#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 6.25 0.24 1.61 1.04 -1.26 -4.99 113.70 116.60 2dmm s SER 2 Ca 0.00 1.84 0.09 0.00 0.48 0.00 0.00 55.95 58.35 2dmm s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2dmm s SER 2 CO 0.00 -1.33 0.03 -0.55 0.98 0.00 0.00 173.24 172.37 2dmm s SER 3 N 4.86 4.76 0.00 7.02 0.15 -1.26 -5.09 113.70 124.14 2dmm s SER 3 Ca 0.78 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2dmm s SER 3 Cb -0.29 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2dmm s SER 3 CO 0.32 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dmm n GLY 4 N -0.74 3.78 3.53 9.45 0.00 -1.26 -5.13 105.19 114.82 2dmm n GLY 4 Ca -0.08 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 2dmm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmm s SER 5 N 0.00 4.11 1.00 1.61 1.04 -1.26 -5.13 113.70 115.06 2dmm s SER 5 Ca 0.00 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 2dmm s SER 5 Cb 0.00 -0.66 0.19 0.00 0.10 0.00 0.00 66.02 65.64 2dmm s SER 5 CO 0.00 0.17 1.09 -0.55 0.98 0.00 0.00 173.24 174.93 2dmm s SER 6 N -2.28 2.63 0.00 7.02 0.15 -1.26 -4.97 113.70 114.99 2dmm s SER 6 Ca 0.20 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.08 2dmm s SER 6 Cb -0.10 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2dmm s SER 6 CO 0.12 -3.13 0.00 0.61 1.20 0.00 0.00 173.24 172.04 2dmm n GLY 7 N -1.03 0.92 3.54 9.45 0.00 -1.26 -5.09 105.19 111.72 2dmm n GLY 7 Ca 0.05 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.43 2.91 -0.25 1.61 0.40 -1.26 -5.10 117.98 113.86 2dmm s PHE 8 Ca 0.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2dmm s PHE 8 Cb 0.00 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.80 2dmm s PHE 8 CO 0.00 0.20 -0.05 0.16 0.70 0.00 0.00 175.22 176.23 2dmm s ASP 9 N -0.50 4.39 0.30 1.36 1.47 -1.26 -5.09 116.67 117.34 2dmm s ASP 9 Ca 0.07 -0.92 0.03 0.00 1.18 0.00 0.00 52.55 52.91 2dmm s ASP 9 Cb -0.12 -1.67 -0.03 0.00 -0.34 0.00 0.00 42.92 40.77 2dmm s ASP 9 CO 0.02 -0.14 0.29 -0.83 0.68 0.00 0.00 175.17 175.18 2dmm s GLY 10 N 1.32 1.89 -0.29 2.12 0.00 -1.26 -5.14 107.32 105.96 2dmm s GLY 10 Ca -0.01 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 42.89 2dmm s GLY 10 CO -0.04 -1.33 0.02 -1.31 0.00 0.00 0.00 173.10 170.44 2dmm s ASN 11 N -3.28 4.20 -0.74 1.64 -0.87 -1.26 -5.07 114.94 109.57 2dmm s ASN 11 Ca 0.38 -1.61 -0.22 0.00 -1.57 0.00 0.00 52.86 49.84 2dmm s ASN 11 Cb 0.03 -1.25 0.08 0.00 -0.02 0.00 0.00 41.25 40.09 2dmm s ASN 11 CO 0.22 -0.33 1.02 -0.76 -2.57 0.00 0.00 177.10 174.69 2dmm s LEU 12 N 1.29 4.49 -0.24 0.60 1.02 -1.26 -4.96 118.68 119.62 2dmm s LEU 12 Ca 0.03 -1.25 -0.19 0.00 0.02 0.00 0.00 54.13 52.75 2dmm s LEU 12 Cb -0.19 -2.42 0.07 0.00 0.02 0.00 0.00 46.19 43.67 2dmm s LEU 12 CO -0.12 -1.36 0.62 -1.59 0.02 0.00 0.00 176.35 173.92 2dmm s LYS 13 N 3.80 0.68 -0.20 1.70 0.00 -1.25 -4.25 119.74 120.22 2dmm s LYS 13 Ca 0.26 0.96 -0.09 0.00 0.00 0.00 0.00 55.97 57.10 2dmm s LYS 13 Cb -0.13 0.25 0.08 0.00 0.00 0.00 0.00 37.83 38.02 2dmm s LYS 13 CO 0.05 -0.11 0.45 1.03 0.00 0.00 0.00 175.35 176.76 2dmm s ARG 14 N 0.84 0.39 0.05 1.78 1.81 -1.26 -4.82 118.95 117.73 2dmm s ARG 14 Ca -0.04 0.98 -0.08 0.00 -1.72 0.00 0.00 55.73 54.87 2dmm s ARG 14 Cb -0.05 0.22 -0.00 0.00 -0.45 0.00 0.00 34.95 34.66 2dmm s ARG 14 CO -0.07 -0.21 0.16 1.52 -0.68 0.00 0.00 175.30 176.02 2dmm s TYR 15 N 2.11 0.13 -0.21 -0.53 1.13 -1.26 -3.92 117.35 114.81 2dmm s TYR 15 Ca -0.05 -0.43 0.01 0.00 -1.41 0.00 0.00 57.07 55.18 2dmm s TYR 15 Cb -0.10 -0.08 -0.13 0.00 -1.10 0.00 0.00 41.96 40.54 2dmm s TYR 15 CO -0.14 -0.43 -0.19 1.47 -2.51 0.00 0.00 175.55 173.76 2dmm n LEU 16 N 0.55 2.90 -4.71 -3.49 -0.00 -1.26 -5.01 117.00 105.98 2dmm n LEU 16 Ca -0.18 -0.09 -0.26 0.00 -0.00 0.00 0.00 56.01 55.48 2dmm n LEU 16 Cb 0.59 -0.71 -0.07 0.00 -0.00 0.00 0.00 43.42 43.23 2dmm n LEU 16 CO 0.23 0.82 -0.29 -0.75 -0.00 0.00 0.00 177.39 177.39 2dmm s LYS 17 N -2.41 2.57 -0.13 1.47 2.20 -1.26 -5.00 119.74 117.19 2dmm s LYS 17 Ca -0.28 -1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 54.09 2dmm s LYS 17 Cb 0.07 -2.45 0.05 0.00 -1.51 0.00 0.00 37.83 33.99 2dmm s LYS 17 CO 0.47 0.47 0.54 -1.54 -0.36 0.00 0.00 175.35 174.92 2dmm s SER 18 N -3.00 -0.53 0.42 1.43 1.04 -1.26 -2.28 113.70 109.53 2dmm s SER 18 Ca 0.29 0.81 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 2dmm s SER 18 Cb -0.10 0.81 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 2dmm s SER 18 CO 0.20 -0.36 0.66 -1.61 0.98 0.00 0.00 173.24 173.11 2dmm s GLU 19 N -0.44 3.38 0.38 4.02 0.41 -1.26 -4.92 118.70 120.27 2dmm s GLU 19 Ca -0.06 -0.21 -0.26 0.00 -0.41 0.00 0.00 54.97 54.04 2dmm s GLU 19 Cb -0.03 -2.54 -0.09 0.00 -1.78 0.00 0.00 34.13 29.69 2dmm s GLU 19 CO 0.04 -0.08 1.20 -1.25 -0.49 0.00 0.00 175.26 174.67 2dmm s PRO 20 N -4.52 4.14 0.14 0.39 0.04 -1.26 -4.48 135.00 129.45 2dmm s PRO 20 Ca 0.45 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2dmm s PRO 20 Cb -0.10 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 2dmm s PRO 20 CO 0.39 -0.27 1.15 0.42 0.04 0.00 0.00 177.00 178.73 2dmm s ILE 21 N -1.33 3.87 1.18 0.56 -1.09 -1.26 -4.97 121.20 118.14 2dmm s ILE 21 Ca 0.55 1.51 -0.18 0.00 -2.23 0.00 0.00 60.65 60.30 2dmm s ILE 21 Cb -0.33 -3.97 0.27 0.00 -1.58 0.00 0.00 42.46 36.86 2dmm s ILE 21 CO 0.42 0.21 1.11 -2.16 -1.23 0.00 0.00 174.94 173.29 2dmm s PRO 22 N 0.10 -1.00 -0.22 2.79 0.04 -1.26 -5.02 135.00 130.42 2dmm s PRO 22 Ca 0.53 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.66 2dmm s PRO 22 Cb -0.30 -1.61 -0.19 0.00 0.04 0.00 0.00 34.50 32.44 2dmm s PRO 22 CO 0.34 -3.58 -0.10 -0.85 0.04 0.00 0.00 177.00 172.84 2dmm n GLU 23 N -4.68 0.74 -3.71 4.56 0.28 -1.26 -4.98 120.64 111.59 2dmm n GLU 23 Ca 0.12 0.08 -0.11 0.00 -0.16 0.00 0.00 57.16 57.08 2dmm n GLU 23 Cb 0.59 -1.48 -0.12 0.00 1.43 0.00 0.00 31.44 31.86 2dmm n GLU 23 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dmm s SER 24 N -5.91 -0.34 -0.50 -1.84 0.15 -1.26 -5.06 113.70 98.95 2dmm s SER 24 Ca -0.23 0.71 0.04 0.00 0.70 0.00 0.00 55.95 57.17 2dmm s SER 24 Cb 0.07 0.63 0.41 0.00 -1.71 0.00 0.00 66.02 65.42 2dmm s SER 24 CO 0.64 -0.19 1.26 0.59 1.20 0.00 0.00 173.24 176.75 2dmm n ASN 25 N 4.36 5.17 -2.91 5.45 3.02 -1.26 -4.90 115.26 124.20 2dmm n ASN 25 Ca -0.23 -3.74 -0.31 0.00 -0.03 0.00 0.00 54.58 50.28 2dmm n ASN 25 Cb 0.54 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dmm n ASP 26 N -0.50 7.55 -2.05 6.41 2.03 -1.26 -4.78 116.55 123.95 2dmm n ASP 26 Ca 0.42 -2.66 -0.05 0.00 0.52 0.00 0.00 54.79 53.01 2dmm n ASP 26 Cb 0.60 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.52 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmm n GLY 27 N 2.86 3.96 0.25 0.27 0.00 -1.26 -5.06 105.19 106.21 2dmm n GLY 27 Ca 0.65 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 0.83 -5.04 1.61 0.13 -1.89 -3.42 132.00 124.22 2dmm h PRO 28 Ca -0.07 -0.43 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 2dmm h PRO 28 Cb 0.24 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.04 2dmm h PRO 28 CO 0.11 1.07 -0.85 0.08 -0.23 0.00 0.00 178.00 178.18 2dmm s VAL 29 N -4.34 2.15 0.03 1.56 1.01 -1.26 -3.74 120.40 115.81 2dmm s VAL 29 Ca -0.10 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 2dmm s VAL 29 Cb 0.11 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 2dmm s VAL 29 CO 0.87 0.49 1.46 -0.54 0.00 0.00 0.00 175.10 177.38 2dmm s LYS 30 N 1.29 4.26 -0.07 2.72 -0.14 -0.59 -4.73 119.74 122.48 2dmm s LYS 30 Ca 0.04 2.07 -0.30 0.00 -1.36 0.00 0.00 55.97 56.43 2dmm s LYS 30 Cb -0.14 -3.54 -0.03 0.00 -1.68 0.00 0.00 37.83 32.44 2dmm s LYS 30 CO -0.12 -0.60 1.24 0.08 -0.76 0.00 0.00 175.35 175.19 2dmm s VAL 31 N 2.30 4.19 -0.11 3.17 1.01 -1.26 -1.13 120.40 128.56 2dmm s VAL 31 Ca 0.66 1.51 0.02 0.00 0.00 0.00 0.00 61.98 64.18 2dmm s VAL 31 Cb -0.34 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2dmm s VAL 31 CO 0.28 -0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.50 2dmm s VAL 32 N 2.46 1.64 0.12 2.92 1.01 0.83 -4.91 120.40 124.47 2dmm s VAL 32 Ca 0.57 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.92 2dmm s VAL 32 Cb -0.25 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2dmm s VAL 32 CO 0.21 0.47 -0.25 0.68 0.00 0.00 0.00 175.10 176.21 2dmm s VAL 33 N 0.91 2.38 0.23 2.92 -7.23 -1.26 -4.05 120.40 114.30 2dmm s VAL 33 Ca -0.07 -1.67 0.09 0.00 -1.81 0.00 0.00 61.98 58.52 2dmm s VAL 33 Cb -0.15 -2.05 0.25 0.00 0.56 0.00 0.00 36.38 34.98 2dmm s VAL 33 CO -0.01 0.12 1.04 0.00 -0.31 0.00 0.00 175.10 175.94 2dmm n ALA 34 N 0.97 0.56 -0.09 1.32 0.00 -1.26 0.22 120.51 122.22 2dmm n ALA 34 Ca -0.17 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 2dmm n ALA 34 Cb 0.53 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 0.14 -0.76 0.00 5.08 -1.89 -2.80 114.58 114.34 2dmm h GLU 35 Ca 0.50 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 58.32 2dmm h GLU 35 Cb 1.25 -0.03 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 2dmm h GLU 35 CO -0.55 0.09 -0.30 0.27 -1.00 0.00 0.00 179.01 177.52 2dmm n ASN 36 N -5.13 5.36 -0.02 1.42 6.94 0.58 -4.73 115.26 119.68 2dmm n ASN 36 Ca 0.01 -3.77 -0.08 0.00 -0.02 0.00 0.00 54.58 50.72 2dmm n ASN 36 Cb 0.15 -0.54 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 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 2.00 -0.07 0.00 -2.53 3.04 -0.24 -3.01 116.94 116.13 2dmm h PHE 37 Ca 0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.36 2dmm h PHE 37 Cb 1.35 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.88 2dmm h PHE 37 CO 1.02 0.39 0.00 -0.40 -2.02 0.00 0.00 178.31 177.30 2dmm n ASP 38 N -4.77 0.15 0.06 0.41 5.68 -1.26 0.08 116.55 116.91 2dmm n ASP 38 Ca -0.06 0.55 -0.22 0.00 -0.50 0.00 0.00 54.79 54.56 2dmm n ASP 38 Cb 0.24 -0.58 -0.15 0.00 -1.14 0.00 0.00 41.12 39.49 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 0.36 0.00 0.11 4.81 -1.81 -3.32 114.58 114.72 2dmm h GLU 39 Ca 0.00 -0.61 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 2dmm h GLU 39 Cb 0.19 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2dmm h GLU 39 CO 0.00 1.29 -1.05 -0.89 -0.73 0.00 0.00 179.01 177.63 2dmm n ILE 40 N -3.85 1.50 0.05 2.32 5.41 -1.00 -4.69 119.36 119.09 2dmm n ILE 40 Ca -0.21 0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.53 2dmm n ILE 40 Cb 0.97 -2.33 -0.08 0.00 -0.71 0.00 0.00 39.64 37.49 2dmm n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dmm h VAL 41 N -1.00 0.00 -2.57 1.39 2.07 -0.58 -3.38 116.25 112.18 2dmm h VAL 41 Ca -0.04 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.92 2dmm h VAL 41 Cb 1.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2dmm h VAL 41 CO -0.02 0.00 1.19 0.20 0.02 0.00 0.00 177.57 178.96 2dmm s ASN 42 N -4.29 6.30 -0.30 0.57 0.01 -1.17 -4.82 114.94 111.24 2dmm s ASN 42 Ca -0.13 1.91 -0.14 0.00 -0.71 0.00 0.00 52.86 53.80 2dmm s ASN 42 Cb 0.05 -2.53 0.18 0.00 0.41 0.00 0.00 41.25 39.36 2dmm s ASN 42 CO 0.49 -1.28 1.06 0.21 -1.51 0.00 0.00 177.10 176.07 2dmm s ASN 43 N 4.71 -0.43 0.00 -1.22 2.47 -1.26 -4.62 114.94 114.60 2dmm s ASN 43 Ca 0.78 0.28 0.28 0.00 0.42 0.00 0.00 52.86 54.63 2dmm s ASN 43 Cb -0.30 1.37 1.03 0.00 -1.45 0.00 0.00 41.25 41.90 2dmm s ASN 43 CO 0.32 -0.08 1.74 -1.84 -3.72 0.00 0.00 177.10 173.51 2dmm n GLU 44 N 5.45 0.81 -0.03 0.43 0.28 -1.26 -3.98 120.64 122.34 2dmm n GLU 44 Ca -0.07 -0.38 -0.14 0.00 -0.16 0.00 0.00 57.16 56.41 2dmm n GLU 44 Cb 0.54 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.81 2dmm n GLU 44 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dmm h ASN 45 N 0.92 0.15 -4.52 -1.84 2.35 -1.95 -3.33 115.58 107.36 2dmm h ASN 45 Ca 0.00 -0.69 -0.31 0.00 -0.55 0.00 0.00 56.30 54.75 2dmm h ASN 45 Cb 0.42 -0.04 -0.19 0.00 0.05 0.00 0.00 38.32 38.56 2dmm h ASN 45 CO 0.00 0.81 -0.73 -1.59 -1.65 0.00 0.00 177.43 174.27 2dmm s LYS 46 N -3.46 0.76 0.38 0.81 0.00 -1.26 -5.05 119.74 111.93 2dmm s LYS 46 Ca -0.16 -1.05 -0.27 0.00 0.00 0.00 0.00 55.97 54.49 2dmm s LYS 46 Cb 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 37.83 37.29 2dmm s LYS 46 CO 0.72 0.07 1.26 -0.51 0.00 0.00 0.00 175.35 176.89 2dmm s ASP 47 N -2.21 6.52 0.01 0.03 1.01 -1.04 -4.78 116.67 116.21 2dmm s ASP 47 Ca 0.01 2.56 0.01 0.00 0.71 0.00 0.00 52.55 55.85 2dmm s ASP 47 Cb -0.05 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 2dmm s ASP 47 CO -0.00 -0.70 -0.04 -0.69 0.21 0.00 0.00 175.17 173.95 2dmm s VAL 48 N -1.27 0.30 -0.16 -1.27 1.01 -0.88 -2.42 120.40 115.71 2dmm s VAL 48 Ca 0.54 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2dmm s VAL 48 Cb -0.36 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2dmm s VAL 48 CO 0.47 -0.12 -0.19 -0.22 0.00 0.00 0.00 175.10 175.04 2dmm s LEU 49 N -0.63 2.00 -0.12 3.92 2.96 -1.08 0.33 118.68 126.06 2dmm s LEU 49 Ca -0.04 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2dmm s LEU 49 Cb -0.05 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 2dmm s LEU 49 CO -0.00 0.00 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.47 2dmm s ILE 50 N 1.22 3.79 -0.17 6.68 1.10 0.89 -1.48 121.20 133.24 2dmm s ILE 50 Ca 0.02 -0.41 0.01 0.00 -0.51 0.00 0.00 60.65 59.75 2dmm s ILE 50 Cb -0.14 -2.62 0.03 0.00 0.15 0.00 0.00 42.46 39.88 2dmm s ILE 50 CO -0.10 0.53 -0.13 -0.70 -2.11 0.00 0.00 174.94 172.43 2dmm s GLU 51 N -0.05 2.27 -0.35 3.50 -6.30 -1.17 0.07 118.70 116.68 2dmm s GLU 51 Ca 0.01 -0.68 -0.17 0.00 -2.50 0.00 0.00 54.97 51.63 2dmm s GLU 51 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 34.13 31.74 2dmm s GLU 51 CO 0.03 -0.30 0.46 -0.06 0.02 0.00 0.00 175.26 175.41 2dmm s PHE 52 N 1.44 3.19 0.49 5.30 0.08 0.16 -2.00 117.98 126.63 2dmm s PHE 52 Ca 0.03 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.17 2dmm s PHE 52 Cb -0.14 -2.83 -0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2dmm s PHE 52 CO -0.10 -0.50 0.00 2.48 -0.10 0.00 0.00 175.22 177.00 2dmm n TYR 53 N 5.61 1.11 -4.05 0.36 0.18 -1.16 -1.78 117.16 117.43 2dmm n TYR 53 Ca -0.06 -2.40 -0.17 0.00 1.88 0.00 0.00 57.90 57.15 2dmm n TYR 53 Cb 0.49 -0.31 -0.15 0.00 -0.38 0.00 0.00 39.34 38.98 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 -2.84 0.39 -0.88 -3.48 0.00 -1.26 -3.77 121.76 109.92 2dmm s ALA 54 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 51.96 52.10 2dmm s ALA 54 Cb 0.00 -0.23 0.69 0.00 0.00 0.00 0.00 23.12 23.58 2dmm s ALA 54 CO 0.00 0.01 1.51 -0.35 0.00 0.00 0.00 175.76 176.94 2dmm n PRO 55 N 3.59 0.04 -0.10 0.00 -0.04 -1.26 -2.07 135.00 135.16 2dmm n PRO 55 Ca -0.20 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2dmm n PRO 55 Cb 0.54 -1.58 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.67 0.27 -3.69 0.54 4.27 -1.26 -4.94 117.44 110.97 2dmm n TRP 56 Ca 0.03 -0.46 -0.39 0.00 -3.89 0.00 0.00 57.50 52.79 2dmm n TRP 56 Cb 0.18 -0.03 -0.12 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 8.32 -0.24 -0.36 0.00 0.00 -1.92 -1.68 103.07 107.19 2dmm h GLY 58 Ca -0.29 0.21 0.29 0.00 0.00 0.00 0.00 47.33 47.54 2dmm h GLY 58 CO 0.62 -0.17 0.62 0.45 0.00 0.00 0.00 176.54 178.06 2dmm h HIS 59 N -0.29 0.89 -0.31 5.60 3.86 -1.95 0.38 115.15 123.33 2dmm h HIS 59 Ca 0.05 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.12 2dmm h HIS 59 Cb 0.36 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 2dmm h HIS 59 CO -0.23 -0.05 -0.51 0.00 0.86 0.00 0.00 177.93 178.00 2dmm h LYS 61 N 0.69 1.05 0.00 0.00 1.79 0.58 0.21 116.57 120.89 2dmm h LYS 61 Ca 0.02 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2dmm h LYS 61 Cb 1.12 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2dmm h LYS 61 CO 0.12 0.69 -0.36 -0.97 -1.08 0.00 0.00 179.45 177.85 2dmm h ASN 62 N 1.08 0.00 1.42 0.86 -1.24 -1.31 -2.96 115.58 113.43 2dmm h ASN 62 Ca 0.43 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.36 2dmm h ASN 62 Cb 0.22 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2dmm h ASN 62 CO -0.19 0.36 -0.60 0.25 -1.29 0.00 0.00 177.43 175.96 2dmm h LEU 63 N 0.00 0.00 -0.77 0.34 5.85 -0.77 -3.34 115.31 116.62 2dmm h LEU 63 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2dmm h LEU 63 Cb 0.94 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.85 2dmm h LEU 63 CO 0.05 0.31 -0.50 -0.08 -0.34 0.00 0.00 178.44 177.88 2dmm h GLU 64 N 0.00 -0.13 -0.23 1.25 4.81 -0.49 0.54 114.58 120.32 2dmm h GLU 64 Ca -0.03 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 2dmm h GLU 64 Cb 1.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2dmm h GLU 64 CO 0.04 -0.09 -0.43 -1.00 -0.73 0.00 0.00 179.01 176.80 2dmm h PRO 65 N -0.14 0.57 0.00 0.92 0.13 -1.75 0.13 132.00 131.87 2dmm h PRO 65 Ca 0.19 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2dmm h PRO 65 Cb 0.52 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2dmm h PRO 65 CO -0.82 0.89 -0.19 0.87 -0.23 0.00 0.00 178.00 178.53 2dmm h LYS 66 N 0.47 0.00 0.06 0.86 1.57 -1.17 -2.93 116.57 115.43 2dmm h LYS 66 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.47 2dmm h LYS 66 Cb 0.94 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2dmm h LYS 66 CO 0.08 0.19 -1.97 0.98 -0.57 0.00 0.00 179.45 178.17 2dmm n TYR 67 N -4.07 0.83 -0.20 -1.35 9.36 0.17 -3.96 117.16 117.95 2dmm n TYR 67 Ca -0.02 0.23 -0.11 0.00 3.32 0.00 0.00 57.90 61.32 2dmm n TYR 67 Cb 0.27 -1.10 -0.07 0.00 -0.63 0.00 0.00 39.34 37.81 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 -0.33 -0.27 -0.94 2.98 3.64 -0.68 0.66 116.57 121.63 2dmm h LYS 68 Ca -0.47 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.18 2dmm h LYS 68 Cb 1.78 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 33.49 2dmm h LYS 68 CO -0.08 -0.18 0.02 0.93 -2.27 0.00 0.00 179.45 177.87 2dmm h GLU 69 N -0.28 0.03 -0.89 1.90 5.08 -1.73 1.16 114.58 119.85 2dmm h GLU 69 Ca 0.13 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.65 2dmm h GLU 69 Cb 0.56 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2dmm h GLU 69 CO -0.68 0.02 0.58 1.25 -1.00 0.00 0.00 179.01 179.18 2dmm h LEU 70 N 0.04 0.58 0.54 1.33 5.85 -1.06 0.54 115.31 123.12 2dmm h LEU 70 Ca 0.56 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.30 2dmm h LEU 70 Cb 1.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2dmm h LEU 70 CO -0.87 0.27 -0.36 1.23 -0.34 0.00 0.00 178.44 178.37 2dmm h GLY 71 N 0.60 -0.94 2.00 3.75 0.00 0.16 0.34 103.07 108.97 2dmm h GLY 71 Ca 0.46 0.40 -0.07 0.00 0.00 0.00 0.00 47.33 48.12 2dmm h GLY 71 CO -0.20 -0.34 -0.33 1.05 0.00 0.00 0.00 176.54 176.72 2dmm h GLU 72 N -0.87 0.00 -0.19 4.80 4.11 -1.37 -2.92 114.58 118.15 2dmm h GLU 72 Ca -0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.21 2dmm h GLU 72 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dmm h GLU 72 CO 0.05 0.33 -0.50 0.87 0.07 0.00 0.00 179.01 179.82 2dmm h LYS 73 N 0.00 0.67 -0.04 1.06 1.79 0.32 -2.97 116.57 117.40 2dmm h LYS 73 Ca -0.00 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2dmm h LYS 73 Cb 1.01 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2dmm h LYS 73 CO 0.04 1.09 0.00 1.28 -1.08 0.00 0.00 179.45 180.78 2dmm n LEU 74 N -4.16 0.54 -0.35 2.94 4.77 0.12 -3.99 117.00 116.87 2dmm n LEU 74 Ca -0.06 -0.22 0.10 0.00 -0.03 0.00 0.00 56.01 55.80 2dmm n LEU 74 Cb 0.60 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.95 2dmm n LEU 74 CO 0.48 0.11 1.22 0.77 -1.33 0.00 0.00 177.39 178.63 2dmm h SER 75 N 0.75 0.84 0.00 -1.43 4.64 -1.34 0.39 113.55 117.40 2dmm h SER 75 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2dmm h SER 75 Cb 0.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2dmm h SER 75 CO 0.00 0.38 0.06 1.17 -0.87 0.00 0.00 176.83 177.58 2dmm n LYS 76 N -4.67 0.05 -3.30 4.77 4.81 -1.26 -4.10 118.16 114.46 2dmm n LYS 76 Ca 0.21 0.52 -0.46 0.00 -0.87 0.00 0.00 58.31 57.70 2dmm n LYS 76 Cb 0.46 -1.73 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 2dmm n LYS 76 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dmm s ASP 77 N -3.29 6.21 0.00 3.14 -1.08 0.14 -4.90 116.67 116.89 2dmm s ASP 77 Ca -0.01 -1.81 0.15 0.00 -0.52 0.00 0.00 52.55 50.37 2dmm s ASP 77 Cb 0.02 -2.21 0.92 0.00 -1.46 0.00 0.00 42.92 40.19 2dmm s ASP 77 CO 0.07 -0.86 1.34 -0.81 0.52 0.00 0.00 175.17 175.43 2dmm n PRO 78 N 5.25 0.49 -0.06 4.34 -0.04 -1.26 -2.67 135.00 141.05 2dmm n PRO 78 Ca -0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 2dmm n PRO 78 Cb 0.40 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.99 2.78 -4.46 3.54 3.02 -1.26 -4.90 115.26 112.98 2dmm n ASN 79 Ca 0.12 -0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 2dmm n ASN 79 Cb 0.05 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.25 4.61 -0.38 2.41 1.01 -1.09 -2.49 121.20 123.01 2dmm s ILE 80 Ca -0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2dmm s ILE 80 Cb 0.04 -4.46 0.03 0.00 0.01 0.00 0.00 42.46 38.07 2dmm s ILE 80 CO 0.35 -1.05 0.23 -0.69 0.00 0.00 0.00 174.94 173.77 2dmm s VAL 81 N 3.32 4.72 -0.09 2.92 1.01 -1.02 -4.77 120.40 126.50 2dmm s VAL 81 Ca 0.21 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2dmm s VAL 81 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2dmm s VAL 81 CO 0.13 -0.26 0.88 -0.63 0.00 0.00 0.00 175.10 175.22 2dmm s ILE 82 N 1.58 4.90 0.21 2.22 -1.09 -1.26 -2.63 121.20 125.12 2dmm s ILE 82 Ca 0.03 1.78 0.02 0.00 -2.23 0.00 0.00 60.65 60.25 2dmm s ILE 82 Cb -0.19 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 2dmm s ILE 82 CO 0.07 0.11 0.03 0.00 -1.23 0.00 0.00 174.94 173.93 2dmm s ALA 83 N 1.50 1.51 0.05 9.38 0.00 -0.55 -1.55 121.76 132.11 2dmm s ALA 83 Ca 0.44 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2dmm s ALA 83 Cb -0.18 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2dmm s ALA 83 CO 0.19 -0.36 -0.05 -1.59 0.00 0.00 0.00 175.76 173.95 2dmm s LYS 84 N -3.95 0.53 -0.15 0.00 -2.85 -0.29 -3.04 119.74 109.99 2dmm s LYS 84 Ca 0.29 -0.92 -0.12 0.00 -1.00 0.00 0.00 55.97 54.23 2dmm s LYS 84 Cb 0.07 -0.03 0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2dmm s LYS 84 CO 0.08 -0.03 0.37 1.41 0.10 0.00 0.00 175.35 177.28 2dmm s MET 85 N -2.47 0.41 -0.76 1.78 1.75 -0.85 -0.12 119.30 119.05 2dmm s MET 85 Ca -0.04 0.59 -0.19 0.00 -1.25 0.00 0.00 55.69 54.80 2dmm s MET 85 Cb -0.03 0.13 0.13 0.00 2.84 0.00 0.00 34.83 37.90 2dmm s MET 85 CO -0.03 -0.09 0.90 0.34 -0.65 0.00 0.00 175.02 175.49 2dmm s ASP 86 N 0.57 6.43 0.06 1.11 2.15 -1.26 -2.98 116.67 122.74 2dmm s ASP 86 Ca -0.03 -1.78 -0.17 0.00 0.43 0.00 0.00 52.55 51.00 2dmm s ASP 86 Cb -0.05 -2.34 -0.07 0.00 -0.30 0.00 0.00 42.92 40.16 2dmm s ASP 86 CO -0.03 -1.06 1.28 0.00 -0.17 0.00 0.00 175.17 175.18 2dmm h ALA 87 N 8.90 -0.74 -1.23 3.66 0.00 -1.70 0.98 119.26 129.14 2dmm h ALA 87 Ca -0.07 -0.05 0.36 0.00 0.00 0.00 0.00 54.91 55.15 2dmm h ALA 87 Cb 1.06 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 2dmm h ALA 87 CO 1.06 -0.82 1.19 0.00 0.00 0.00 0.00 179.25 180.68 2dmm h THR 88 N -0.35 0.05 0.00 0.00 1.03 -1.92 2.02 112.91 113.74 2dmm h THR 88 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.18 2dmm h THR 88 Cb 0.37 0.08 -0.04 0.00 -1.07 0.00 0.00 68.15 67.49 2dmm h THR 88 CO -0.17 0.00 -1.99 0.00 -0.01 0.00 0.00 175.52 173.35 2dmm n ALA 89 N -2.45 1.92 -3.58 0.00 0.00 0.12 -4.85 120.51 111.67 2dmm n ALA 89 Ca 0.27 -0.89 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 2dmm n ALA 89 Cb 1.56 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 20.29 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 -5.38 2.19 0.17 0.00 2.20 0.68 -4.13 114.94 110.67 2dmm s ASN 90 Ca -0.07 -0.57 -0.32 0.00 -0.94 0.00 0.00 52.86 50.97 2dmm s ASN 90 Cb 0.09 -0.11 -0.17 0.00 -2.00 0.00 0.00 41.25 39.06 2dmm s ASN 90 CO 0.84 -0.35 0.89 -0.67 -2.94 0.00 0.00 177.10 174.88 2dmm n ASP 91 N 5.29 0.18 -4.76 3.54 2.03 -0.97 -4.02 116.55 117.84 2dmm n ASP 91 Ca -0.07 1.15 -0.39 0.00 0.52 0.00 0.00 54.79 56.00 2dmm n ASP 91 Cb 0.49 -1.08 -0.06 0.00 -0.72 0.00 0.00 41.12 39.75 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 -0.59 4.68 0.00 5.18 1.01 -1.26 -4.67 120.40 124.75 2dmm s VAL 92 Ca 0.71 1.51 0.00 0.00 0.00 0.00 0.00 61.98 64.19 2dmm s VAL 92 Cb -0.93 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 31.40 2dmm s VAL 92 CO 0.56 0.44 0.00 -0.81 0.00 0.00 0.00 175.10 175.28 2dmm n PRO 93 N 2.36 -0.57 -4.46 2.72 -0.04 -1.25 -4.73 135.00 129.03 2dmm n PRO 93 Ca -0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 2dmm n PRO 93 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 3.35 0.00 3.54 0.01 -1.26 -3.11 113.70 114.72 2dmm s SER 94 Ca 0.00 -1.07 0.14 0.00 1.31 0.00 0.00 55.95 56.33 2dmm s SER 94 Cb 0.00 -0.27 0.63 0.00 0.21 0.00 0.00 66.02 66.59 2dmm s SER 94 CO 0.00 -0.08 1.44 -0.81 0.41 0.00 0.00 173.24 174.21 2dmm n PRO 95 N -0.60 0.04 -1.11 12.44 -0.04 -1.26 -3.93 135.00 140.53 2dmm n PRO 95 Ca -0.06 0.24 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 2dmm n PRO 95 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.46 0.73 -4.22 0.54 4.02 -1.18 -4.93 117.16 110.66 2dmm n TYR 96 Ca 0.04 0.76 -0.22 0.00 -0.01 0.00 0.00 57.90 58.48 2dmm n TYR 96 Cb 0.16 -1.50 -0.17 0.00 -0.02 0.00 0.00 39.34 37.82 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2dmm s GLU 97 N 0.75 1.06 -0.39 -0.72 -1.05 -1.26 -4.55 118.70 112.55 2dmm s GLU 97 Ca 0.67 -0.17 0.02 0.00 -0.15 0.00 0.00 54.97 55.34 2dmm s GLU 97 Cb -0.95 -1.03 0.12 0.00 -0.44 0.00 0.00 34.13 31.83 2dmm s GLU 97 CO 0.46 -0.08 0.16 0.08 0.95 0.00 0.00 175.26 176.83 2dmm s VAL 98 N 0.99 1.54 -0.24 1.83 1.01 -1.26 -4.94 120.40 119.32 2dmm s VAL 98 Ca -0.10 -2.26 0.11 0.00 0.00 0.00 0.00 61.98 59.73 2dmm s VAL 98 Cb -0.14 -2.11 0.46 0.00 0.00 0.00 0.00 36.38 34.59 2dmm s VAL 98 CO 0.00 -0.77 1.34 0.54 0.00 0.00 0.00 175.10 176.22 2dmm n ARG 99 N 4.01 1.75 0.00 2.72 5.12 -1.26 -4.94 116.66 124.05 2dmm n ARG 99 Ca 0.04 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.77 2dmm n ARG 99 Cb 0.38 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2dmm n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dmm n GLY 100 N -1.12 0.29 3.93 -0.13 0.00 -1.26 -5.17 105.19 101.73 2dmm n GLY 100 Ca 0.26 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.69 2dmm n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 101 N 0.00 3.49 0.69 1.61 0.40 -1.26 -3.98 117.98 118.93 2dmm s PHE 101 Ca 0.00 0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 56.47 2dmm s PHE 101 Cb 0.00 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.75 2dmm s PHE 101 CO 0.00 0.45 1.10 -1.25 0.70 0.00 0.00 175.22 176.23 2dmm s PRO 102 N -3.13 2.64 -0.05 0.24 0.04 -1.26 -5.01 135.00 128.47 2dmm s PRO 102 Ca 0.37 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2dmm s PRO 102 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2dmm s PRO 102 CO 0.28 -1.37 -0.03 0.99 0.04 0.00 0.00 177.00 176.92 2dmm s THR 103 N -2.51 0.46 -0.04 1.26 2.01 -0.73 -5.07 115.64 111.03 2dmm s THR 103 Ca 0.65 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.65 2dmm s THR 103 Cb -0.19 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2dmm s THR 103 CO 0.46 0.22 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.77 2dmm s ILE 104 N 1.09 1.71 0.01 1.82 1.01 -1.26 0.35 121.20 125.93 2dmm s ILE 104 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2dmm s ILE 104 Cb -0.14 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2dmm s ILE 104 CO -0.01 0.48 -0.06 -0.31 0.00 0.00 0.00 174.94 175.04 2dmm s TYR 105 N -0.18 0.50 -0.10 3.97 2.02 0.11 -2.62 117.35 121.05 2dmm s TYR 105 Ca -0.00 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2dmm s TYR 105 Cb -0.11 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2dmm s TYR 105 CO 0.02 -0.05 -0.23 0.12 -1.57 0.00 0.00 175.55 173.84 2dmm s PHE 106 N -0.66 2.58 -0.53 2.71 5.36 0.10 -0.07 117.98 127.47 2dmm s PHE 106 Ca -0.04 -1.05 -0.16 0.00 -0.96 0.00 0.00 56.93 54.73 2dmm s PHE 106 Cb -0.05 -1.72 0.12 0.00 -0.34 0.00 0.00 43.02 41.02 2dmm s PHE 106 CO 0.00 -0.42 0.48 -1.12 -1.46 0.00 0.00 175.22 172.70 2dmm s SER 107 N 0.37 6.18 0.97 6.13 0.01 0.15 -1.39 113.70 126.12 2dmm s SER 107 Ca -0.18 -1.69 -0.12 0.00 1.31 0.00 0.00 55.95 55.27 2dmm s SER 107 Cb -0.18 -2.21 0.17 0.00 0.21 0.00 0.00 66.02 64.02 2dmm s SER 107 CO 0.08 -0.82 1.09 -2.16 0.41 0.00 0.00 173.24 171.85 2dmm s PRO 108 N 1.62 0.67 0.09 12.44 0.04 -1.26 -2.08 135.00 146.52 2dmm s PRO 108 Ca 0.03 0.61 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 2dmm s PRO 108 Cb -0.29 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2dmm s PRO 108 CO 0.04 -2.59 0.74 0.00 0.04 0.00 0.00 177.00 175.23 2dmm s ALA 109 N -2.95 3.43 -1.20 8.56 0.00 -1.26 -3.75 121.76 124.59 2dmm s ALA 109 Ca 0.65 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2dmm s ALA 109 Cb -0.18 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2dmm s ALA 109 CO 0.57 0.19 0.00 0.27 0.00 0.00 0.00 175.76 176.80 2dmm n ASN 110 N 2.22 -3.61 -2.18 0.00 0.23 -1.25 -4.79 115.26 105.88 2dmm n ASN 110 Ca -0.05 0.25 -0.10 0.00 -0.53 0.00 0.00 54.58 54.15 2dmm n ASN 110 Cb 0.50 -3.22 0.05 0.00 -2.08 0.00 0.00 39.78 35.02 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 -2.31 2.44 0.41 -3.83 5.02 -1.25 -4.88 118.16 113.77 2dmm n LYS 111 Ca -0.14 -3.68 -0.17 0.00 -2.02 0.00 0.00 58.31 52.30 2dmm n LYS 111 Cb 0.51 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.64 2dmm n LYS 111 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dmm h LYS 112 N 2.16 -1.03 -1.01 1.97 1.79 -1.87 -2.91 116.57 115.68 2dmm h LYS 112 Ca 0.09 0.07 0.36 0.00 -2.18 0.00 0.00 60.65 59.00 2dmm h LYS 112 Cb 1.42 0.23 -0.11 0.00 -1.58 0.00 0.00 32.23 32.18 2dmm h LYS 112 CO 0.42 -0.67 0.64 1.28 -1.08 0.00 0.00 179.45 180.03 2dmm n LEU 113 N -5.50 0.18 -3.65 2.94 4.32 -1.26 -2.88 117.00 111.16 2dmm n LEU 113 Ca -0.14 1.12 -0.29 0.00 -0.02 0.00 0.00 56.01 56.68 2dmm n LEU 113 Cb 0.43 -0.55 -0.14 0.00 -1.62 0.00 0.00 43.42 41.54 2dmm n LEU 113 CO 0.34 -1.22 -0.31 0.21 -1.22 0.00 0.00 177.39 175.18 2dmm s ASN 114 N -4.40 3.71 1.22 -1.43 3.84 -1.10 -4.98 114.94 111.80 2dmm s ASN 114 Ca -0.06 -1.81 -0.18 0.00 0.21 0.00 0.00 52.86 51.02 2dmm s ASN 114 Cb 0.24 -0.71 0.26 0.00 -0.55 0.00 0.00 41.25 40.49 2dmm s ASN 114 CO 0.63 -0.38 0.94 -0.81 -2.79 0.00 0.00 177.10 174.69 2dmm n PRO 115 N 4.60 -2.87 -4.37 0.43 -0.04 -1.14 -4.84 135.00 126.77 2dmm n PRO 115 Ca 0.01 -1.50 -0.23 0.00 -0.04 0.00 0.00 63.50 61.74 2dmm n PRO 115 Cb 0.40 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2dmm n PRO 115 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2dmm s LYS 116 N -5.13 1.11 -0.14 0.54 2.47 -0.48 -4.99 119.74 113.11 2dmm s LYS 116 Ca 0.61 -1.00 0.02 0.00 -1.56 0.00 0.00 55.97 54.03 2dmm s LYS 116 Cb -0.06 -1.25 0.00 0.00 -1.46 0.00 0.00 37.83 35.06 2dmm s LYS 116 CO 0.47 0.30 -0.19 0.21 0.16 0.00 0.00 175.35 176.30 2dmm s LYS 117 N -1.57 3.11 -0.18 4.03 2.20 -1.26 0.02 119.74 126.09 2dmm s LYS 117 Ca 0.04 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 2dmm s LYS 117 Cb -0.09 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2dmm s LYS 117 CO 0.03 0.03 1.69 -0.47 -0.36 0.00 0.00 175.35 176.27 2dmm s TYR 118 N 0.74 1.95 -0.31 4.03 5.04 -1.08 -4.89 117.35 122.84 2dmm s TYR 118 Ca -0.08 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 2dmm s TYR 118 Cb -0.16 -3.98 0.09 0.00 0.35 0.00 0.00 41.96 38.26 2dmm s TYR 118 CO 0.00 -3.34 0.02 -1.21 -1.34 0.00 0.00 175.55 169.68 2dmm s GLU 119 N 4.70 1.43 0.00 4.97 2.02 -1.26 -4.72 118.70 125.83 2dmm s GLU 119 Ca 0.75 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2dmm s GLU 119 Cb -0.28 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2dmm s GLU 119 CO 0.30 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2dmm n GLY 120 N 4.47 -0.72 3.80 -1.39 0.00 -1.26 -5.14 105.19 104.95 2dmm n GLY 120 Ca -0.02 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 2.63 0.00 -0.02 0.00 -1.26 -4.96 107.32 103.71 2dmm s GLY 121 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 2dmm s GLY 121 CO 0.00 0.47 2.78 0.54 0.00 0.00 0.00 173.10 176.89 2dmm n ARG 122 N 1.95 1.48 -3.82 2.90 3.00 -1.26 -4.55 116.66 116.36 2dmm n ARG 122 Ca -0.10 -0.53 -0.35 0.00 -0.01 0.00 0.00 57.85 56.85 2dmm n ARG 122 Cb 0.51 -1.56 -0.09 0.00 0.00 0.00 0.00 32.46 31.32 2dmm n ARG 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2dmm s GLU 123 N 0.66 4.06 0.15 5.56 2.12 -1.26 -4.90 118.70 125.09 2dmm s GLU 123 Ca 0.36 -0.29 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 2dmm s GLU 123 Cb 0.17 -3.37 0.10 0.00 0.26 0.00 0.00 34.13 31.29 2dmm s GLU 123 CO 0.00 0.21 1.09 -0.11 -0.54 0.00 0.00 175.26 175.92 2dmm n LEU 124 N 3.77 -0.56 -0.14 2.70 -0.00 -1.25 0.15 117.00 121.67 2dmm n LEU 124 Ca -0.16 1.24 -0.07 0.00 -0.00 0.00 0.00 56.01 57.02 2dmm n LEU 124 Cb 0.52 -0.24 0.02 0.00 -0.00 0.00 0.00 43.42 43.71 2dmm n LEU 124 CO 0.36 -1.08 1.04 0.28 -0.00 0.00 0.00 177.39 177.98 2dmm h SER 125 N 0.00 0.44 -1.00 1.96 0.02 -1.94 -2.16 113.55 110.86 2dmm h SER 125 Ca 0.20 -0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.38 2dmm h SER 125 Cb 0.38 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.70 2dmm h SER 125 CO -0.69 0.31 0.60 -0.78 -1.14 0.00 0.00 176.83 175.14 2dmm h ASP 126 N 0.54 0.71 -0.46 3.07 1.82 0.11 0.14 116.42 122.34 2dmm h ASP 126 Ca 0.17 0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 56.83 2dmm h ASP 126 Cb -0.01 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2dmm h ASP 126 CO -0.07 0.16 -0.11 -0.26 -1.61 0.00 0.00 179.24 177.35 2dmm h PHE 127 N 0.64 1.00 0.41 0.28 0.04 -0.59 -0.25 116.94 118.47 2dmm h PHE 127 Ca 0.63 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 2dmm h PHE 127 Cb 1.13 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.04 2dmm h PHE 127 CO -0.01 0.98 -0.20 0.82 -0.60 0.00 0.00 178.31 179.31 2dmm h ILE 128 N 0.74 0.00 -0.68 -0.55 2.04 -0.47 -2.26 117.51 116.33 2dmm h ILE 128 Ca 0.12 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2dmm h ILE 128 Cb 0.66 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2dmm h ILE 128 CO 0.05 0.00 0.45 0.28 0.00 0.00 0.00 178.15 178.93 2dmm h SER 129 N -0.61 0.48 -0.51 1.72 0.02 -1.30 0.23 113.55 113.58 2dmm h SER 129 Ca -0.06 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2dmm h SER 129 Cb 0.43 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2dmm h SER 129 CO 0.09 0.29 0.26 0.22 -1.14 0.00 0.00 176.83 176.55 2dmm h TYR 130 N 0.53 0.47 0.13 3.45 5.03 -0.96 -2.75 116.97 122.88 2dmm h TYR 130 Ca 0.31 0.02 -0.29 0.00 2.58 0.00 0.00 58.73 61.36 2dmm h TYR 130 Cb 0.51 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2dmm h TYR 130 CO -0.00 0.23 -1.32 -0.07 -1.32 0.00 0.00 178.16 175.68 2dmm h LEU 131 N 0.50 0.45 -0.93 2.82 3.38 -0.68 -2.75 115.31 118.10 2dmm h LEU 131 Ca 0.22 -0.50 0.35 0.00 0.09 0.00 0.00 57.88 58.04 2dmm h LEU 131 Cb 0.13 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 40.57 2dmm h LEU 131 CO -0.16 1.40 0.37 0.00 0.09 0.00 0.00 178.44 180.14 2dmm n GLN 132 N -3.53 -0.06 -0.10 1.13 6.02 0.71 0.22 117.38 121.78 2dmm n GLN 132 Ca -0.11 1.31 -0.12 0.00 -0.01 0.00 0.00 57.00 58.07 2dmm n GLN 132 Cb 1.03 -2.28 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 2dmm n GLN 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dmm n ARG 133 N -5.17 0.53 -0.24 -1.09 5.12 -1.20 -4.43 116.66 110.18 2dmm n ARG 133 Ca 0.31 0.28 -0.08 0.00 -1.93 0.00 0.00 57.85 56.43 2dmm n ARG 133 Cb 1.06 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.00 -0.19 -5.69 5.56 4.39 -1.16 -3.38 114.58 113.11 2dmm h GLU 134 Ca -0.13 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.98 2dmm h GLU 134 Cb 1.04 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 2dmm h GLU 134 CO -0.08 -0.12 1.53 0.00 -1.16 0.00 0.00 179.01 179.18 2dmm n ALA 135 N -3.19 0.75 -0.35 3.43 0.00 0.13 -4.79 120.51 116.50 2dmm n ALA 135 Ca 0.02 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.27 2dmm n ALA 135 Cb 0.35 -2.56 0.14 0.00 0.00 0.00 0.00 19.45 17.37 2dmm n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmm h THR 136 N 7.41 0.02 -0.88 0.00 1.03 -1.86 0.24 112.91 118.86 2dmm h THR 136 Ca -0.20 -0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 65.61 2dmm h THR 136 Cb 1.32 0.02 -0.38 0.00 -1.07 0.00 0.00 68.15 68.04 2dmm h THR 136 CO 1.14 0.00 -0.23 -1.20 -0.01 0.00 0.00 175.52 175.22 2dmm n SER 137 N -5.62 5.88 -2.98 0.00 7.64 -1.26 -5.04 113.62 112.24 2dmm n SER 137 Ca 0.16 -3.76 -0.12 0.00 1.01 0.00 0.00 58.87 56.16 2dmm n SER 137 Cb 0.49 -0.57 0.10 0.00 -1.01 0.00 0.00 64.21 63.23 2dmm n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmm n GLY 138 N -0.77 -3.05 3.77 0.23 0.00 0.83 -4.93 105.19 101.26 2dmm n GLY 138 Ca 0.50 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.90 3.57 -0.30 1.61 0.04 -1.26 -5.04 135.00 129.72 2dmm s PRO 139 Ca 0.27 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 2dmm s PRO 139 Cb -0.03 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.47 2dmm s PRO 139 CO 0.21 -0.69 1.10 -1.54 0.04 0.00 0.00 177.00 176.12 2dmm s SER 140 N -1.55 -0.38 -1.05 6.66 1.04 -1.26 -4.89 113.70 112.27 2dmm s SER 140 Ca 0.68 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 57.32 2dmm s SER 140 Cb -0.26 1.36 0.22 0.00 0.10 0.00 0.00 66.02 67.43 2dmm s SER 140 CO 0.31 -0.07 1.12 -0.44 0.98 0.00 0.00 173.24 175.14 2dmm s SER 141 N 2.69 7.04 0.00 7.02 0.01 -1.26 -5.29 113.70 123.92 2dmm s SER 141 Ca -0.02 -3.03 0.00 0.00 1.31 0.00 0.00 55.95 54.21 2dmm s SER 141 Cb -0.08 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2dmm s SER 141 CO -0.13 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.56