#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm n SER 2 N 0.00 -0.86 -3.59 1.61 7.64 -1.26 -4.95 113.62 112.21 2dmm n SER 2 Ca 0.00 -0.99 -0.14 0.00 1.01 0.00 0.00 58.87 58.75 2dmm n SER 2 Cb 0.00 -3.09 -0.06 0.00 -1.01 0.00 0.00 64.21 60.05 2dmm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmm s SER 3 N -4.20 -0.59 0.24 6.43 0.01 -1.26 -5.18 113.70 109.14 2dmm s SER 3 Ca 0.12 0.91 -0.20 0.00 1.31 0.00 0.00 55.95 58.08 2dmm s SER 3 Cb -0.06 0.85 0.07 0.00 0.21 0.00 0.00 66.02 67.09 2dmm s SER 3 CO 0.89 -0.36 0.97 -0.83 0.41 0.00 0.00 173.24 174.32 2dmm s GLY 4 N -0.41 0.20 -0.08 3.44 0.00 -1.26 -5.18 107.32 104.02 2dmm s GLY 4 Ca -0.03 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 2dmm s GLY 4 CO 0.02 1.78 0.61 -0.45 0.00 0.00 0.00 173.10 175.06 2dmm s SER 5 N -3.33 -0.58 -0.19 1.64 0.15 -1.26 -5.09 113.70 105.04 2dmm s SER 5 Ca 0.20 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.41 2dmm s SER 5 Cb -0.03 0.67 -0.06 0.00 -1.71 0.00 0.00 66.02 64.88 2dmm s SER 5 CO 0.07 -0.50 -0.34 -1.54 1.20 0.00 0.00 173.24 172.13 2dmm n SER 6 N 1.37 1.94 0.00 5.45 3.41 -1.26 -5.12 113.62 119.40 2dmm n SER 6 Ca -0.18 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2dmm n SER 6 Cb 0.57 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2dmm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmm n GLY 7 N 1.45 0.16 3.47 5.00 0.00 -1.26 -4.98 105.19 109.03 2dmm n GLY 7 Ca -0.17 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2dmm n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 8 N -0.35 3.23 -0.09 1.61 0.40 -1.26 -5.03 117.98 116.49 2dmm s PHE 8 Ca 0.00 -0.52 -0.31 0.00 -0.60 0.00 0.00 56.93 55.51 2dmm s PHE 8 Cb 0.00 -2.59 0.09 0.00 0.51 0.00 0.00 43.02 41.03 2dmm s PHE 8 CO 0.00 -0.56 0.81 0.16 0.70 0.00 0.00 175.22 176.33 2dmm s ASP 9 N 1.69 -0.54 0.00 1.36 1.47 -1.26 -5.06 116.67 114.34 2dmm s ASP 9 Ca 0.06 0.58 0.00 0.00 1.18 0.00 0.00 52.55 54.36 2dmm s ASP 9 Cb -0.19 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 2dmm s ASP 9 CO 0.10 -0.51 0.00 0.61 0.68 0.00 0.00 175.17 176.06 2dmm n GLY 10 N 0.81 0.15 3.41 2.12 0.00 -1.26 -4.99 105.19 105.43 2dmm n GLY 10 Ca -0.15 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 2dmm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmm s ASN 11 N -0.99 6.62 -0.21 1.61 2.20 -1.26 -4.95 114.94 117.96 2dmm s ASN 11 Ca 0.00 -2.14 -0.05 0.00 -0.94 0.00 0.00 52.86 49.74 2dmm s ASN 11 Cb 0.00 -2.34 0.07 0.00 -2.00 0.00 0.00 41.25 36.98 2dmm s ASN 11 CO 0.00 -0.95 0.11 -1.48 -2.94 0.00 0.00 177.10 171.84 2dmm s LEU 12 N 2.07 0.36 0.00 3.54 2.34 -1.26 -5.13 118.68 120.61 2dmm s LEU 12 Ca 0.27 -0.78 -0.22 0.00 0.06 0.00 0.00 54.13 53.46 2dmm s LEU 12 Cb -0.08 -0.23 0.08 0.00 -0.56 0.00 0.00 46.19 45.40 2dmm s LEU 12 CO -0.08 -0.37 1.03 2.29 -1.06 0.00 0.00 176.35 178.16 2dmm n LYS 13 N 5.27 0.62 -3.64 1.48 -0.00 -1.26 -4.41 118.16 116.22 2dmm n LYS 13 Ca -0.07 -1.43 -0.06 0.00 -0.00 0.00 0.00 58.31 56.76 2dmm n LYS 13 Cb 0.47 1.95 -0.07 0.00 -0.00 0.00 0.00 35.03 37.38 2dmm n LYS 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dmm s ARG 14 N -2.05 0.38 -0.05 -1.58 3.00 -1.26 -4.87 118.95 112.51 2dmm s ARG 14 Ca 0.23 0.51 -0.17 0.00 -1.00 0.00 0.00 55.73 55.30 2dmm s ARG 14 Cb -0.03 0.15 0.03 0.00 0.00 0.00 0.00 34.95 35.11 2dmm s ARG 14 CO 0.05 -0.06 0.38 1.52 0.00 0.00 0.00 175.30 177.20 2dmm s TYR 15 N 0.57 -0.30 -0.17 5.12 1.13 -1.26 -4.08 117.35 118.35 2dmm s TYR 15 Ca -0.00 0.56 0.06 0.00 -1.41 0.00 0.00 57.07 56.27 2dmm s TYR 15 Cb -0.04 0.15 -0.22 0.00 -1.10 0.00 0.00 41.96 40.75 2dmm s TYR 15 CO -0.10 -0.39 0.16 1.47 -2.51 0.00 0.00 175.55 174.18 2dmm n LEU 16 N 1.53 1.78 -4.77 -3.49 -0.00 -1.26 -5.00 117.00 105.79 2dmm n LEU 16 Ca -0.20 0.09 -0.30 0.00 -0.00 0.00 0.00 56.01 55.60 2dmm n LEU 16 Cb 0.56 -0.42 -0.07 0.00 -0.00 0.00 0.00 43.42 43.50 2dmm n LEU 16 CO 0.20 0.71 -0.19 -1.59 -0.00 0.00 0.00 177.39 176.52 2dmm s LYS 17 N -2.54 2.18 -0.23 1.47 -2.85 -1.26 -5.03 119.74 111.48 2dmm s LYS 17 Ca -0.20 -2.23 -0.30 0.00 -1.00 0.00 0.00 55.97 52.24 2dmm s LYS 17 Cb 0.07 -1.71 0.17 0.00 -2.06 0.00 0.00 37.83 34.30 2dmm s LYS 17 CO 0.74 -0.34 1.22 -1.54 0.10 0.00 0.00 175.35 175.53 2dmm s SER 18 N -3.94 -0.16 0.29 0.03 1.04 -1.26 -3.80 113.70 105.91 2dmm s SER 18 Ca 0.19 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2dmm s SER 18 Cb 0.02 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2dmm s SER 18 CO 0.11 -0.16 0.46 -1.61 0.98 0.00 0.00 173.24 173.02 2dmm s GLU 19 N -1.12 3.48 0.36 4.02 0.41 -1.26 -4.96 118.70 119.63 2dmm s GLU 19 Ca 0.05 -0.48 -0.27 0.00 -0.41 0.00 0.00 54.97 53.86 2dmm s GLU 19 Cb -0.01 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 2dmm s GLU 19 CO -0.04 0.28 1.21 -1.25 -0.49 0.00 0.00 175.26 174.97 2dmm s PRO 20 N -4.05 4.25 0.14 0.39 0.04 -1.26 -4.57 135.00 129.95 2dmm s PRO 20 Ca 0.38 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 2dmm s PRO 20 Cb -0.10 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.46 2dmm s PRO 20 CO 0.33 -0.19 1.36 0.42 0.04 0.00 0.00 177.00 178.95 2dmm s ILE 21 N -1.27 3.30 0.35 0.56 -1.09 -1.26 -4.99 121.20 116.81 2dmm s ILE 21 Ca 0.52 0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 59.64 2dmm s ILE 21 Cb -0.34 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 2dmm s ILE 21 CO 0.44 0.10 1.21 -2.16 -1.23 0.00 0.00 174.94 173.30 2dmm s PRO 22 N 0.70 4.30 0.39 2.79 0.04 -1.26 -4.93 135.00 137.02 2dmm s PRO 22 Ca 0.62 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.70 2dmm s PRO 22 Cb -0.36 -2.95 0.77 0.00 0.04 0.00 0.00 34.50 32.00 2dmm s PRO 22 CO 0.33 -0.16 2.04 1.05 0.04 0.00 0.00 177.00 180.30 2dmm h GLU 23 N 3.19 0.65 -2.26 4.56 4.11 -2.04 -3.43 114.58 119.36 2dmm h GLU 23 Ca -0.48 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.85 2dmm h GLU 23 Cb 1.23 -0.14 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 2dmm h GLU 23 CO 0.65 0.43 -0.03 0.45 0.07 0.00 0.00 179.01 180.58 2dmm s SER 24 N -6.61 -0.68 -0.41 3.06 0.15 -1.26 -5.06 113.70 102.89 2dmm s SER 24 Ca -0.09 1.24 0.06 0.00 0.70 0.00 0.00 55.95 57.86 2dmm s SER 24 Cb 0.17 1.22 0.43 0.00 -1.71 0.00 0.00 66.02 66.13 2dmm s SER 24 CO 0.74 -0.21 1.12 0.59 1.20 0.00 0.00 173.24 176.68 2dmm n ASN 25 N 3.18 4.55 -2.43 5.45 3.02 -1.26 -4.90 115.26 122.87 2dmm n ASN 25 Ca -0.16 -3.66 -0.22 0.00 -0.03 0.00 0.00 54.58 50.52 2dmm n ASN 25 Cb 0.56 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 2dmm n ASN 25 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dmm n ASP 26 N -0.50 6.30 -1.42 6.41 9.92 -1.26 -4.79 116.55 131.21 2dmm n ASP 26 Ca 0.38 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 2dmm n ASP 26 Cb 0.72 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dmm n GLY 27 N 2.16 5.17 0.23 0.44 0.00 -1.26 -5.06 105.19 106.88 2dmm n GLY 27 Ca 0.51 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 0.80 -5.28 1.61 0.13 -1.90 -3.43 132.00 123.93 2dmm h PRO 28 Ca 0.00 -0.42 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2dmm h PRO 28 Cb 0.00 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 30.84 2dmm h PRO 28 CO 0.00 1.05 -0.83 0.08 -0.23 0.00 0.00 178.00 178.07 2dmm s VAL 29 N -4.37 2.44 -0.23 1.56 1.01 -1.26 -3.24 120.40 116.31 2dmm s VAL 29 Ca -0.12 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2dmm s VAL 29 Cb 0.10 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2dmm s VAL 29 CO 0.85 0.54 1.32 -0.54 0.00 0.00 0.00 175.10 177.27 2dmm s LYS 30 N 0.52 4.05 -0.10 2.72 -0.14 0.24 -4.77 119.74 122.27 2dmm s LYS 30 Ca -0.12 1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 55.68 2dmm s LYS 30 Cb -0.17 -3.84 -0.03 0.00 -1.68 0.00 0.00 37.83 32.11 2dmm s LYS 30 CO 0.05 -0.94 1.32 0.08 -0.76 0.00 0.00 175.35 175.09 2dmm s VAL 31 N 4.04 4.09 -0.17 3.17 1.01 -1.26 -1.12 120.40 130.17 2dmm s VAL 31 Ca 0.57 1.37 -0.00 0.00 0.00 0.00 0.00 61.98 63.92 2dmm s VAL 31 Cb -0.20 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 2dmm s VAL 31 CO 0.20 -0.08 -0.14 -0.69 0.00 0.00 0.00 175.10 174.40 2dmm s VAL 32 N 3.10 2.75 0.05 2.92 1.01 0.01 -4.89 120.40 125.36 2dmm s VAL 32 Ca 0.59 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2dmm s VAL 32 Cb -0.25 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2dmm s VAL 32 CO 0.20 0.50 -0.17 0.68 0.00 0.00 0.00 175.10 176.31 2dmm s VAL 33 N 0.94 2.86 0.25 2.92 -7.23 -1.26 -4.04 120.40 114.83 2dmm s VAL 33 Ca -0.03 -1.22 0.10 0.00 -1.81 0.00 0.00 61.98 59.03 2dmm s VAL 33 Cb -0.15 -2.23 0.27 0.00 0.56 0.00 0.00 36.38 34.83 2dmm s VAL 33 CO -0.02 0.29 1.13 0.00 -0.31 0.00 0.00 175.10 176.20 2dmm n ALA 34 N 1.40 0.61 -0.14 1.32 0.00 -1.26 0.21 120.51 122.65 2dmm n ALA 34 Ca -0.16 0.74 -0.04 0.00 0.00 0.00 0.00 53.44 53.98 2dmm n ALA 34 Cb 0.52 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.34 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 0.29 -0.48 0.00 5.08 -1.89 -2.66 114.58 114.92 2dmm h GLU 35 Ca 0.55 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.59 2dmm h GLU 35 Cb 1.37 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.36 2dmm h GLU 35 CO -0.59 0.19 -0.21 0.27 -1.00 0.00 0.00 179.01 177.67 2dmm n ASN 36 N -5.03 3.49 0.14 1.42 6.94 0.56 -4.74 115.26 118.04 2dmm n ASN 36 Ca 0.04 -3.80 -0.09 0.00 -0.02 0.00 0.00 54.58 50.71 2dmm n ASN 36 Cb 0.18 -0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 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 1.38 -0.41 0.00 -2.53 3.04 0.33 -2.56 116.94 116.19 2dmm h PHE 37 Ca 0.28 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2dmm h PHE 37 Cb 1.48 0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.12 2dmm h PHE 37 CO 1.01 -0.15 0.00 -0.40 -2.02 0.00 0.00 178.31 176.75 2dmm n ASP 38 N -5.07 0.00 -0.06 0.41 5.75 -1.26 0.93 116.55 117.24 2dmm n ASP 38 Ca -0.07 0.22 -0.22 0.00 -0.01 0.00 0.00 54.79 54.71 2dmm n ASP 38 Cb 0.23 -0.30 -0.13 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.10 0.01 0.11 4.57 -1.76 -3.32 114.58 114.31 2dmm h GLU 39 Ca 0.00 -0.18 -0.39 0.00 -1.18 0.00 0.00 59.36 57.61 2dmm h GLU 39 Cb 0.07 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 2dmm h GLU 39 CO 0.00 1.09 -2.25 -0.89 -1.18 0.00 0.00 179.01 175.78 2dmm n ILE 40 N -4.11 1.55 0.39 2.32 5.41 -0.96 -4.62 119.36 119.34 2dmm n ILE 40 Ca -0.31 -0.41 -0.17 0.00 1.00 0.00 0.00 62.75 62.87 2dmm n ILE 40 Cb 0.81 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.89 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 -0.60 0.13 -3.16 1.39 2.07 0.34 -3.42 116.25 113.01 2dmm h VAL 41 Ca -0.58 -0.20 -0.56 0.00 0.82 0.00 0.00 66.70 66.18 2dmm h VAL 41 Cb 1.69 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2dmm h VAL 41 CO -0.24 0.01 0.65 0.20 0.02 0.00 0.00 177.57 178.22 2dmm s ASN 42 N -4.39 7.15 -0.30 0.57 0.02 -1.13 -4.78 114.94 112.08 2dmm s ASN 42 Ca -0.16 1.63 -0.15 0.00 -1.02 0.00 0.00 52.86 53.16 2dmm s ASN 42 Cb 0.02 -2.55 0.18 0.00 0.02 0.00 0.00 41.25 38.91 2dmm s ASN 42 CO 0.52 -0.53 1.12 0.54 0.02 0.00 0.00 177.10 178.76 2dmm s ASN 43 N 1.29 -0.31 -0.04 -1.22 4.22 -1.26 -4.44 114.94 113.18 2dmm s ASN 43 Ca 0.51 0.18 0.02 0.00 -2.14 0.00 0.00 52.86 51.43 2dmm s ASN 43 Cb -0.21 1.25 0.13 0.00 1.28 0.00 0.00 41.25 43.71 2dmm s ASN 43 CO 0.18 -0.06 0.70 -0.62 -2.04 0.00 0.00 177.10 175.27 2dmm n GLU 44 N 5.44 1.59 -0.09 3.55 -0.58 -1.26 -3.51 120.64 125.78 2dmm n GLU 44 Ca -0.06 -0.48 -0.12 0.00 -0.42 0.00 0.00 57.16 56.08 2dmm n GLU 44 Cb 0.55 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.73 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2dmm n ASN 45 N 0.10 2.62 -4.21 1.62 5.15 -1.26 -4.46 115.26 114.82 2dmm n ASN 45 Ca 0.04 -0.09 -0.12 0.00 -0.60 0.00 0.00 54.58 53.81 2dmm n ASN 45 Cb 0.40 -0.22 -0.10 0.00 -0.53 0.00 0.00 39.78 39.33 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 -2.34 1.10 -0.02 1.20 -2.85 -1.23 -5.08 119.74 110.51 2dmm s LYS 46 Ca -0.22 -1.55 -0.14 0.00 -1.00 0.00 0.00 55.97 53.06 2dmm s LYS 46 Cb 0.06 0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.81 2dmm s LYS 46 CO 0.40 -0.25 0.37 -0.51 0.10 0.00 0.00 175.35 175.47 2dmm s ASP 47 N -3.14 6.74 0.03 0.03 1.11 0.24 -4.58 116.67 117.10 2dmm s ASP 47 Ca 0.29 0.88 0.02 0.00 0.18 0.00 0.00 52.55 53.92 2dmm s ASP 47 Cb 0.07 -2.23 -0.02 0.00 1.07 0.00 0.00 42.92 41.81 2dmm s ASP 47 CO 0.06 0.32 -0.07 -0.69 1.18 0.00 0.00 175.17 175.97 2dmm s VAL 48 N -0.95 0.48 -0.29 -1.27 1.01 -0.99 -1.94 120.40 116.46 2dmm s VAL 48 Ca 0.22 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2dmm s VAL 48 Cb -0.16 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2dmm s VAL 48 CO 0.12 -0.30 -0.04 -0.22 0.00 0.00 0.00 175.10 174.66 2dmm s LEU 49 N -1.30 3.76 -0.03 3.92 2.96 -0.87 0.04 118.68 127.16 2dmm s LEU 49 Ca -0.08 -1.32 -0.17 0.00 -0.22 0.00 0.00 54.13 52.33 2dmm s LEU 49 Cb -0.09 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2dmm s LEU 49 CO 0.00 -0.24 0.48 -0.51 -1.32 0.00 0.00 176.35 174.76 2dmm s ILE 50 N 1.20 5.03 -0.15 6.68 1.10 -1.03 -2.18 121.20 131.84 2dmm s ILE 50 Ca -0.06 0.99 -0.00 0.00 -0.51 0.00 0.00 60.65 61.06 2dmm s ILE 50 Cb -0.20 -3.80 0.03 0.00 0.15 0.00 0.00 42.46 38.64 2dmm s ILE 50 CO -0.02 0.46 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.48 2dmm s GLU 51 N -0.36 1.82 -0.21 3.50 -6.30 -1.13 0.12 118.70 116.15 2dmm s GLU 51 Ca 0.26 -0.51 -0.17 0.00 -2.50 0.00 0.00 54.97 52.05 2dmm s GLU 51 Cb -0.17 -1.99 -0.04 0.00 0.00 0.00 0.00 34.13 31.94 2dmm s GLU 51 CO 0.14 -0.33 0.45 -0.06 0.02 0.00 0.00 175.26 175.47 2dmm s PHE 52 N 1.57 3.36 0.22 5.30 0.08 0.18 -1.39 117.98 127.31 2dmm s PHE 52 Ca 0.03 0.66 0.02 0.00 0.12 0.00 0.00 56.93 57.76 2dmm s PHE 52 Cb -0.14 -2.59 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2dmm s PHE 52 CO -0.09 -0.07 0.06 2.48 -0.10 0.00 0.00 175.22 177.51 2dmm n TYR 53 N 4.69 0.16 -3.85 0.36 0.18 -1.09 -1.39 117.16 116.23 2dmm n TYR 53 Ca -0.07 -1.37 -0.15 0.00 1.88 0.00 0.00 57.90 58.19 2dmm n TYR 53 Cb 0.51 -0.03 -0.16 0.00 -0.38 0.00 0.00 39.34 39.28 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 -2.56 0.16 -1.69 -3.48 0.00 -1.26 -3.38 121.76 109.54 2dmm s ALA 54 Ca 0.09 0.20 0.15 0.00 0.00 0.00 0.00 51.96 52.41 2dmm s ALA 54 Cb 0.00 -0.23 0.83 0.00 0.00 0.00 0.00 23.12 23.72 2dmm s ALA 54 CO 0.06 -0.07 1.38 -0.35 0.00 0.00 0.00 175.76 176.78 2dmm n PRO 55 N 3.98 0.34 0.00 0.00 -0.04 -1.26 -1.97 135.00 136.04 2dmm n PRO 55 Ca -0.25 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2dmm n PRO 55 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.15 0.00 -3.44 0.54 4.27 -1.26 -5.01 117.44 111.39 2dmm n TRP 56 Ca 0.09 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.33 2dmm n TRP 56 Cb 0.09 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.98 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 6.01 0.94 0.49 0.00 0.00 -1.95 -2.78 103.07 105.77 2dmm h GLY 58 Ca -0.45 -0.74 0.20 0.00 0.00 0.00 0.00 47.33 46.34 2dmm h GLY 58 CO 0.71 0.68 0.57 0.45 0.00 0.00 0.00 176.54 178.94 2dmm h HIS 59 N 0.71 0.00 -0.20 5.60 3.86 -1.94 0.74 115.15 123.92 2dmm h HIS 59 Ca 0.12 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2dmm h HIS 59 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 2dmm h HIS 59 CO 0.05 0.00 -0.21 0.00 0.86 0.00 0.00 177.93 178.62 2dmm h LYS 61 N 0.17 0.72 -0.11 0.00 1.63 -0.93 1.45 116.57 119.51 2dmm h LYS 61 Ca 0.03 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.55 2dmm h LYS 61 Cb 0.77 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2dmm h LYS 61 CO 0.05 0.63 -0.62 -0.97 -3.45 0.00 0.00 179.45 175.09 2dmm h ASN 62 N 0.65 0.43 1.48 4.20 -0.73 -1.41 -3.05 115.58 117.15 2dmm h ASN 62 Ca 0.17 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.09 2dmm h ASN 62 Cb 0.16 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2dmm h ASN 62 CO -0.02 0.95 -0.44 0.25 -0.37 0.00 0.00 177.43 177.80 2dmm h LEU 63 N 0.28 0.00 -0.51 0.34 5.85 -0.53 -3.35 115.31 117.39 2dmm h LEU 63 Ca -0.01 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2dmm h LEU 63 Cb 1.16 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 2dmm h LEU 63 CO 0.11 0.01 -0.50 -0.08 -0.34 0.00 0.00 178.44 177.64 2dmm h GLU 64 N 0.00 -0.29 -0.03 1.25 4.81 0.21 0.49 114.58 121.02 2dmm h GLU 64 Ca 0.00 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2dmm h GLU 64 Cb 0.96 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2dmm h GLU 64 CO 0.00 -0.19 -0.48 -1.00 -0.73 0.00 0.00 179.01 176.61 2dmm h PRO 65 N -0.30 0.08 0.00 0.92 0.13 -1.73 0.19 132.00 131.29 2dmm h PRO 65 Ca 0.13 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 2dmm h PRO 65 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2dmm h PRO 65 CO -0.65 0.54 -0.34 0.87 -0.23 0.00 0.00 178.00 178.19 2dmm h LYS 66 N 0.07 0.00 0.04 0.86 1.57 -1.24 -3.02 116.57 114.85 2dmm h LYS 66 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 2dmm h LYS 66 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 2dmm h LYS 66 CO 0.07 0.34 -2.22 0.98 -0.57 0.00 0.00 179.45 178.05 2dmm n TYR 67 N -3.67 0.53 -0.02 -1.35 9.36 0.16 -4.25 117.16 117.92 2dmm n TYR 67 Ca -0.01 0.13 -0.14 0.00 3.32 0.00 0.00 57.90 61.20 2dmm n TYR 67 Cb 0.45 -1.07 -0.08 0.00 -0.63 0.00 0.00 39.34 38.01 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 -0.16 -0.52 -0.96 2.98 3.64 -0.67 -1.63 116.57 119.24 2dmm h LYS 68 Ca -0.52 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.07 2dmm h LYS 68 Cb 1.87 0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 33.63 2dmm h LYS 68 CO -0.07 -0.34 -0.28 0.39 -2.27 0.00 0.00 179.45 176.87 2dmm n GLU 69 N -5.43 -0.13 -0.34 1.90 4.71 -1.14 0.15 120.64 120.35 2dmm n GLU 69 Ca -0.05 1.50 0.17 0.00 -0.01 0.00 0.00 57.16 58.77 2dmm n GLU 69 Cb 0.37 -2.23 0.38 0.00 -1.01 0.00 0.00 31.44 28.95 2dmm n GLU 69 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2dmm h LEU 70 N 0.00 0.67 0.48 -4.62 5.85 -1.50 0.44 115.31 116.62 2dmm h LEU 70 Ca 0.42 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.26 2dmm h LEU 70 Cb 0.66 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dmm h LEU 70 CO -0.98 0.11 -0.23 1.23 -0.34 0.00 0.00 178.44 178.23 2dmm h GLY 71 N 0.58 -0.68 2.00 3.75 0.00 0.15 0.28 103.07 109.15 2dmm h GLY 71 Ca 0.64 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 48.16 2dmm h GLY 71 CO -0.47 -0.25 -0.29 1.05 0.00 0.00 0.00 176.54 176.58 2dmm h GLU 72 N -0.72 0.00 -0.07 4.80 4.11 -1.06 -1.10 114.58 120.53 2dmm h GLU 72 Ca -0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.26 2dmm h GLU 72 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2dmm h GLU 72 CO 0.11 0.29 -0.37 0.87 0.07 0.00 0.00 179.01 179.98 2dmm h LYS 73 N 0.00 0.37 -0.04 1.06 1.79 0.06 -3.10 116.57 116.71 2dmm h LYS 73 Ca -0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2dmm h LYS 73 Cb 0.57 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2dmm h LYS 73 CO 0.04 0.95 0.00 1.28 -1.08 0.00 0.00 179.45 180.64 2dmm n LEU 74 N -4.38 0.52 0.03 2.94 4.77 0.96 -4.00 117.00 117.84 2dmm n LEU 74 Ca -0.08 -0.20 0.22 0.00 -0.03 0.00 0.00 56.01 55.91 2dmm n LEU 74 Cb 0.53 -0.02 0.68 0.00 -2.33 0.00 0.00 43.42 42.27 2dmm n LEU 74 CO 0.43 0.10 1.20 -1.28 -1.33 0.00 0.00 177.39 176.51 2dmm h SER 75 N 0.72 0.00 -0.37 -1.43 0.87 -1.12 1.03 113.55 113.25 2dmm h SER 75 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2dmm h SER 75 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2dmm h SER 75 CO 0.00 0.00 0.07 0.29 -0.53 0.00 0.00 176.83 176.66 2dmm n LYS 76 N -3.57 2.94 -3.47 2.24 4.76 -1.26 -4.76 118.16 115.05 2dmm n LYS 76 Ca 0.11 -1.78 -0.43 0.00 -2.87 0.00 0.00 58.31 53.34 2dmm n LYS 76 Cb 0.82 -1.89 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dmm s ASP 77 N -0.41 5.94 0.00 4.39 1.11 0.36 -4.91 116.67 123.14 2dmm s ASP 77 Ca 0.31 -2.05 0.15 0.00 0.18 0.00 0.00 52.55 51.15 2dmm s ASP 77 Cb 0.24 -2.08 0.79 0.00 1.07 0.00 0.00 42.92 42.95 2dmm s ASP 77 CO 0.09 -0.70 1.39 -0.81 1.18 0.00 0.00 175.17 176.32 2dmm n PRO 78 N 4.78 0.28 -0.02 8.23 -0.04 -1.26 -3.17 135.00 143.80 2dmm n PRO 78 Ca -0.06 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2dmm n PRO 78 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.21 3.65 -4.86 3.54 3.02 -1.26 -4.98 115.26 113.15 2dmm n ASN 79 Ca 0.08 -0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.24 2dmm n ASN 79 Cb 0.10 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.09 5.28 -0.12 2.41 1.01 -1.19 -0.59 121.20 125.91 2dmm s ILE 80 Ca -0.06 0.48 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 2dmm s ILE 80 Cb 0.02 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.98 2dmm s ILE 80 CO 0.11 0.58 0.06 -0.69 0.00 0.00 0.00 174.94 175.00 2dmm s VAL 81 N -1.08 0.07 -0.09 2.92 1.01 -0.82 -4.52 120.40 117.90 2dmm s VAL 81 Ca 0.20 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 2dmm s VAL 81 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2dmm s VAL 81 CO 0.09 -0.05 0.94 -0.63 0.00 0.00 0.00 175.10 175.45 2dmm s ILE 82 N 2.08 4.85 0.16 2.22 -1.09 -1.26 -2.04 121.20 126.11 2dmm s ILE 82 Ca 0.03 1.91 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 2dmm s ILE 82 Cb -0.14 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 2dmm s ILE 82 CO -0.06 0.08 0.02 0.00 -1.23 0.00 0.00 174.94 173.74 2dmm s ALA 83 N 1.65 1.17 -0.01 9.38 0.00 -0.93 -0.59 121.76 132.43 2dmm s ALA 83 Ca 0.46 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2dmm s ALA 83 Cb -0.19 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.58 2dmm s ALA 83 CO 0.20 -0.38 -0.04 -1.59 0.00 0.00 0.00 175.76 173.95 2dmm s LYS 84 N -3.96 0.36 0.01 0.00 -2.85 -0.27 -2.82 119.74 110.22 2dmm s LYS 84 Ca 0.23 -0.12 0.02 0.00 -1.00 0.00 0.00 55.97 55.10 2dmm s LYS 84 Cb 0.07 -0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 35.45 2dmm s LYS 84 CO 0.03 0.06 -0.07 1.41 0.10 0.00 0.00 175.35 176.87 2dmm s MET 85 N 0.08 0.55 -0.34 1.78 1.75 -0.48 -0.81 119.30 121.82 2dmm s MET 85 Ca -0.00 -0.43 -0.19 0.00 -1.25 0.00 0.00 55.69 53.82 2dmm s MET 85 Cb -0.04 -0.47 -0.00 0.00 2.84 0.00 0.00 34.83 37.16 2dmm s MET 85 CO -0.00 0.12 0.54 0.34 -0.65 0.00 0.00 175.02 175.37 2dmm s ASP 86 N -0.65 6.35 0.00 1.11 2.15 -1.26 -2.66 116.67 121.71 2dmm s ASP 86 Ca -0.01 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.02 2dmm s ASP 86 Cb -0.05 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2dmm s ASP 86 CO 0.00 -0.49 0.54 0.00 -0.17 0.00 0.00 175.17 175.04 2dmm n ALA 87 N 5.80 -0.26 0.02 3.66 0.00 -1.22 0.16 120.51 128.67 2dmm n ALA 87 Ca -0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.58 2dmm n ALA 87 Cb 0.49 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.31 2dmm n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmm h THR 88 N 0.00 0.04 0.00 0.00 1.03 -1.94 1.34 112.91 113.38 2dmm h THR 88 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 66.41 66.03 2dmm h THR 88 Cb 0.00 0.12 -0.07 0.00 -1.07 0.00 0.00 68.15 67.13 2dmm h THR 88 CO 0.00 0.00 -2.34 0.00 -0.01 0.00 0.00 175.52 173.17 2dmm n ALA 89 N -2.01 1.48 -3.87 0.00 0.00 -1.19 -4.87 120.51 110.04 2dmm n ALA 89 Ca 0.13 -1.24 -0.29 0.00 0.00 0.00 0.00 53.44 52.04 2dmm n ALA 89 Cb 1.20 -0.23 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.73 3.31 0.04 0.00 0.01 0.46 -4.00 114.94 109.03 2dmm s ASN 90 Ca -0.14 -0.94 -0.38 0.00 -0.71 0.00 0.00 52.86 50.69 2dmm s ASN 90 Cb 0.07 -0.94 -0.18 0.00 0.41 0.00 0.00 41.25 40.61 2dmm s ASN 90 CO 0.79 -0.24 1.29 -0.67 -1.51 0.00 0.00 177.10 176.75 2dmm n ASP 91 N 4.83 1.23 -4.71 -1.22 2.03 -1.23 -4.07 116.55 113.41 2dmm n ASP 91 Ca -0.11 1.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.91 2dmm n ASP 91 Cb 0.46 -1.11 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 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 0.49 4.48 0.00 5.18 1.01 -1.26 -4.77 120.40 125.53 2dmm s VAL 92 Ca 0.87 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.64 2dmm s VAL 92 Cb -1.05 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.18 2dmm s VAL 92 CO 0.51 0.15 0.00 -0.81 0.00 0.00 0.00 175.10 174.94 2dmm n PRO 93 N 3.85 0.22 -4.29 2.72 -0.04 -1.26 -4.84 135.00 131.37 2dmm n PRO 93 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 2dmm n PRO 93 Cb 0.49 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmm s SER 94 N -1.51 1.94 0.00 3.54 0.01 -1.26 -3.34 113.70 113.08 2dmm s SER 94 Ca 0.00 -1.07 0.15 0.00 1.31 0.00 0.00 55.95 56.34 2dmm s SER 94 Cb 0.00 -0.03 0.78 0.00 0.21 0.00 0.00 66.02 66.98 2dmm s SER 94 CO 0.00 -0.35 1.39 -0.81 0.41 0.00 0.00 173.24 173.88 2dmm n PRO 95 N -0.29 0.26 -1.07 12.44 -0.04 -1.26 -4.46 135.00 140.59 2dmm n PRO 95 Ca -0.09 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 2dmm n PRO 95 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.23 0.74 -4.87 0.54 4.01 -1.21 -4.93 117.16 110.21 2dmm n TYR 96 Ca 0.08 0.73 -0.27 0.00 -0.16 0.00 0.00 57.90 58.27 2dmm n TYR 96 Cb 0.11 -1.43 -0.16 0.00 -0.31 0.00 0.00 39.34 37.54 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 0.86 2.09 -0.08 -0.72 2.02 -1.26 -4.60 118.70 117.01 2dmm s GLU 97 Ca 0.64 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 2dmm s GLU 97 Cb -0.91 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 31.65 2dmm s GLU 97 CO 0.45 0.17 0.15 0.08 0.02 0.00 0.00 175.26 176.13 2dmm s VAL 98 N 0.29 -0.17 0.00 2.63 1.01 -1.26 -5.01 120.40 117.88 2dmm s VAL 98 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2dmm s VAL 98 Cb -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2dmm s VAL 98 CO 0.04 0.12 0.00 0.54 0.00 0.00 0.00 175.10 175.80 2dmm n ARG 99 N 4.84 0.14 -4.46 2.72 5.12 -1.26 -5.05 116.66 118.72 2dmm n ARG 99 Ca -0.14 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.45 2dmm n ARG 99 Cb 0.51 -0.76 -0.16 0.00 -1.16 0.00 0.00 32.46 30.89 2dmm n ARG 99 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2dmm s GLY 100 N -3.41 1.39 0.19 -0.13 0.00 -1.26 -5.12 107.32 98.97 2dmm s GLY 100 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2dmm s GLY 100 CO 0.00 0.09 0.37 -1.36 0.00 0.00 0.00 173.10 172.20 2dmm s PHE 101 N 0.98 3.48 0.82 1.90 0.40 -1.26 -4.11 117.98 120.19 2dmm s PHE 101 Ca -0.03 0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2dmm s PHE 101 Cb -0.15 -1.81 0.08 0.00 0.51 0.00 0.00 43.02 41.66 2dmm s PHE 101 CO -0.05 0.40 1.09 -1.25 0.70 0.00 0.00 175.22 176.11 2dmm s PRO 102 N -3.33 1.91 -0.17 0.24 0.04 -1.26 -5.02 135.00 127.40 2dmm s PRO 102 Ca 0.38 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 2dmm s PRO 102 Cb -0.11 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.63 2dmm s PRO 102 CO 0.29 -1.85 0.09 0.99 0.04 0.00 0.00 177.00 176.56 2dmm s THR 103 N -2.92 -0.09 -0.15 1.26 2.01 -0.48 -5.06 115.64 110.21 2dmm s THR 103 Ca 0.62 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 2dmm s THR 103 Cb -0.17 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2dmm s THR 103 CO 0.56 -0.29 0.06 -0.63 -0.69 0.00 0.00 174.62 173.63 2dmm s ILE 104 N 2.14 4.75 0.40 1.82 1.01 -1.26 0.52 121.20 130.58 2dmm s ILE 104 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2dmm s ILE 104 Cb -0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2dmm s ILE 104 CO -0.10 0.52 0.12 -0.31 0.00 0.00 0.00 174.94 175.18 2dmm s TYR 105 N -0.16 1.79 -0.09 3.97 1.51 0.12 -1.99 117.35 122.50 2dmm s TYR 105 Ca 0.07 -1.26 -0.04 0.00 -1.01 0.00 0.00 57.07 54.83 2dmm s TYR 105 Cb -0.12 -1.17 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 2dmm s TYR 105 CO 0.01 -0.28 0.21 0.12 -1.11 0.00 0.00 175.55 174.50 2dmm s PHE 106 N -3.22 -0.27 -0.59 2.71 5.36 0.33 -2.45 117.98 119.85 2dmm s PHE 106 Ca 0.25 0.68 -0.14 0.00 -0.96 0.00 0.00 56.93 56.76 2dmm s PHE 106 Cb 0.03 -0.02 0.15 0.00 -0.34 0.00 0.00 43.02 42.84 2dmm s PHE 106 CO 0.14 -0.22 0.52 0.45 -1.46 0.00 0.00 175.22 174.66 2dmm s SER 107 N 1.34 6.17 0.96 6.13 0.15 0.11 -2.16 113.70 126.40 2dmm s SER 107 Ca -0.08 -2.03 -0.12 0.00 0.70 0.00 0.00 55.95 54.42 2dmm s SER 107 Cb -0.11 -2.16 0.16 0.00 -1.71 0.00 0.00 66.02 62.20 2dmm s SER 107 CO -0.07 -0.75 1.09 -2.16 1.20 0.00 0.00 173.24 172.54 2dmm s PRO 108 N 1.21 0.77 0.13 5.44 0.04 -1.26 -2.33 135.00 139.00 2dmm s PRO 108 Ca 0.07 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 2dmm s PRO 108 Cb -0.25 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2dmm s PRO 108 CO -0.00 -2.53 0.82 0.00 0.04 0.00 0.00 177.00 175.33 2dmm s ALA 109 N -2.95 3.38 -0.77 8.56 0.00 -1.26 -3.71 121.76 125.01 2dmm s ALA 109 Ca 0.65 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2dmm s ALA 109 Cb -0.18 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2dmm s ALA 109 CO 0.57 0.17 0.00 0.27 0.00 0.00 0.00 175.76 176.77 2dmm n ASN 110 N 2.11 -2.86 -1.01 0.00 6.94 -1.26 -4.76 115.26 114.43 2dmm n ASN 110 Ca -0.03 0.27 0.05 0.00 -0.02 0.00 0.00 54.58 54.85 2dmm n ASN 110 Cb 0.49 -2.54 0.12 0.00 -2.36 0.00 0.00 39.78 35.49 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 -2.47 0.84 0.15 -3.83 5.02 -1.24 -4.88 118.16 111.75 2dmm n LYS 111 Ca -0.10 -2.68 -0.15 0.00 -2.02 0.00 0.00 58.31 53.37 2dmm n LYS 111 Cb 0.51 -0.86 -0.07 0.00 -0.02 0.00 0.00 35.03 34.59 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 0.98 -0.65 -0.86 1.97 1.79 -1.86 -2.27 116.57 115.66 2dmm h LYS 112 Ca -0.11 0.04 0.20 0.00 -2.18 0.00 0.00 60.65 58.61 2dmm h LYS 112 Cb 1.42 0.15 -0.16 0.00 -1.58 0.00 0.00 32.23 32.06 2dmm h LYS 112 CO 0.05 -0.44 -0.08 -0.07 -1.08 0.00 0.00 179.45 177.83 2dmm h LEU 113 N -0.68 -0.58 -7.32 2.94 3.38 -1.94 -3.13 115.31 107.99 2dmm h LEU 113 Ca 0.01 0.24 -0.64 0.00 0.09 0.00 0.00 57.88 57.58 2dmm h LEU 113 Cb 0.67 0.46 -0.41 0.00 0.09 0.00 0.00 40.66 41.48 2dmm h LEU 113 CO -0.18 -0.27 -0.58 0.21 0.09 0.00 0.00 178.44 177.71 2dmm s ASN 114 N -5.17 4.55 0.39 -0.43 2.47 -0.88 -4.85 114.94 111.02 2dmm s ASN 114 Ca -0.14 -3.22 0.00 0.00 0.42 0.00 0.00 52.86 49.92 2dmm s ASN 114 Cb 0.25 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.38 2dmm s ASN 114 CO 0.76 -0.21 0.00 -0.81 -3.72 0.00 0.00 177.10 173.13 2dmm n PRO 115 N 2.84 0.21 -3.71 0.43 -0.04 -1.06 -4.83 135.00 128.84 2dmm n PRO 115 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2dmm n PRO 115 Cb 0.33 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.17 0.34 -0.14 0.54 -0.14 -0.92 -4.98 119.74 113.28 2dmm s LYS 116 Ca 0.00 0.66 -0.06 0.00 -1.36 0.00 0.00 55.97 55.21 2dmm s LYS 116 Cb 0.00 -0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 36.10 2dmm s LYS 116 CO 0.00 -0.14 0.09 0.21 -0.76 0.00 0.00 175.35 174.75 2dmm s LYS 117 N 1.15 3.55 -0.28 1.68 2.20 -1.26 0.12 119.74 126.90 2dmm s LYS 117 Ca -0.08 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 54.99 2dmm s LYS 117 Cb -0.08 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2dmm s LYS 117 CO -0.09 0.59 1.86 -0.47 -0.36 0.00 0.00 175.35 176.88 2dmm s TYR 118 N -0.50 1.70 -0.38 4.03 5.04 -0.84 -4.87 117.35 121.52 2dmm s TYR 118 Ca 0.11 0.56 0.04 0.00 -2.44 0.00 0.00 57.07 55.33 2dmm s TYR 118 Cb -0.12 -4.08 0.11 0.00 0.35 0.00 0.00 41.96 38.22 2dmm s TYR 118 CO 0.02 -3.26 0.11 -1.21 -1.34 0.00 0.00 175.55 169.87 2dmm s GLU 119 N 5.62 1.53 0.00 4.97 2.02 -1.26 -4.76 118.70 126.81 2dmm s GLU 119 Ca 0.83 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2dmm s GLU 119 Cb -0.26 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.87 2dmm s GLU 119 CO 0.34 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 175.04 2dmm n GLY 120 N 4.01 -0.73 3.77 -1.39 0.00 -1.26 -5.14 105.19 104.45 2dmm n GLY 120 Ca 0.04 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 2.90 -0.26 -0.02 0.00 -1.26 -4.95 107.32 103.73 2dmm s GLY 121 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 44.72 45.21 2dmm s GLY 121 CO 0.00 0.99 2.35 0.54 0.00 0.00 0.00 173.10 176.98 2dmm n ARG 122 N 0.99 1.83 -4.08 2.90 1.74 -1.26 -4.49 116.66 114.28 2dmm n ARG 122 Ca -0.01 -1.43 -0.34 0.00 -0.77 0.00 0.00 57.85 55.30 2dmm n ARG 122 Cb 0.49 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.22 3.85 0.14 5.56 2.56 -1.26 -4.97 118.70 123.36 2dmm s GLU 123 Ca 0.36 -0.36 -0.16 0.00 0.00 0.00 0.00 54.97 54.80 2dmm s GLU 123 Cb 0.24 -3.14 0.08 0.00 2.00 0.00 0.00 34.13 33.31 2dmm s GLU 123 CO -0.05 0.32 1.09 -0.11 -0.56 0.00 0.00 175.26 175.95 2dmm n LEU 124 N 3.37 -0.58 0.07 2.70 -0.00 -1.26 0.70 117.00 122.00 2dmm n LEU 124 Ca -0.17 1.24 -0.12 0.00 -0.00 0.00 0.00 56.01 56.96 2dmm n LEU 124 Cb 0.52 -0.23 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 2dmm n LEU 124 CO 0.34 -1.07 0.84 0.28 -0.00 0.00 0.00 177.39 177.79 2dmm h SER 125 N 0.00 -0.10 -1.12 1.96 0.02 -1.94 -2.18 113.55 110.18 2dmm h SER 125 Ca 0.19 0.01 0.32 0.00 -0.84 0.00 0.00 61.79 61.47 2dmm h SER 125 Cb 0.36 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 2dmm h SER 125 CO -0.68 -0.07 0.71 -0.78 -1.14 0.00 0.00 176.83 174.87 2dmm h ASP 126 N -0.10 0.39 -0.22 3.07 1.82 -0.02 0.32 116.42 121.69 2dmm h ASP 126 Ca -0.00 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 2dmm h ASP 126 Cb 0.09 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 2dmm h ASP 126 CO -0.00 -0.01 -0.28 -0.26 -1.61 0.00 0.00 179.24 177.07 2dmm h PHE 127 N 0.30 0.71 0.75 0.28 0.04 -0.51 -1.72 116.94 116.79 2dmm h PHE 127 Ca 0.67 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 61.18 2dmm h PHE 127 Cb 1.83 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.83 2dmm h PHE 127 CO -0.00 0.94 -0.42 0.82 -0.60 0.00 0.00 178.31 179.05 2dmm h ILE 128 N 0.28 0.14 -0.18 -0.55 2.04 -0.04 -2.00 117.51 117.20 2dmm h ILE 128 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2dmm h ILE 128 Cb 0.85 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2dmm h ILE 128 CO 0.07 0.00 0.12 -1.28 0.00 0.00 0.00 178.15 177.06 2dmm h SER 129 N -1.09 0.15 0.33 1.72 0.87 -1.35 0.20 113.55 114.40 2dmm h SER 129 Ca -0.10 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2dmm h SER 129 Cb 0.86 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2dmm h SER 129 CO 0.12 0.11 -0.16 0.22 -0.53 0.00 0.00 176.83 176.59 2dmm h TYR 130 N 0.18 -0.42 -0.32 2.24 5.03 -0.90 -3.09 116.97 119.70 2dmm h TYR 130 Ca 0.07 -0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.19 2dmm h TYR 130 Cb 0.06 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 2dmm h TYR 130 CO -0.00 -0.25 -0.50 -0.07 -1.32 0.00 0.00 178.16 176.02 2dmm h LEU 131 N -0.46 0.98 -1.02 2.82 3.38 -0.99 -1.60 115.31 118.40 2dmm h LEU 131 Ca -0.05 -0.50 0.37 0.00 0.09 0.00 0.00 57.88 57.79 2dmm h LEU 131 Cb 0.35 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 40.71 2dmm h LEU 131 CO 0.08 1.30 0.64 0.00 0.09 0.00 0.00 178.44 180.54 2dmm n GLN 132 N -4.02 -0.03 -0.05 1.13 1.13 0.03 -0.08 117.38 115.48 2dmm n GLN 132 Ca -0.04 1.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.94 2dmm n GLN 132 Cb 0.60 -1.95 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 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 -4.37 0.36 -0.32 -1.09 5.12 -1.20 -4.41 116.66 110.75 2dmm n ARG 133 Ca 0.31 0.15 0.05 0.00 -1.93 0.00 0.00 57.85 56.43 2dmm n ARG 133 Cb 1.19 -1.12 0.14 0.00 -1.16 0.00 0.00 32.46 31.50 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dmm h GLU 134 N -0.66 0.01 -6.03 5.56 4.39 -0.83 -3.37 114.58 113.65 2dmm h GLU 134 Ca -0.11 -0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.01 2dmm h GLU 134 Cb 0.84 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2dmm h GLU 134 CO -0.07 0.00 1.46 0.00 -1.16 0.00 0.00 179.01 179.25 2dmm s ALA 135 N -6.22 2.70 0.00 3.43 0.00 0.88 -4.89 121.76 117.67 2dmm s ALA 135 Ca -0.15 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2dmm s ALA 135 Cb 0.25 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2dmm s ALA 135 CO 0.77 -2.84 0.56 0.25 0.00 0.00 0.00 175.76 174.49 2dmm n THR 136 N 7.71 0.00 -0.94 0.00 -2.24 -1.26 -0.38 114.28 117.17 2dmm n THR 136 Ca 0.29 0.91 -0.23 0.00 -2.27 0.00 0.00 64.05 62.74 2dmm n THR 136 Cb 0.46 -1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 2dmm n THR 136 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dmm n SER 137 N -1.96 5.93 -4.35 3.42 2.88 -1.26 -4.94 113.62 113.34 2dmm n SER 137 Ca 0.00 -2.38 -0.41 0.00 -1.33 0.00 0.00 58.87 54.75 2dmm n SER 137 Cb 0.00 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 62.22 2dmm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmm n GLY 138 N 3.32 -2.38 3.77 0.46 0.00 0.49 -4.91 105.19 105.94 2dmm n GLY 138 Ca 0.52 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.30 2.46 0.69 1.61 0.04 -1.26 -5.02 135.00 132.22 2dmm s PRO 139 Ca 0.61 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 2dmm s PRO 139 Cb -0.57 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.07 2dmm s PRO 139 CO 0.61 -1.50 1.08 0.45 0.04 0.00 0.00 177.00 177.68 2dmm s SER 140 N -3.09 5.16 -1.32 6.66 0.15 -1.26 -3.83 113.70 116.17 2dmm s SER 140 Ca 0.63 1.77 -0.04 0.00 0.70 0.00 0.00 55.95 59.01 2dmm s SER 140 Cb -0.18 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2dmm s SER 140 CO 0.51 -1.59 0.97 -0.24 1.20 0.00 0.00 173.24 174.09 2dmm n SER 141 N -2.94 -3.38 -0.60 5.45 2.88 -1.26 -5.22 113.62 108.56 2dmm n SER 141 Ca 0.09 -0.67 0.13 0.00 -1.33 0.00 0.00 58.87 57.09 2dmm n SER 141 Cb 0.53 -4.66 0.42 0.00 -0.75 0.00 0.00 64.21 59.75 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42