70 2dmm h LYS 66 N 0.00 0.01 0.07 0.86 1.79 -0.77 -3.33 116.57 115.20 2dmm h LYS 66 Ca 0.00 -0.01 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 2dmm h LYS 66 Cb 0.43 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2dmm h LYS 66 CO 0.00 0.77 -2.11 0.98 -1.08 0.00 0.00 179.45 178.01 2dmm n TYR 67 N -3.21 0.80 -0.15 -1.35 9.36 0.21 -4.27 117.16 118.55 2dmm n TYR 67 Ca -0.08 0.19 -0.09 0.00 3.32 0.00 0.00 57.90 61.23 2dmm n TYR 67 Cb 0.99 -1.10 -0.04 0.00 -0.63 0.00 0.00 39.34 38.56 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 -0.09 -0.29 -0.57 2.98 3.64 -0.77 -2.26 116.57 119.21 2dmm h LYS 68 Ca -0.48 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 2dmm h LYS 68 Cb 1.91 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.72 2dmm h LYS 68 CO -0.02 -0.19 -0.41 0.93 -2.27 0.00 0.00 179.45 177.49 2dmm h GLU 69 N -0.30 -0.09 -1.24 1.90 5.08 -1.78 0.54 114.58 118.70 2dmm h GLU 69 Ca 0.15 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.94 2dmm h GLU 69 Cb 0.58 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 2dmm h GLU 69 CO -0.60 -0.06 0.80 -0.11 -1.00 0.00 0.00 179.01 178.04 2dmm n LEU 70 N -4.61 0.17 0.36 1.33 7.94 -0.86 0.26 117.00 121.59 2dmm n LEU 70 Ca 0.00 1.17 -0.17 0.00 -1.11 0.00 0.00 56.01 55.90 2dmm n LEU 70 Cb 0.21 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.49 2dmm n LEU 70 CO -0.07 -1.27 0.60 1.23 -1.11 0.00 0.00 177.39 176.76 2dmm h GLY 71 N 0.00 -0.93 2.00 -3.96 0.00 0.18 0.38 103.07 100.74 2dmm h GLY 71 Ca 0.77 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.44 2dmm h GLY 71 CO -0.37 -0.34 0.00 1.05 0.00 0.00 0.00 176.54 176.88 2dmm h GLU 72 N -0.97 0.00 -0.06 4.80 4.11 -0.14 -2.20 114.58 120.12 2dmm h GLU 72 Ca -0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 2dmm h GLU 72 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dmm h GLU 72 CO 0.15 0.00 -0.41 0.87 0.07 0.00 0.00 179.01 179.69 2dmm h LYS 73 N 0.00 0.39 -0.01 1.06 1.57 -0.05 -3.18 116.57 116.35 2dmm h LYS 73 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2dmm h LYS 73 Cb 0.77 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2dmm h LYS 73 CO 0.00 0.98 -0.08 1.28 -0.57 0.00 0.00 179.45 181.06 2dmm n LEU 74 N -4.34 0.86 -0.31 2.94 4.77 0.11 -4.21 117.00 116.83 2dmm n LEU 74 Ca -0.09 -0.22 0.32 0.00 -0.03 0.00 0.00 56.01 56.00 2dmm n LEU 74 Cb 0.56 -0.08 0.50 0.00 -2.33 0.00 0.00 43.42 42.07 2dmm n LEU 74 CO 0.44 0.15 1.28 -0.24 -1.33 0.00 0.00 177.39 177.69 2dmm n SER 75 N -0.51 0.00 -0.80 -1.43 2.88 -0.83 0.26 113.62 113.18 2dmm n SER 75 Ca 0.17 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2dmm n SER 75 Cb 0.29 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.50 2dmm n SER 75 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dmm n LYS 76 N -3.34 1.48 -3.42 -1.46 4.81 -1.26 -4.68 118.16 110.29 2dmm n LYS 76 Ca 0.27 -0.45 -0.44 0.00 -0.87 0.00 0.00 58.31 56.82 2dmm n LYS 76 Cb 1.61 -1.52 -0.05 0.00 0.02 0.00 0.00 35.03 35.09 2dmm n LYS 76 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2dmm s ASP 77 N 0.06 6.17 0.00 3.14 1.47 0.71 -4.90 116.67 123.32 2dmm s ASP 77 Ca 0.08 -2.25 0.15 0.00 1.18 0.00 0.00 52.55 51.71 2dmm s ASP 77 Cb 0.06 -2.13 0.90 0.00 -0.34 0.00 0.00 42.92 41.42 2dmm s ASP 77 CO 0.02 -0.67 1.35 -0.81 0.68 0.00 0.00 175.17 175.75 2dmm n PRO 78 N 4.53 0.45 0.00 2.11 -0.04 -1.26 -3.33 135.00 137.46 2dmm n PRO 78 Ca -0.01 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2dmm n PRO 78 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.04 2.08 -4.83 3.54 5.03 -1.26 -5.01 115.26 113.77 2dmm n ASN 79 Ca 0.11 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.20 2dmm n ASN 79 Cb 0.06 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 2dmm n ASN 79 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2dmm s ILE 80 N -1.96 4.71 -0.14 2.41 1.01 -1.21 -1.58 121.20 124.44 2dmm s ILE 80 Ca 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2dmm s ILE 80 Cb 0.00 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.69 2dmm s ILE 80 CO 0.00 0.29 -0.00 -0.69 0.00 0.00 0.00 174.94 174.54 2dmm s VAL 81 N -1.41 0.64 -0.01 2.92 1.01 -1.12 -4.61 120.40 117.82 2dmm s VAL 81 Ca 0.38 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 2dmm s VAL 81 Cb -0.17 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2dmm s VAL 81 CO 0.20 0.07 0.90 -0.63 0.00 0.00 0.00 175.10 175.64 2dmm s ILE 82 N 1.84 4.90 0.26 2.22 -1.09 -1.26 -1.05 121.20 127.01 2dmm s ILE 82 Ca 0.02 1.88 -0.08 0.00 -2.23 0.00 0.00 60.65 60.23 2dmm s ILE 82 Cb -0.15 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 2dmm s ILE 82 CO -0.07 0.20 0.41 0.00 -1.23 0.00 0.00 174.94 174.25 2dmm s ALA 83 N 0.87 0.25 0.15 9.38 0.00 -0.86 -1.34 121.76 130.21 2dmm s ALA 83 Ca 0.47 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2dmm s ALA 83 Cb -0.20 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2dmm s ALA 83 CO 0.25 -0.79 -0.02 -1.59 0.00 0.00 0.00 175.76 173.62 2dmm s LYS 84 N -3.82 1.01 -0.15 0.00 -2.85 0.14 -2.99 119.74 111.08 2dmm s LYS 84 Ca 0.27 -1.47 -0.12 0.00 -1.00 0.00 0.00 55.97 53.65 2dmm s LYS 84 Cb 0.01 -0.22 0.05 0.00 -2.06 0.00 0.00 37.83 35.60 2dmm s LYS 84 CO 0.12 -0.10 0.40 1.41 0.10 0.00 0.00 175.35 177.28 2dmm s MET 85 N -3.90 0.44 -1.08 1.78 1.75 -0.72 -0.02 119.30 117.55 2dmm s MET 85 Ca 0.20 0.63 -0.12 0.00 -1.25 0.00 0.00 55.69 55.15 2dmm s MET 85 Cb 0.06 0.14 0.23 0.00 2.84 0.00 0.00 34.83 38.10 2dmm s MET 85 CO 0.01 -0.09 1.15 0.34 -0.65 0.00 0.00 175.02 175.79 2dmm s ASP 86 N 0.59 7.12 0.15 1.11 -1.08 -1.26 -2.64 116.67 120.67 2dmm s ASP 86 Ca -0.03 -3.18 -0.30 0.00 -0.52 0.00 0.00 52.55 48.52 2dmm s ASP 86 Cb -0.05 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.09 2dmm s ASP 86 CO -0.04 -0.51 1.56 0.00 0.52 0.00 0.00 175.17 176.70 2dmm h ALA 87 N 7.13 -0.57 -0.30 3.66 0.00 -1.70 0.90 119.26 128.39 2dmm h ALA 87 Ca 0.21 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2dmm h ALA 87 Cb 0.91 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2dmm h ALA 87 CO 1.05 -0.95 0.73 1.79 0.00 0.00 0.00 179.25 181.87 2dmm h THR 88 N -0.32 0.08 0.00 0.00 1.35 -1.91 1.22 112.91 113.33 2dmm h THR 88 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2dmm h THR 88 Cb 0.58 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2dmm h THR 88 CO -0.64 0.00 -1.58 0.00 -0.25 0.00 0.00 175.52 173.06 2dmm n ALA 89 N -1.94 2.81 -3.49 6.62 0.00 0.23 -4.90 120.51 119.84 2dmm n ALA 89 Ca 0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 2dmm n ALA 89 Cb 0.84 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 2dmm n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dmm s ASN 90 N -3.63 1.59 0.49 0.00 2.20 0.42 -3.94 114.94 112.06 2dmm s ASN 90 Ca -0.04 -0.36 -0.15 0.00 -0.94 0.00 0.00 52.86 51.36 2dmm s ASN 90 Cb 0.10 0.31 -0.13 0.00 -2.00 0.00 0.00 41.25 39.54 2dmm s ASN 90 CO 0.66 -0.34 -0.19 -0.67 -2.94 0.00 0.00 177.10 173.62 2dmm n ASP 91 N 5.31 -3.41 -4.70 3.54 2.03 -1.03 -4.01 116.55 114.27 2dmm n ASP 91 Ca -0.05 0.50 -0.37 0.00 0.52 0.00 0.00 54.79 55.40 2dmm n ASP 91 Cb 0.49 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.71 5.31 0.42 5.18 1.01 -1.26 -4.73 120.40 124.62 2dmm s VAL 92 Ca 0.47 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 2dmm s VAL 92 Cb -0.39 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.49 2dmm s VAL 92 CO 0.58 0.36 0.37 -0.81 0.00 0.00 0.00 175.10 175.60 2dmm n PRO 93 N 3.89 -1.75 -4.44 2.72 -0.04 -1.26 -4.90 135.00 129.22 2dmm n PRO 93 Ca -0.12 -0.59 -0.24 0.00 -0.04 0.00 0.00 63.50 62.50 2dmm n PRO 93 Cb 0.52 -0.56 -0.10 0.00 -0.04 0.00 0.00 33.50 33.32 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 -2.51 3.78 0.00 3.54 0.01 -1.26 -2.90 113.70 114.36 2dmm s SER 94 Ca 0.24 -0.98 0.14 0.00 1.31 0.00 0.00 55.95 56.67 2dmm s SER 94 Cb -0.02 -0.40 0.63 0.00 0.21 0.00 0.00 66.02 66.44 2dmm s SER 94 CO 0.19 0.01 1.44 -0.81 0.41 0.00 0.00 173.24 174.47 2dmm n PRO 95 N -0.69 0.05 -1.02 12.44 -0.04 -1.26 -4.87 135.00 139.61 2dmm n PRO 95 Ca -0.05 0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 2dmm n PRO 95 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.45 -1.07 -3.69 0.54 4.02 -1.14 -4.98 117.16 109.39 2dmm n TYR 96 Ca 0.04 0.58 -0.10 0.00 -0.01 0.00 0.00 57.90 58.41 2dmm n TYR 96 Cb 0.15 -1.40 -0.11 0.00 -0.02 0.00 0.00 39.34 37.96 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 -0.76 0.39 -0.11 -0.72 2.02 -1.26 -4.62 118.70 113.64 2dmm s GLU 97 Ca 0.46 0.81 -0.01 0.00 0.02 0.00 0.00 54.97 56.25 2dmm s GLU 97 Cb -0.58 0.00 0.03 0.00 0.10 0.00 0.00 34.13 33.69 2dmm s GLU 97 CO 0.45 -0.17 -0.02 0.08 0.02 0.00 0.00 175.26 175.63 2dmm s VAL 98 N 1.50 0.67 -0.00 2.63 1.01 -1.26 -4.98 120.40 119.96 2dmm s VAL 98 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2dmm s VAL 98 Cb -0.09 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2dmm s VAL 98 CO -0.13 0.21 -0.00 0.54 0.00 0.00 0.00 175.10 175.72 2dmm n ARG 99 N 5.04 1.22 -4.22 2.72 3.00 -1.26 -5.01 116.66 118.15 2dmm n ARG 99 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.43 2dmm n ARG 99 Cb 0.49 -1.01 -0.16 0.00 0.00 0.00 0.00 32.46 31.78 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 -3.74 1.25 0.19 -0.13 0.00 -1.26 -5.13 107.32 98.50 2dmm s GLY 100 Ca -0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 2dmm s GLY 100 CO 0.01 0.31 0.37 -1.36 0.00 0.00 0.00 173.10 172.43 2dmm s PHE 101 N 1.24 3.48 0.78 1.90 0.40 -1.26 -4.06 117.98 120.46 2dmm s PHE 101 Ca 0.01 0.32 -0.10 0.00 -0.60 0.00 0.00 56.93 56.56 2dmm s PHE 101 Cb -0.14 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.62 2dmm s PHE 101 CO -0.09 0.41 1.09 -1.25 0.70 0.00 0.00 175.22 176.08 2dmm s PRO 102 N -3.24 2.23 -0.13 0.24 0.04 -1.26 -5.04 135.00 127.84 2dmm s PRO 102 Ca 0.38 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 2dmm s PRO 102 Cb -0.11 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2dmm s PRO 102 CO 0.29 -1.66 0.05 0.99 0.04 0.00 0.00 177.00 176.71 2dmm s THR 103 N -2.90 0.18 -0.10 1.26 2.01 -0.54 -5.04 115.64 110.51 2dmm s THR 103 Ca 0.61 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 2dmm s THR 103 Cb -0.17 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2dmm s THR 103 CO 0.56 -0.07 0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 2dmm s ILE 104 N 2.03 4.48 0.32 1.82 1.01 -1.26 0.11 121.20 129.70 2dmm s ILE 104 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2dmm s ILE 104 Cb -0.15 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2dmm s ILE 104 CO -0.07 0.58 0.12 -0.31 0.00 0.00 0.00 174.94 175.26 2dmm s TYR 105 N -0.68 1.69 -0.06 3.97 2.02 0.11 -2.83 117.35 121.56 2dmm s TYR 105 Ca 0.11 -1.22 -0.03 0.00 -0.37 0.00 0.00 57.07 55.56 2dmm s TYR 105 Cb -0.12 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.48 2dmm s TYR 105 CO 0.02 -0.33 0.13 0.12 -1.57 0.00 0.00 175.55 173.93 2dmm s PHE 106 N -3.51 -0.14 -0.55 2.71 5.36 0.16 -2.72 117.98 119.29 2dmm s PHE 106 Ca 0.34 0.47 -0.15 0.00 -0.96 0.00 0.00 56.93 56.62 2dmm s PHE 106 Cb 0.06 -0.16 0.13 0.00 -0.34 0.00 0.00 43.02 42.72 2dmm s PHE 106 CO 0.16 -0.18 0.50 0.45 -1.46 0.00 0.00 175.22 174.68 2dmm s SER 107 N 1.46 6.17 1.23 6.13 0.15 0.27 -2.24 113.70 126.87 2dmm s SER 107 Ca -0.06 -1.83 -0.20 0.00 0.70 0.00 0.00 55.95 54.56 2dmm s SER 107 Cb -0.12 -2.20 0.30 0.00 -1.71 0.00 0.00 66.02 62.29 2dmm s SER 107 CO -0.05 -0.84 1.11 -2.16 1.20 0.00 0.00 173.24 172.50 2dmm s PRO 108 N 1.53 -1.43 -0.11 5.44 0.04 -1.26 -0.72 135.00 138.48 2dmm s PRO 108 Ca 0.04 -0.14 -0.17 0.00 0.04 0.00 0.00 61.00 60.77 2dmm s PRO 108 Cb -0.29 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2dmm s PRO 108 CO 0.02 -3.84 0.43 0.00 0.04 0.00 0.00 177.00 173.66 2dmm s ALA 109 N -3.01 3.52 -1.01 8.56 0.00 -1.26 -4.12 121.76 124.44 2dmm s ALA 109 Ca 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2dmm s ALA 109 Cb -0.08 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2dmm s ALA 109 CO 0.56 0.07 0.00 0.27 0.00 0.00 0.00 175.76 176.66 2dmm n ASN 110 N 3.46 -3.66 -0.46 0.00 0.23 -1.26 -4.78 115.26 108.79 2dmm n ASN 110 Ca -0.09 0.22 0.06 0.00 -0.53 0.00 0.00 54.58 54.24 2dmm n ASN 110 Cb 0.52 -3.15 0.10 0.00 -2.08 0.00 0.00 39.78 35.16 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2dmm n LYS 111 N -2.69 0.82 0.01 -3.83 5.02 -1.26 -4.86 118.16 111.37 2dmm n LYS 111 Ca -0.14 -2.20 -0.12 0.00 -2.02 0.00 0.00 58.31 53.84 2dmm n LYS 111 Cb 0.58 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.30 -0.45 -1.27 1.97 1.79 -1.86 -0.26 116.57 116.78 2dmm h LYS 112 Ca -0.03 0.03 0.46 0.00 -2.18 0.00 0.00 60.65 58.93 2dmm h LYS 112 Cb 1.22 0.10 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 2dmm h LYS 112 CO 0.01 -0.30 0.79 1.28 -1.08 0.00 0.00 179.45 180.15 2dmm n LEU 113 N -5.43 0.25 -3.59 2.94 4.77 -1.26 -2.94 117.00 111.74 2dmm n LEU 113 Ca -0.04 1.45 -0.29 0.00 -0.03 0.00 0.00 56.01 57.10 2dmm n LEU 113 Cb 0.35 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 2dmm n LEU 113 CO 0.14 -1.60 -0.29 0.21 -1.33 0.00 0.00 177.39 174.53 2dmm s ASN 114 N -4.34 3.32 1.06 -1.43 2.47 -0.12 -4.84 114.94 111.06 2dmm s ASN 114 Ca -0.08 -2.38 -0.05 0.00 0.42 0.00 0.00 52.86 50.78 2dmm s ASN 114 Cb 0.32 -0.71 0.07 0.00 -1.45 0.00 0.00 41.25 39.48 2dmm s ASN 114 CO 0.81 -0.29 0.26 -0.81 -3.72 0.00 0.00 177.10 173.34 2dmm n PRO 115 N 3.83 -1.53 -3.79 0.43 -0.04 -1.12 -4.84 135.00 127.93 2dmm n PRO 115 Ca 0.10 -0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 62.98 2dmm n PRO 115 Cb 0.36 -0.39 -0.16 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.59 0.05 -0.21 0.54 -0.14 -0.95 -5.01 119.74 110.42 2dmm s LYS 116 Ca 0.17 0.19 -0.16 0.00 -1.36 0.00 0.00 55.97 54.81 2dmm s LYS 116 Cb -0.02 -0.37 -0.04 0.00 -1.68 0.00 0.00 37.83 35.73 2dmm s LYS 116 CO 0.13 -0.19 0.40 0.21 -0.76 0.00 0.00 175.35 175.14 2dmm s LYS 117 N 1.26 4.14 -0.43 1.68 2.20 -1.26 0.39 119.74 127.71 2dmm s LYS 117 Ca -0.07 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 2dmm s LYS 117 Cb -0.13 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 2dmm s LYS 117 CO -0.03 -0.09 2.34 0.98 -0.36 0.00 0.00 175.35 178.19 2dmm n TYR 118 N 4.65 1.52 -3.88 4.03 9.36 -1.13 -4.91 117.16 126.81 2dmm n TYR 118 Ca -0.08 0.12 -0.34 0.00 3.32 0.00 0.00 57.90 60.91 2dmm n TYR 118 Cb 0.51 -2.61 -0.13 0.00 -0.63 0.00 0.00 39.34 36.48 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 7.35 1.84 0.00 2.98 2.02 -1.26 -4.82 118.70 126.81 2dmm s GLU 119 Ca 1.06 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2dmm s GLU 119 Cb -0.49 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2dmm s GLU 119 CO 0.36 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.07 2dmm n GLY 120 N 4.47 -0.65 3.72 -1.39 0.00 -1.26 -5.13 105.19 104.95 2dmm n GLY 120 Ca -0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 2.80 -0.16 -0.02 0.00 -1.26 -4.93 107.32 103.75 2dmm s GLY 121 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 2dmm s GLY 121 CO 0.00 1.72 3.19 0.54 0.00 0.00 0.00 173.10 178.55 2dmm n ARG 122 N 3.48 2.06 -4.36 2.90 1.74 -1.26 -4.37 116.66 116.86 2dmm n ARG 122 Ca 0.06 -1.40 -0.34 0.00 -0.77 0.00 0.00 57.85 55.39 2dmm n ARG 122 Cb 0.49 -1.97 -0.11 0.00 -1.02 0.00 0.00 32.46 29.85 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 -0.06 3.39 0.18 5.56 2.12 -1.26 -5.00 118.70 123.63 2dmm s GLU 123 Ca 0.59 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2dmm s GLU 123 Cb 0.32 -2.88 0.24 0.00 0.26 0.00 0.00 34.13 32.06 2dmm s GLU 123 CO -0.07 0.44 1.15 -0.11 -0.54 0.00 0.00 175.26 176.13 2dmm n LEU 124 N 2.93 -0.41 -0.04 2.70 -0.00 -1.26 0.77 117.00 121.69 2dmm n LEU 124 Ca -0.18 1.29 -0.12 0.00 -0.00 0.00 0.00 56.01 56.99 2dmm n LEU 124 Cb 0.53 -0.33 -0.07 0.00 -0.00 0.00 0.00 43.42 43.55 2dmm n LEU 124 CO 0.31 -1.18 0.69 0.28 -0.00 0.00 0.00 177.39 177.49 2dmm h SER 125 N 0.00 0.24 -1.10 1.96 0.02 -1.94 -2.98 113.55 109.75 2dmm h SER 125 Ca 0.29 -0.38 0.31 0.00 -0.84 0.00 0.00 61.79 61.16 2dmm h SER 125 Cb 0.48 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 2dmm h SER 125 CO -0.74 0.57 0.71 0.44 -1.14 0.00 0.00 176.83 176.67 2dmm h ASP 126 N -0.09 0.39 -0.31 3.07 3.32 0.08 0.33 116.42 123.21 2dmm h ASP 126 Ca 0.03 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2dmm h ASP 126 Cb 0.47 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2dmm h ASP 126 CO 0.01 0.02 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.05 2dmm h PHE 127 N 0.31 0.84 0.28 4.55 0.04 -0.84 -1.59 116.94 120.54 2dmm h PHE 127 Ca 0.64 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 61.17 2dmm h PHE 127 Cb 1.76 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.73 2dmm h PHE 127 CO -0.00 0.97 -0.13 0.82 -0.60 0.00 0.00 178.31 179.36 2dmm h ILE 128 N 0.47 0.76 0.00 -0.55 2.04 -0.31 -2.21 117.51 117.70 2dmm h ILE 128 Ca 0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2dmm h ILE 128 Cb 0.80 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2dmm h ILE 128 CO 0.06 0.07 -0.04 -1.28 0.00 0.00 0.00 178.15 176.97 2dmm h SER 129 N -0.55 0.00 -0.07 1.72 0.87 -1.18 0.32 113.55 114.66 2dmm h SER 129 Ca -0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 2dmm h SER 129 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2dmm h SER 129 CO 0.06 0.04 -0.20 0.22 -0.53 0.00 0.00 176.83 176.41 2dmm h TYR 130 N 0.00 0.35 0.04 2.24 5.03 -0.91 -3.31 116.97 120.40 2dmm h TYR 130 Ca -0.00 -0.14 -0.27 0.00 2.58 0.00 0.00 58.73 60.90 2dmm h TYR 130 Cb 0.21 -0.06 0.02 0.00 1.55 0.00 0.00 36.73 38.45 2dmm h TYR 130 CO 0.00 0.82 -1.09 -0.07 -1.32 0.00 0.00 178.16 176.50 2dmm h LEU 131 N -0.22 0.82 -1.00 2.82 3.38 -1.02 -1.75 115.31 118.34 2dmm h LEU 131 Ca -0.00 -0.69 0.36 0.00 0.09 0.00 0.00 57.88 57.64 2dmm h LEU 131 Cb 0.82 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.13 2dmm h LEU 131 CO 0.04 1.49 0.34 1.56 0.09 0.00 0.00 178.44 181.97 2dmm h GLN 132 N 0.32 0.00 0.00 1.13 4.20 -1.03 0.52 115.11 120.26 2dmm h GLN 132 Ca -0.14 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 2dmm h GLN 132 Cb 1.75 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 2dmm h GLN 132 CO 0.21 0.00 -1.03 0.54 -0.67 0.00 0.00 178.83 177.88 2dmm n ARG 133 N -5.35 0.52 -0.16 1.46 1.74 -1.24 -4.49 116.66 109.14 2dmm n ARG 133 Ca 0.32 0.31 -0.09 0.00 -0.77 0.00 0.00 57.85 57.63 2dmm n ARG 133 Cb 1.09 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.98 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 -0.26 -6.10 5.56 4.39 -1.08 -3.40 114.58 112.69 2dmm h GLU 134 Ca -0.08 0.02 -0.78 0.00 0.34 0.00 0.00 59.36 58.86 2dmm h GLU 134 Cb 0.94 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2dmm h GLU 134 CO -0.05 -0.17 0.81 0.00 -1.16 0.00 0.00 179.01 178.44 2dmm n ALA 135 N -3.10 -0.65 -0.05 3.43 0.00 0.18 -4.87 120.51 115.45 2dmm n ALA 135 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2dmm n ALA 135 Cb 0.35 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2dmm n ALA 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmm n THR 136 N 4.29 0.00 -0.22 0.00 -2.24 -1.26 -2.58 114.28 112.27 2dmm n THR 136 Ca 0.28 1.48 -0.03 0.00 -2.27 0.00 0.00 64.05 63.50 2dmm n THR 136 Cb 0.07 -2.21 0.07 0.00 -2.10 0.00 0.00 70.33 66.16 2dmm n THR 136 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2dmm h SER 137 N 0.00 0.59 -3.47 3.42 0.87 -1.94 -3.49 113.55 109.54 2dmm h SER 137 Ca 0.00 0.01 0.34 0.00 -1.23 0.00 0.00 61.79 60.91 2dmm h SER 137 Cb 0.00 -0.11 -0.18 0.00 -0.44 0.00 0.00 62.40 61.66 2dmm h SER 137 CO 0.00 0.40 -1.22 0.61 -0.53 0.00 0.00 176.83 176.09 2dmm n GLY 138 N -1.27 -3.18 3.69 5.77 0.00 -1.07 -4.90 105.19 104.23 2dmm n GLY 138 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.30 0.80 -0.43 1.61 0.04 -1.26 -5.01 135.00 126.45 2dmm s PRO 139 Ca 0.00 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 61.64 2dmm s PRO 139 Cb 0.00 -1.77 0.10 0.00 0.04 0.00 0.00 34.50 32.87 2dmm s PRO 139 CO 0.00 -2.51 0.26 0.45 0.04 0.00 0.00 177.00 175.23 2dmm s SER 140 N -3.43 5.48 0.25 6.66 0.15 -1.26 -5.05 113.70 116.51 2dmm s SER 140 Ca 0.64 -1.83 -0.21 0.00 0.70 0.00 0.00 55.95 55.25 2dmm s SER 140 Cb -0.18 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.23 2dmm s SER 140 CO 0.57 -0.58 0.68 -0.44 1.20 0.00 0.00 173.24 174.67 2dmm s SER 141 N 2.17 -0.31 0.00 5.45 0.01 -1.26 -5.24 113.70 114.52 2dmm s SER 141 Ca 0.05 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dmm s SER 141 Cb -0.24 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dmm s SER 141 CO -0.01 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 172.99