#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 5.51 -4.84 1.61 7.64 -1.26 -4.91 113.62 117.38 2dmm n SER 2 Ca 0.00 -2.58 -0.34 0.00 1.01 0.00 0.00 58.87 56.97 2dmm n SER 2 Cb 0.00 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 2dmm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmm s SER 3 N 1.67 6.86 -0.30 6.43 0.15 -1.26 -5.06 113.70 122.19 2dmm s SER 3 Ca 0.39 1.32 -0.10 0.00 0.70 0.00 0.00 55.95 58.26 2dmm s SER 3 Cb 0.20 -2.39 0.18 0.00 -1.71 0.00 0.00 66.02 62.31 2dmm s SER 3 CO -0.02 -0.14 0.97 -0.83 1.20 0.00 0.00 173.24 174.42 2dmm s GLY 4 N -2.09 -0.60 -0.54 9.45 0.00 -1.26 -5.12 107.32 107.17 2dmm s GLY 4 Ca 0.51 2.43 -0.28 0.00 0.00 0.00 0.00 44.72 47.38 2dmm s GLY 4 CO 0.18 3.82 1.13 -0.45 0.00 0.00 0.00 173.10 177.78 2dmm s SER 5 N 2.94 6.48 -0.35 1.64 0.15 -1.26 -4.99 113.70 118.31 2dmm s SER 5 Ca 0.08 0.14 -0.08 0.00 0.70 0.00 0.00 55.95 56.79 2dmm s SER 5 Cb -0.09 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2dmm s SER 5 CO -0.16 -1.36 0.14 -0.44 1.20 0.00 0.00 173.24 172.62 2dmm s SER 6 N 2.77 5.46 -0.35 5.45 0.01 -1.26 -4.96 113.70 120.82 2dmm s SER 6 Ca 0.42 -1.08 0.11 0.00 1.31 0.00 0.00 55.95 56.71 2dmm s SER 6 Cb -0.08 -1.92 0.45 0.00 0.21 0.00 0.00 66.02 64.68 2dmm s SER 6 CO 0.26 -0.34 1.10 0.61 0.41 0.00 0.00 173.24 175.28 2dmm n GLY 7 N 4.88 4.64 0.30 3.44 0.00 -1.26 -4.91 105.19 112.27 2dmm n GLY 7 Ca -0.12 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.70 2dmm n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2dmm n PHE 8 N -0.49 0.10 -2.13 1.61 -1.74 -1.26 -4.08 117.46 109.47 2dmm n PHE 8 Ca 0.30 0.98 -0.42 0.00 -0.56 0.00 0.00 57.45 57.74 2dmm n PHE 8 Cb 0.80 -0.84 -0.03 0.00 1.52 0.00 0.00 39.48 40.94 2dmm n PHE 8 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2dmm s ASP 9 N -5.26 6.76 0.00 5.98 1.47 -1.26 -4.84 116.67 119.51 2dmm s ASP 9 Ca -0.11 2.13 0.00 0.00 1.18 0.00 0.00 52.55 55.74 2dmm s ASP 9 Cb 0.18 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.21 2dmm s ASP 9 CO 0.58 -0.84 0.00 0.61 0.68 0.00 0.00 175.17 176.20 2dmm n GLY 10 N 3.90 -0.64 3.72 2.12 0.00 -1.26 -5.03 105.19 108.00 2dmm n GLY 10 Ca 0.15 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 2dmm n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dmm n ASN 11 N 0.00 -5.39 -4.56 1.61 4.13 -1.26 -4.86 115.26 104.93 2dmm n ASN 11 Ca 0.00 -0.65 -0.33 0.00 1.68 0.00 0.00 54.58 55.28 2dmm n ASN 11 Cb 0.00 -4.56 -0.04 0.00 -1.54 0.00 0.00 39.78 33.64 2dmm n ASN 11 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2dmm s LEU 12 N -7.24 3.25 -0.23 3.41 0.20 -1.26 -4.87 118.68 111.94 2dmm s LEU 12 Ca 0.57 -0.50 -0.27 0.00 0.69 0.00 0.00 54.13 54.62 2dmm s LEU 12 Cb -0.27 -2.55 0.14 0.00 -0.43 0.00 0.00 46.19 43.08 2dmm s LEU 12 CO 0.77 -2.38 1.08 -1.59 -0.29 0.00 0.00 176.35 173.94 2dmm s LYS 13 N 6.61 0.47 -0.28 1.98 0.00 -1.26 -4.94 119.74 122.31 2dmm s LYS 13 Ca 0.63 0.32 -0.26 0.00 0.00 0.00 0.00 55.97 56.66 2dmm s LYS 13 Cb -0.07 0.22 0.17 0.00 0.00 0.00 0.00 37.83 38.15 2dmm s LYS 13 CO 0.05 -0.10 1.32 0.50 0.00 0.00 0.00 175.35 177.12 2dmm s ARG 14 N -0.41 0.18 -0.16 1.78 6.06 -1.26 -5.02 118.95 120.12 2dmm s ARG 14 Ca 0.02 0.18 -0.33 0.00 -2.50 0.00 0.00 55.73 53.10 2dmm s ARG 14 Cb -0.03 0.09 0.14 0.00 0.06 0.00 0.00 34.95 35.21 2dmm s ARG 14 CO -0.04 -0.03 1.14 1.52 -2.50 0.00 0.00 175.30 175.39 2dmm s TYR 15 N -0.14 -0.19 -0.18 5.12 1.13 -1.26 -4.07 117.35 117.76 2dmm s TYR 15 Ca 0.06 0.18 -0.03 0.00 -1.41 0.00 0.00 57.07 55.87 2dmm s TYR 15 Cb -0.04 0.51 -0.10 0.00 -1.10 0.00 0.00 41.96 41.22 2dmm s TYR 15 CO -0.12 -0.26 -0.20 1.47 -2.51 0.00 0.00 175.55 173.94 2dmm n LEU 16 N 0.07 2.29 -4.61 -3.49 -0.00 -1.26 -5.02 117.00 104.98 2dmm n LEU 16 Ca -0.03 0.04 -0.28 0.00 -0.00 0.00 0.00 56.01 55.75 2dmm n LEU 16 Cb 0.59 -0.60 -0.09 0.00 -0.00 0.00 0.00 43.42 43.32 2dmm n LEU 16 CO 0.10 0.63 -0.39 -0.75 -0.00 0.00 0.00 177.39 176.98 2dmm s LYS 17 N -2.35 2.21 0.18 1.47 2.36 -1.26 -5.01 119.74 117.33 2dmm s LYS 17 Ca -0.25 -1.11 -0.24 0.00 -2.55 0.00 0.00 55.97 51.83 2dmm s LYS 17 Cb 0.08 -2.29 0.05 0.00 -1.05 0.00 0.00 37.83 34.62 2dmm s LYS 17 CO 0.38 0.47 0.79 -1.12 1.55 0.00 0.00 175.35 177.42 2dmm s SER 18 N -2.60 -0.31 0.29 1.43 0.01 -1.26 -1.33 113.70 109.92 2dmm s SER 18 Ca 0.24 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.23 2dmm s SER 18 Cb -0.10 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 2dmm s SER 18 CO 0.16 -1.05 0.26 -1.61 0.41 0.00 0.00 173.24 171.41 2dmm s GLU 19 N -3.60 2.89 0.39 12.44 0.41 -1.18 -4.88 118.70 125.18 2dmm s GLU 19 Ca 0.08 -1.13 -0.26 0.00 -0.41 0.00 0.00 54.97 53.26 2dmm s GLU 19 Cb -0.03 -2.56 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 2dmm s GLU 19 CO -0.01 0.26 1.19 -1.25 -0.49 0.00 0.00 175.26 174.97 2dmm s PRO 20 N -3.93 4.08 0.22 0.39 0.04 -1.26 -4.67 135.00 129.87 2dmm s PRO 20 Ca 0.37 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2dmm s PRO 20 Cb -0.07 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 2dmm s PRO 20 CO 0.26 -0.32 1.32 0.42 0.04 0.00 0.00 177.00 178.72 2dmm s ILE 21 N -1.37 3.12 1.13 0.56 -1.09 -1.26 -5.02 121.20 117.27 2dmm s ILE 21 Ca 0.56 0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 59.76 2dmm s ILE 21 Cb -0.32 -3.60 0.25 0.00 -1.58 0.00 0.00 42.46 37.21 2dmm s ILE 21 CO 0.41 0.15 1.10 -2.16 -1.23 0.00 0.00 174.94 173.21 2dmm s PRO 22 N -0.32 -0.61 -0.15 2.79 0.04 -1.26 -5.02 135.00 130.46 2dmm s PRO 22 Ca 0.56 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.78 2dmm s PRO 22 Cb -0.37 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 2dmm s PRO 22 CO 0.40 -3.35 -0.11 -0.85 0.04 0.00 0.00 177.00 173.13 2dmm n GLU 23 N -4.54 0.69 -3.76 4.56 0.28 -1.26 -4.96 120.64 111.65 2dmm n GLU 23 Ca 0.10 0.07 -0.25 0.00 -0.16 0.00 0.00 57.16 56.93 2dmm n GLU 23 Cb 0.59 -1.32 -0.17 0.00 1.43 0.00 0.00 31.44 31.96 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 -5.37 2.03 -0.44 -1.84 0.15 -1.26 -5.02 113.70 101.95 2dmm s SER 24 Ca -0.19 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.17 2dmm s SER 24 Cb 0.05 -0.49 0.44 0.00 -1.71 0.00 0.00 66.02 64.31 2dmm s SER 24 CO 0.40 -0.23 1.40 0.59 1.20 0.00 0.00 173.24 176.60 2dmm n ASN 25 N 5.12 5.61 -2.24 5.45 3.02 -1.26 -4.85 115.26 126.10 2dmm n ASN 25 Ca -0.08 -3.76 -0.18 0.00 -0.03 0.00 0.00 54.58 50.53 2dmm n ASN 25 Cb 0.49 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.68 5.85 -3.91 6.41 9.92 -1.26 -4.81 116.55 128.07 2dmm n ASP 26 Ca 0.47 -2.66 -0.23 0.00 -0.53 0.00 0.00 54.79 51.84 2dmm n ASP 26 Cb 0.77 -1.39 -0.05 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 2.21 3.72 0.22 0.44 0.00 -1.26 -5.06 105.19 105.46 2dmm n GLY 27 Ca 0.48 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 0.74 -4.68 1.61 0.13 -1.89 -3.41 132.00 124.49 2dmm h PRO 28 Ca -0.30 -0.39 -0.69 0.00 -0.87 0.00 0.00 66.00 63.75 2dmm h PRO 28 Cb 0.91 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.73 2dmm h PRO 28 CO 0.49 1.01 -0.64 0.08 -0.23 0.00 0.00 178.00 178.71 2dmm s VAL 29 N -4.36 3.26 0.21 1.56 1.01 -1.26 -3.67 120.40 117.14 2dmm s VAL 29 Ca -0.12 -1.47 -0.32 0.00 0.00 0.00 0.00 61.98 60.08 2dmm s VAL 29 Cb 0.09 -2.95 -0.12 0.00 0.00 0.00 0.00 36.38 33.41 2dmm s VAL 29 CO 0.84 -0.25 1.71 -0.54 0.00 0.00 0.00 175.10 176.85 2dmm s LYS 30 N 1.27 4.13 -0.19 2.72 -0.14 -0.56 -4.64 119.74 122.33 2dmm s LYS 30 Ca -0.01 2.59 -0.29 0.00 -1.36 0.00 0.00 55.97 56.90 2dmm s LYS 30 Cb -0.20 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2dmm s LYS 30 CO -0.01 -0.74 1.02 0.08 -0.76 0.00 0.00 175.35 174.94 2dmm s VAL 31 N 1.09 4.73 -0.20 3.17 1.01 -1.26 -0.90 120.40 128.02 2dmm s VAL 31 Ca 0.74 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 64.70 2dmm s VAL 31 Cb -0.49 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.59 2dmm s VAL 31 CO 0.33 -0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.53 2dmm s VAL 32 N 2.77 2.92 -0.01 2.92 1.01 0.43 -4.92 120.40 125.52 2dmm s VAL 32 Ca 0.45 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2dmm s VAL 32 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2dmm s VAL 32 CO 0.10 0.47 -0.09 0.68 0.00 0.00 0.00 175.10 176.26 2dmm s VAL 33 N 1.38 3.51 0.28 2.92 -7.23 -1.26 -4.15 120.40 115.84 2dmm s VAL 33 Ca 0.05 -0.74 0.19 0.00 -1.81 0.00 0.00 61.98 59.66 2dmm s VAL 33 Cb -0.14 -2.48 0.29 0.00 0.56 0.00 0.00 36.38 34.61 2dmm s VAL 33 CO -0.06 0.46 1.06 0.00 -0.31 0.00 0.00 175.10 176.25 2dmm n ALA 34 N 1.79 0.83 -0.03 1.32 0.00 -1.26 0.23 120.51 123.38 2dmm n ALA 34 Ca -0.16 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2dmm n ALA 34 Cb 0.53 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 0.23 -0.49 0.00 5.08 -1.92 -2.90 114.58 114.58 2dmm h GLU 35 Ca 0.59 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.77 2dmm h GLU 35 Cb 1.75 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.85 2dmm h GLU 35 CO -0.41 0.18 0.11 0.27 -1.00 0.00 0.00 179.01 178.16 2dmm n ASN 36 N -4.95 3.73 0.20 1.42 6.94 0.63 -4.65 115.26 118.57 2dmm n ASN 36 Ca -0.04 -3.36 -0.14 0.00 -0.02 0.00 0.00 54.58 51.02 2dmm n ASN 36 Cb 0.04 -0.66 -0.08 0.00 -2.36 0.00 0.00 39.78 36.72 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 1.75 -0.47 0.00 -2.53 3.04 0.25 -1.78 116.94 117.19 2dmm h PHE 37 Ca 0.20 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2dmm h PHE 37 Cb 1.90 0.16 0.00 0.00 2.56 0.00 0.00 35.95 40.56 2dmm h PHE 37 CO 0.99 -0.16 0.00 -3.47 -2.02 0.00 0.00 178.31 173.65 2dmm n ASP 38 N -5.20 0.00 -0.06 0.41 -0.08 -1.26 0.22 116.55 110.58 2dmm n ASP 38 Ca -0.10 -0.04 -0.22 0.00 -1.51 0.00 0.00 54.79 52.92 2dmm n ASP 38 Cb 0.28 -0.20 -0.13 0.00 2.34 0.00 0.00 41.12 43.42 2dmm n ASP 38 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dmm n GLU 39 N -1.20 0.68 -0.12 -0.67 4.07 -0.99 -4.06 120.64 118.35 2dmm n GLU 39 Ca 0.07 0.33 -0.24 0.00 -0.06 0.00 0.00 57.16 57.25 2dmm n GLU 39 Cb 0.08 -1.67 -0.08 0.00 -0.06 0.00 0.00 31.44 29.71 2dmm n GLU 39 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2dmm n ILE 40 N -3.77 1.52 0.44 6.31 5.41 -0.71 -4.69 119.36 123.87 2dmm n ILE 40 Ca -0.36 -0.23 -0.17 0.00 1.00 0.00 0.00 62.75 62.99 2dmm n ILE 40 Cb 0.93 -2.02 -0.08 0.00 -0.71 0.00 0.00 39.64 37.76 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 -2.72 1.39 2.07 -0.43 -3.41 116.25 112.14 2dmm h VAL 41 Ca -0.50 -0.03 -0.54 0.00 0.82 0.00 0.00 66.70 66.44 2dmm h VAL 41 Cb 1.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2dmm h VAL 41 CO -0.30 0.00 0.98 0.20 0.02 0.00 0.00 177.57 178.47 2dmm s ASN 42 N -3.77 6.70 -0.30 0.57 -0.87 -1.01 -4.85 114.94 111.41 2dmm s ASN 42 Ca -0.17 2.28 -0.16 0.00 -1.57 0.00 0.00 52.86 53.25 2dmm s ASN 42 Cb 0.02 -2.55 0.18 0.00 -0.02 0.00 0.00 41.25 38.87 2dmm s ASN 42 CO 0.50 -0.85 1.13 0.54 -2.57 0.00 0.00 177.10 175.84 2dmm s ASN 43 N 2.58 -0.30 -0.42 -1.22 2.20 -1.26 -4.50 114.94 112.02 2dmm s ASN 43 Ca 0.71 0.23 0.01 0.00 -0.94 0.00 0.00 52.86 52.86 2dmm s ASN 43 Cb -0.35 1.27 0.46 0.00 -2.00 0.00 0.00 41.25 40.63 2dmm s ASN 43 CO 0.29 -0.06 1.85 -1.84 -2.94 0.00 0.00 177.10 174.40 2dmm n GLU 44 N 5.34 2.12 0.00 3.55 -0.00 -1.26 -4.00 120.64 126.38 2dmm n GLU 44 Ca -0.08 -2.45 0.00 0.00 -0.00 0.00 0.00 57.16 54.63 2dmm n GLU 44 Cb 0.54 -1.96 0.00 0.00 -0.00 0.00 0.00 31.44 30.02 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2dmm n ASN 45 N -0.64 2.98 -4.20 -1.84 2.85 -1.26 -4.38 115.26 108.78 2dmm n ASN 45 Ca 0.48 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.83 2dmm n ASN 45 Cb 1.11 0.29 -0.10 0.00 1.24 0.00 0.00 39.78 42.32 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2dmm s LYS 46 N -1.60 1.06 0.17 1.20 -2.85 -1.26 -5.07 119.74 111.40 2dmm s LYS 46 Ca 0.00 -1.53 -0.16 0.00 -1.00 0.00 0.00 55.97 53.29 2dmm s LYS 46 Cb 0.00 0.07 -0.07 0.00 -2.06 0.00 0.00 37.83 35.77 2dmm s LYS 46 CO 0.00 -0.25 0.60 -0.51 0.10 0.00 0.00 175.35 175.29 2dmm s ASP 47 N -3.12 6.89 -0.01 0.03 1.01 -0.55 -4.54 116.67 116.37 2dmm s ASP 47 Ca 0.28 1.18 -0.10 0.00 0.71 0.00 0.00 52.55 54.62 2dmm s ASP 47 Cb 0.07 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.68 2dmm s ASP 47 CO 0.05 0.08 0.21 -0.69 0.21 0.00 0.00 175.17 175.03 2dmm s VAL 48 N -1.49 0.06 -0.12 -1.27 1.01 -1.10 -2.10 120.40 115.40 2dmm s VAL 48 Ca 0.39 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2dmm s VAL 48 Cb -0.15 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2dmm s VAL 48 CO 0.20 -0.29 -0.17 -0.22 0.00 0.00 0.00 175.10 174.61 2dmm s LEU 49 N -1.19 1.83 -0.11 3.92 2.96 -0.96 -0.50 118.68 124.63 2dmm s LEU 49 Ca -0.13 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2dmm s LEU 49 Cb -0.06 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 2dmm s LEU 49 CO 0.02 0.04 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.51 2dmm s ILE 50 N 0.93 3.61 -0.20 6.68 1.10 0.11 -2.02 121.20 131.41 2dmm s ILE 50 Ca -0.07 -0.48 -0.00 0.00 -0.51 0.00 0.00 60.65 59.59 2dmm s ILE 50 Cb -0.15 -2.52 0.05 0.00 0.15 0.00 0.00 42.46 39.99 2dmm s ILE 50 CO -0.01 0.55 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.61 2dmm s GLU 51 N -0.15 1.55 -0.34 3.50 2.56 -1.16 0.31 118.70 124.97 2dmm s GLU 51 Ca 0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 54.97 54.02 2dmm s GLU 51 Cb -0.13 -2.30 0.01 0.00 2.00 0.00 0.00 34.13 33.70 2dmm s GLU 51 CO 0.03 -0.51 0.78 -0.06 -0.56 0.00 0.00 175.26 174.94 2dmm s PHE 52 N 1.52 3.15 0.44 5.30 0.40 0.24 -2.32 117.98 126.71 2dmm s PHE 52 Ca -0.02 0.65 0.06 0.00 -0.60 0.00 0.00 56.93 57.03 2dmm s PHE 52 Cb -0.17 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 2dmm s PHE 52 CO -0.07 -0.66 0.13 1.52 0.70 0.00 0.00 175.22 176.84 2dmm s TYR 53 N 3.03 2.41 -0.05 0.36 -0.85 -1.14 -2.51 117.35 118.60 2dmm s TYR 53 Ca 0.31 -0.68 0.02 0.00 -0.52 0.00 0.00 57.07 56.21 2dmm s TYR 53 Cb -0.14 -1.87 0.01 0.00 0.38 0.00 0.00 41.96 40.35 2dmm s TYR 53 CO 0.15 0.20 -0.09 0.00 -1.52 0.00 0.00 175.55 174.29 2dmm s ALA 54 N -2.68 1.00 -1.38 9.51 0.00 -1.26 -4.07 121.76 122.88 2dmm s ALA 54 Ca 0.34 -0.30 0.15 0.00 0.00 0.00 0.00 51.96 52.15 2dmm s ALA 54 Cb 0.05 -0.45 0.73 0.00 0.00 0.00 0.00 23.12 23.44 2dmm s ALA 54 CO 0.19 0.10 1.41 -0.35 0.00 0.00 0.00 175.76 177.11 2dmm n PRO 55 N 3.70 0.18 -0.54 0.00 -0.04 -1.26 -2.30 135.00 134.74 2dmm n PRO 55 Ca -0.22 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2dmm n PRO 55 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.31 0.00 -3.88 0.54 4.27 -1.26 -4.98 117.44 110.81 2dmm n TRP 56 Ca 0.07 -1.08 -0.29 0.00 -3.89 0.00 0.00 57.50 52.31 2dmm n TRP 56 Cb 0.12 -0.19 -0.16 0.00 -1.36 0.00 0.00 31.31 29.72 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 8.08 -1.18 -1.02 0.00 0.00 -1.94 -0.44 103.07 106.57 2dmm h GLY 58 Ca -0.21 0.61 0.42 0.00 0.00 0.00 0.00 47.33 48.15 2dmm h GLY 58 CO 0.40 -0.31 0.71 0.45 0.00 0.00 0.00 176.54 177.78 2dmm h HIS 59 N -0.70 0.68 -0.05 5.60 3.86 -1.96 1.64 115.15 124.22 2dmm h HIS 59 Ca -0.02 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 2dmm h HIS 59 Cb 0.67 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2dmm h HIS 59 CO -0.38 -0.30 -0.80 0.00 0.86 0.00 0.00 177.93 177.32 2dmm h LYS 61 N 0.24 0.47 0.00 0.00 3.64 0.38 -2.00 116.57 119.30 2dmm h LYS 61 Ca -0.04 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 2dmm h LYS 61 Cb 1.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2dmm h LYS 61 CO 0.13 0.85 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.99 2dmm h ASN 62 N 0.38 0.00 0.76 4.20 -0.73 -0.78 -3.01 115.58 116.40 2dmm h ASN 62 Ca 0.02 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.95 2dmm h ASN 62 Cb 0.98 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.53 2dmm h ASN 62 CO 0.09 0.21 -1.34 0.25 -0.37 0.00 0.00 177.43 176.26 2dmm h LEU 63 N 0.00 0.00 -0.84 0.34 5.85 -1.29 -3.35 115.31 116.02 2dmm h LEU 63 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2dmm h LEU 63 Cb 0.77 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 2dmm h LEU 63 CO 0.03 0.97 -0.38 1.21 -0.34 0.00 0.00 178.44 179.93 2dmm n GLU 64 N -3.18 -0.25 -0.01 1.25 4.07 -0.77 0.57 120.64 122.31 2dmm n GLU 64 Ca -0.08 1.28 -0.08 0.00 -0.06 0.00 0.00 57.16 58.22 2dmm n GLU 64 Cb 0.99 -1.90 0.09 0.00 -0.06 0.00 0.00 31.44 30.56 2dmm n GLU 64 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2dmm h PRO 65 N 0.00 0.58 0.00 5.31 0.13 -1.75 0.36 132.00 136.64 2dmm h PRO 65 Ca 0.24 -0.31 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 2dmm h PRO 65 Cb 0.45 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2dmm h PRO 65 CO -0.82 0.90 -0.25 0.87 -0.23 0.00 0.00 178.00 178.48 2dmm h LYS 66 N 0.48 0.00 0.05 0.86 1.57 -0.01 -3.07 116.57 116.45 2dmm h LYS 66 Ca 0.04 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.44 2dmm h LYS 66 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 2dmm h LYS 66 CO 0.08 0.25 -2.22 0.98 -0.57 0.00 0.00 179.45 177.97 2dmm n TYR 67 N -3.97 0.60 -0.16 -1.35 9.36 0.19 -3.97 117.16 117.86 2dmm n TYR 67 Ca -0.02 0.13 -0.12 0.00 3.32 0.00 0.00 57.90 61.22 2dmm n TYR 67 Cb 0.32 -1.08 -0.08 0.00 -0.63 0.00 0.00 39.34 37.87 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 0.03 -0.33 -0.81 2.98 3.64 -0.22 -0.54 116.57 121.31 2dmm h LYS 68 Ca -0.49 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.07 2dmm h LYS 68 Cb 1.99 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 33.73 2dmm h LYS 68 CO 0.00 -0.22 -0.21 0.93 -2.27 0.00 0.00 179.45 177.68 2dmm h GLU 69 N -0.35 -0.00 -1.12 1.90 5.08 -1.76 0.62 114.58 118.96 2dmm h GLU 69 Ca 0.11 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.79 2dmm h GLU 69 Cb 0.58 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 2dmm h GLU 69 CO -0.62 -0.00 0.70 1.25 -1.00 0.00 0.00 179.01 179.34 2dmm h LEU 70 N -0.00 0.41 0.75 1.33 5.85 -1.30 0.51 115.31 122.85 2dmm h LEU 70 Ca 0.39 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.19 2dmm h LEU 70 Cb 0.59 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.70 2dmm h LEU 70 CO -0.84 -0.04 -0.38 1.23 -0.34 0.00 0.00 178.44 178.08 2dmm h GLY 71 N 0.30 -1.10 2.00 3.75 0.00 0.40 0.23 103.07 108.64 2dmm h GLY 71 Ca 0.69 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 48.41 2dmm h GLY 71 CO -0.40 -0.40 -0.12 1.05 0.00 0.00 0.00 176.54 176.67 2dmm h GLU 72 N -1.03 0.00 -0.01 4.80 4.11 -1.29 -2.25 114.58 118.90 2dmm h GLU 72 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2dmm h GLU 72 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2dmm h GLU 72 CO 0.16 0.12 -0.04 0.87 0.07 0.00 0.00 179.01 180.19 2dmm h LYS 73 N 0.00 0.05 -0.00 1.06 1.79 0.17 -3.11 116.57 116.53 2dmm h LYS 73 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2dmm h LYS 73 Cb 0.51 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2dmm h LYS 73 CO 0.02 0.67 0.00 1.28 -1.08 0.00 0.00 179.45 180.33 2dmm n LEU 74 N -4.74 0.01 0.12 2.94 4.77 0.79 -3.87 117.00 117.03 2dmm n LEU 74 Ca -0.09 -0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.08 2dmm n LEU 74 Cb 0.34 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.12 2dmm n LEU 74 CO 0.35 0.00 1.17 -1.28 -1.33 0.00 0.00 177.39 176.30 2dmm h SER 75 N 0.01 0.00 -0.20 -1.43 0.87 -1.33 0.90 113.55 112.37 2dmm h SER 75 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dmm h SER 75 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dmm h SER 75 CO 0.00 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.47 2dmm n LYS 76 N -3.41 2.08 -3.67 2.24 4.81 -1.25 -4.68 118.16 114.27 2dmm n LYS 76 Ca 0.07 -0.99 -0.38 0.00 -0.87 0.00 0.00 58.31 56.13 2dmm n LYS 76 Cb 0.68 -1.59 -0.10 0.00 0.02 0.00 0.00 35.03 34.05 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dmm s ASP 77 N -0.47 5.47 0.00 3.14 1.01 0.31 -4.88 116.67 121.26 2dmm s ASP 77 Ca 0.17 -2.15 0.15 0.00 0.71 0.00 0.00 52.55 51.44 2dmm s ASP 77 Cb 0.12 -1.92 0.87 0.00 1.01 0.00 0.00 42.92 43.01 2dmm s ASP 77 CO 0.07 -0.57 1.37 -0.81 0.21 0.00 0.00 175.17 175.43 2dmm n PRO 78 N 4.51 0.40 0.00 8.23 -0.04 -1.26 -1.89 135.00 144.95 2dmm n PRO 78 Ca -0.02 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2dmm n PRO 78 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.09 1.69 -4.01 3.54 3.02 -1.26 -5.00 115.26 112.15 2dmm n ASN 79 Ca 0.10 -1.79 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 2dmm n ASN 79 Cb 0.07 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.79 0.57 -0.21 2.41 1.01 -0.79 -1.49 121.20 121.91 2dmm s ILE 80 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 2dmm s ILE 80 Cb 0.00 -0.52 0.07 0.00 0.01 0.00 0.00 42.46 42.02 2dmm s ILE 80 CO 0.00 0.03 0.10 -0.69 0.00 0.00 0.00 174.94 174.38 2dmm s VAL 81 N -0.46 0.02 -0.12 2.92 1.01 -0.89 -4.74 120.40 118.14 2dmm s VAL 81 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 2dmm s VAL 81 Cb -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2dmm s VAL 81 CO 0.00 -0.42 0.85 -0.63 0.00 0.00 0.00 175.10 174.89 2dmm s ILE 82 N 2.08 4.90 0.23 2.22 -1.09 -1.26 -2.27 121.20 126.01 2dmm s ILE 82 Ca 0.04 1.70 -0.04 0.00 -2.23 0.00 0.00 60.65 60.12 2dmm s ILE 82 Cb -0.16 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2dmm s ILE 82 CO -0.18 0.08 0.24 0.00 -1.23 0.00 0.00 174.94 173.86 2dmm s ALA 83 N 1.72 0.84 0.03 9.38 0.00 -0.86 -1.50 121.76 131.37 2dmm s ALA 83 Ca 0.41 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 2dmm s ALA 83 Cb -0.18 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 2dmm s ALA 83 CO 0.16 -0.67 -0.01 -1.59 0.00 0.00 0.00 175.76 173.65 2dmm s LYS 84 N -4.03 0.45 -0.00 0.00 -2.85 -0.08 -3.01 119.74 110.21 2dmm s LYS 84 Ca 0.35 -0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 54.48 2dmm s LYS 84 Cb 0.04 0.16 -0.00 0.00 -2.06 0.00 0.00 37.83 35.97 2dmm s LYS 84 CO 0.13 -0.08 0.02 1.41 0.10 0.00 0.00 175.35 176.92 2dmm s MET 85 N -2.44 0.11 -1.13 1.78 1.75 -0.98 -0.43 119.30 117.96 2dmm s MET 85 Ca -0.07 -0.11 -0.14 0.00 -1.25 0.00 0.00 55.69 54.12 2dmm s MET 85 Cb -0.03 0.04 0.18 0.00 2.84 0.00 0.00 34.83 37.87 2dmm s MET 85 CO -0.04 -0.02 1.31 0.34 -0.65 0.00 0.00 175.02 175.96 2dmm s ASP 86 N -0.35 7.02 0.28 1.11 2.15 -1.26 -2.88 116.67 122.74 2dmm s ASP 86 Ca -0.04 -2.91 -0.05 0.00 0.43 0.00 0.00 52.55 49.98 2dmm s ASP 86 Cb -0.03 -2.37 0.54 0.00 -0.30 0.00 0.00 42.92 40.77 2dmm s ASP 86 CO -0.00 -0.73 1.58 0.00 -0.17 0.00 0.00 175.17 175.85 2dmm h ALA 87 N 7.40 0.83 -0.51 3.66 0.00 -1.72 1.45 119.26 130.37 2dmm h ALA 87 Ca 0.26 0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.59 2dmm h ALA 87 Cb 0.91 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2dmm h ALA 87 CO 1.17 -0.46 0.34 1.79 0.00 0.00 0.00 179.25 182.10 2dmm h THR 88 N 0.01 0.94 -0.58 0.00 1.35 -1.90 0.18 112.91 112.92 2dmm h THR 88 Ca 0.50 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2dmm h THR 88 Cb 0.88 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2dmm h THR 88 CO -0.92 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 174.42 2dmm n ALA 89 N -2.52 2.75 -3.15 6.62 0.00 0.45 -4.83 120.51 119.83 2dmm n ALA 89 Ca 0.07 -1.52 0.04 0.00 0.00 0.00 0.00 53.44 52.04 2dmm n ALA 89 Cb 0.29 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 2dmm n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmm s ASN 90 N -1.04 -1.24 -0.05 0.00 0.01 0.17 -3.07 114.94 109.72 2dmm s ASN 90 Ca 0.45 0.62 -0.39 0.00 -0.71 0.00 0.00 52.86 52.83 2dmm s ASN 90 Cb 0.28 1.97 -0.18 0.00 0.41 0.00 0.00 41.25 43.73 2dmm s ASN 90 CO 0.24 -0.23 1.34 -0.67 -1.51 0.00 0.00 177.10 176.27 2dmm n ASP 91 N 5.42 1.22 -4.67 -1.22 2.03 -0.44 -4.13 116.55 114.75 2dmm n ASP 91 Ca -0.00 1.13 -0.43 0.00 0.52 0.00 0.00 54.79 56.01 2dmm n ASP 91 Cb 0.52 -1.07 -0.02 0.00 -0.72 0.00 0.00 41.12 39.83 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 1.02 4.53 0.00 5.18 1.01 -1.26 -4.81 120.40 126.07 2dmm s VAL 92 Ca 0.90 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.72 2dmm s VAL 92 Cb -1.12 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.08 2dmm s VAL 92 CO 0.56 -0.08 0.00 -0.81 0.00 0.00 0.00 175.10 174.76 2dmm n PRO 93 N 5.79 -0.32 -4.46 2.72 -0.04 -1.26 -4.93 135.00 132.51 2dmm n PRO 93 Ca 0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 2dmm n PRO 93 Cb 0.47 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.52 3.79 0.21 3.54 0.01 -1.26 -3.21 113.70 115.27 2dmm s SER 94 Ca 0.00 -1.03 0.22 0.00 1.31 0.00 0.00 55.95 56.45 2dmm s SER 94 Cb 0.00 -0.39 0.91 0.00 0.21 0.00 0.00 66.02 66.75 2dmm s SER 94 CO 0.00 -0.06 1.66 -0.81 0.41 0.00 0.00 173.24 174.44 2dmm n PRO 95 N -0.73 0.16 -1.05 12.44 -0.04 -1.26 -4.79 135.00 139.72 2dmm n PRO 95 Ca -0.05 0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 63.40 2dmm n PRO 95 Cb 0.61 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.10 1.04 -3.53 0.54 4.01 -1.20 -4.88 117.16 111.05 2dmm n TYR 96 Ca 0.02 0.69 -0.27 0.00 -0.16 0.00 0.00 57.90 58.19 2dmm n TYR 96 Cb 0.21 -1.35 -0.10 0.00 -0.31 0.00 0.00 39.34 37.80 2dmm n TYR 96 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2dmm n GLU 97 N 2.37 1.26 -2.41 -0.72 -0.58 -1.26 -4.52 120.64 114.78 2dmm n GLU 97 Ca 0.19 -3.90 -0.42 0.00 -0.42 0.00 0.00 57.16 52.60 2dmm n GLU 97 Cb -0.03 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 2dmm n GLU 97 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2dmm s VAL 98 N -1.14 4.14 0.00 2.62 1.01 -1.26 -4.87 120.40 120.90 2dmm s VAL 98 Ca 0.32 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2dmm s VAL 98 Cb 0.06 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2dmm s VAL 98 CO -0.14 -0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.50 2dmm n ARG 99 N 5.25 0.00 -4.72 2.72 5.12 -1.26 -5.05 116.66 118.72 2dmm n ARG 99 Ca 0.11 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.77 2dmm n ARG 99 Cb 0.46 -0.81 -0.17 0.00 -1.16 0.00 0.00 32.46 30.78 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 -4.10 0.95 0.19 -0.13 0.00 -1.26 -5.14 107.32 97.83 2dmm s GLY 100 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2dmm s GLY 100 CO 0.00 0.03 0.36 -1.36 0.00 0.00 0.00 173.10 172.12 2dmm s PHE 101 N 0.63 3.48 0.83 1.90 0.40 -1.26 -4.12 117.98 119.84 2dmm s PHE 101 Ca -0.15 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 2dmm s PHE 101 Cb -0.16 -1.79 0.09 0.00 0.51 0.00 0.00 43.02 41.67 2dmm s PHE 101 CO 0.04 0.42 1.09 -1.25 0.70 0.00 0.00 175.22 176.23 2dmm s PRO 102 N -3.32 1.82 -0.22 0.24 0.04 -1.26 -4.95 135.00 127.34 2dmm s PRO 102 Ca 0.37 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 2dmm s PRO 102 Cb -0.11 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2dmm s PRO 102 CO 0.29 -1.91 0.13 0.99 0.04 0.00 0.00 177.00 176.54 2dmm s THR 103 N -2.92 -0.13 -0.24 1.26 2.01 -1.04 -5.06 115.64 109.52 2dmm s THR 103 Ca 0.62 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 2dmm s THR 103 Cb -0.17 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 2dmm s THR 103 CO 0.56 -0.43 0.15 -0.63 -0.69 0.00 0.00 174.62 173.58 2dmm s ILE 104 N 2.16 5.17 0.07 1.82 1.01 -1.26 -0.59 121.20 129.57 2dmm s ILE 104 Ca 0.05 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.90 2dmm s ILE 104 Cb -0.16 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2dmm s ILE 104 CO -0.20 0.34 -0.22 -0.31 0.00 0.00 0.00 174.94 174.55 2dmm s TYR 105 N 1.20 1.90 -0.08 3.97 2.02 0.15 -2.23 117.35 124.28 2dmm s TYR 105 Ca 0.07 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 2dmm s TYR 105 Cb -0.14 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2dmm s TYR 105 CO 0.05 0.16 -0.21 0.12 -1.57 0.00 0.00 175.55 174.11 2dmm s PHE 106 N -0.95 2.58 -0.65 2.71 5.36 0.61 0.05 117.98 127.70 2dmm s PHE 106 Ca 0.08 -0.68 -0.11 0.00 -0.96 0.00 0.00 56.93 55.25 2dmm s PHE 106 Cb -0.09 -1.68 0.17 0.00 -0.34 0.00 0.00 43.02 41.07 2dmm s PHE 106 CO 0.03 -0.19 0.56 -1.12 -1.46 0.00 0.00 175.22 173.04 2dmm s SER 107 N -0.04 6.14 0.89 6.13 0.01 0.34 -1.86 113.70 125.32 2dmm s SER 107 Ca -0.06 -2.36 -0.11 0.00 1.31 0.00 0.00 55.95 54.73 2dmm s SER 107 Cb -0.15 -2.10 0.12 0.00 0.21 0.00 0.00 66.02 64.11 2dmm s SER 107 CO 0.05 -0.62 1.09 -2.16 0.41 0.00 0.00 173.24 172.00 2dmm s PRO 108 N 0.69 1.31 0.22 12.44 0.04 -1.26 -2.71 135.00 145.73 2dmm s PRO 108 Ca 0.12 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 2dmm s PRO 108 Cb -0.20 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2dmm s PRO 108 CO -0.04 -2.21 0.91 0.00 0.04 0.00 0.00 177.00 175.71 2dmm s ALA 109 N -2.93 3.36 -0.78 8.56 0.00 -1.26 -3.57 121.76 125.14 2dmm s ALA 109 Ca 0.63 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2dmm s ALA 109 Cb -0.18 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2dmm s ALA 109 CO 0.57 0.21 0.00 0.27 0.00 0.00 0.00 175.76 176.81 2dmm n ASN 110 N 1.57 -2.63 -0.26 0.00 6.94 -1.26 -4.71 115.26 114.91 2dmm n ASN 110 Ca -0.02 0.26 0.05 0.00 -0.02 0.00 0.00 54.58 54.85 2dmm n ASN 110 Cb 0.47 -2.42 0.07 0.00 -2.36 0.00 0.00 39.78 35.55 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 -2.23 0.72 -0.05 -3.83 5.02 -1.23 -4.90 118.16 111.66 2dmm n LYS 111 Ca -0.09 -1.84 -0.02 0.00 -2.02 0.00 0.00 58.31 54.34 2dmm n LYS 111 Cb 0.45 -1.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.00 -0.04 -0.70 1.97 1.79 -1.85 -0.70 116.57 117.05 2dmm h LYS 112 Ca 0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 2dmm h LYS 112 Cb 1.17 0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.71 2dmm h LYS 112 CO 0.00 -0.02 -0.22 1.28 -1.08 0.00 0.00 179.45 179.41 2dmm n LEU 113 N -3.27 -0.34 -4.12 2.94 7.99 -1.26 -2.83 117.00 116.11 2dmm n LEU 113 Ca -0.00 1.21 -0.37 0.00 -0.01 0.00 0.00 56.01 56.84 2dmm n LEU 113 Cb 0.05 -0.33 -0.10 0.00 -0.11 0.00 0.00 43.42 42.93 2dmm n LEU 113 CO -0.01 -1.13 -0.07 0.20 -1.51 0.00 0.00 177.39 174.88 2dmm s ASN 114 N -5.21 5.31 1.02 -1.43 -0.87 -0.28 -4.81 114.94 108.67 2dmm s ASN 114 Ca -0.10 -2.35 -0.02 0.00 -1.57 0.00 0.00 52.86 48.82 2dmm s ASN 114 Cb 0.17 -1.86 0.02 0.00 -0.02 0.00 0.00 41.25 39.56 2dmm s ASN 114 CO 0.52 -0.49 0.09 -0.81 -2.57 0.00 0.00 177.10 173.84 2dmm n PRO 115 N 4.18 -1.19 -3.64 -0.60 -0.04 -1.13 -4.78 135.00 127.80 2dmm n PRO 115 Ca 0.01 -0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 2dmm n PRO 115 Cb 0.40 -0.13 -0.17 0.00 -0.04 0.00 0.00 33.50 33.56 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 -3.20 0.18 0.64 0.54 -0.14 -0.77 -4.97 119.74 112.02 2dmm s LYS 116 Ca 0.06 -0.15 -0.14 0.00 -1.36 0.00 0.00 55.97 54.38 2dmm s LYS 116 Cb -0.01 -1.88 -0.02 0.00 -1.68 0.00 0.00 37.83 34.25 2dmm s LYS 116 CO 0.04 -0.66 1.06 0.21 -0.76 0.00 0.00 175.35 175.25 2dmm s LYS 117 N 2.08 3.10 -0.56 1.68 2.20 -1.26 -0.28 119.74 126.70 2dmm s LYS 117 Ca 0.01 1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 56.68 2dmm s LYS 117 Cb -0.16 -2.01 0.14 0.00 -1.51 0.00 0.00 37.83 34.30 2dmm s LYS 117 CO -0.09 -0.98 0.44 -0.47 -0.36 0.00 0.00 175.35 173.90 2dmm s TYR 118 N -2.64 3.47 -0.40 4.03 6.14 -0.95 -4.82 117.35 122.18 2dmm s TYR 118 Ca 0.62 -2.02 -0.05 0.00 0.64 0.00 0.00 57.07 56.27 2dmm s TYR 118 Cb -0.16 -3.52 0.10 0.00 0.42 0.00 0.00 41.96 38.80 2dmm s TYR 118 CO 0.43 -0.97 0.20 -1.21 0.64 0.00 0.00 175.55 174.65 2dmm s GLU 119 N 0.91 2.21 0.00 4.97 2.02 -1.26 -4.76 118.70 122.79 2dmm s GLU 119 Ca 0.10 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.41 2dmm s GLU 119 Cb -0.23 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.40 2dmm s GLU 119 CO -0.02 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2dmm n GLY 120 N 4.69 -0.78 3.72 -1.39 0.00 -1.26 -5.13 105.19 105.03 2dmm n GLY 120 Ca -0.06 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 2.81 0.00 -0.02 0.00 -1.26 -4.93 107.32 103.91 2dmm s GLY 121 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.07 2dmm s GLY 121 CO 0.00 1.43 2.68 0.54 0.00 0.00 0.00 173.10 177.75 2dmm n ARG 122 N 3.64 1.42 -4.20 2.90 1.74 -1.26 -4.49 116.66 116.41 2dmm n ARG 122 Ca 0.02 -0.44 -0.35 0.00 -0.77 0.00 0.00 57.85 56.32 2dmm n ARG 122 Cb 0.51 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.49 3.59 0.16 5.56 2.12 -1.26 -4.93 118.70 124.43 2dmm s GLU 123 Ca 0.30 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 55.07 2dmm s GLU 123 Cb 0.14 -3.02 0.12 0.00 0.26 0.00 0.00 34.13 31.63 2dmm s GLU 123 CO 0.00 0.42 1.20 -0.11 -0.54 0.00 0.00 175.26 176.24 2dmm n LEU 124 N 3.03 -0.60 -0.11 2.70 -0.00 -1.25 0.11 117.00 120.87 2dmm n LEU 124 Ca -0.18 1.36 -0.07 0.00 -0.00 0.00 0.00 56.01 57.13 2dmm n LEU 124 Cb 0.53 -0.27 0.01 0.00 -0.00 0.00 0.00 43.42 43.69 2dmm n LEU 124 CO 0.32 -1.19 0.98 0.77 -0.00 0.00 0.00 177.39 178.27 2dmm h SER 125 N 0.00 0.25 -0.97 1.96 4.64 -1.95 -1.68 113.55 115.81 2dmm h SER 125 Ca 0.23 0.02 0.21 0.00 -0.47 0.00 0.00 61.79 61.78 2dmm h SER 125 Cb 0.42 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.40 2dmm h SER 125 CO -0.76 0.19 0.62 0.44 -0.87 0.00 0.00 176.83 176.45 2dmm h ASP 126 N 0.37 0.56 -0.16 4.97 5.19 0.50 -0.27 116.42 127.58 2dmm h ASP 126 Ca 0.16 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 2dmm h ASP 126 Cb 0.08 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 2dmm h ASP 126 CO -0.12 0.20 -0.17 -0.26 -3.12 0.00 0.00 179.24 175.77 2dmm h PHE 127 N 0.55 0.48 0.83 4.55 0.04 -0.27 -1.09 116.94 122.01 2dmm h PHE 127 Ca 0.53 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 61.12 2dmm h PHE 127 Cb 1.13 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2dmm h PHE 127 CO -0.00 0.78 -0.45 0.82 -0.60 0.00 0.00 178.31 178.86 2dmm h ILE 128 N 0.04 0.09 -0.03 -0.55 2.04 -0.56 -2.37 117.51 116.17 2dmm h ILE 128 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2dmm h ILE 128 Cb 0.71 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2dmm h ILE 128 CO 0.04 0.00 0.01 -1.28 0.00 0.00 0.00 178.15 176.93 2dmm h SER 129 N -1.18 0.03 -0.45 1.72 0.87 -1.23 -1.15 113.55 112.15 2dmm h SER 129 Ca -0.11 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2dmm h SER 129 Cb 0.92 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 2dmm h SER 129 CO 0.15 0.03 0.29 0.22 -0.53 0.00 0.00 176.83 176.98 2dmm h TYR 130 N 0.04 0.54 0.00 2.24 5.03 -0.80 -3.02 116.97 121.00 2dmm h TYR 130 Ca 0.01 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.15 2dmm h TYR 130 Cb 0.00 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.12 2dmm h TYR 130 CO 0.00 0.33 -0.70 -0.07 -1.32 0.00 0.00 178.16 176.40 2dmm h LEU 131 N 0.58 0.61 -0.87 2.82 3.38 -0.90 -1.58 115.31 119.36 2dmm h LEU 131 Ca 0.17 -0.76 0.35 0.00 0.09 0.00 0.00 57.88 57.73 2dmm h LEU 131 Cb -0.03 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 40.39 2dmm h LEU 131 CO -0.06 1.30 0.49 0.00 0.09 0.00 0.00 178.44 180.26 2dmm n GLN 132 N -4.14 -0.04 -0.14 1.13 6.02 -0.49 0.52 117.38 120.24 2dmm n GLN 132 Ca -0.11 1.09 -0.28 0.00 -0.01 0.00 0.00 57.00 57.70 2dmm n GLN 132 Cb 0.72 -2.00 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 2dmm n GLN 132 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2dmm n ARG 133 N -4.72 0.60 0.24 -1.09 1.85 -1.20 -4.58 116.66 107.75 2dmm n ARG 133 Ca 0.31 0.26 -0.15 0.00 -1.00 0.00 0.00 57.85 57.27 2dmm n ARG 133 Cb 1.09 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 30.90 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dmm h GLU 134 N -0.84 -0.82 -6.09 2.89 4.39 -0.09 -3.42 114.58 110.60 2dmm h GLU 134 Ca -0.67 0.06 -0.78 0.00 0.34 0.00 0.00 59.36 58.31 2dmm h GLU 134 Cb 1.65 0.19 0.04 0.00 -0.10 0.00 0.00 28.75 30.52 2dmm h GLU 134 CO -0.36 -0.55 0.43 0.00 -1.16 0.00 0.00 179.01 177.37 2dmm n ALA 135 N -2.74 -1.95 -0.41 3.43 0.00 0.18 -4.89 120.51 114.14 2dmm n ALA 135 Ca -0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2dmm n ALA 135 Cb 0.39 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.79 0.00 0.04 0.00 -2.24 -1.26 -3.39 114.28 110.22 2dmm n THR 136 Ca 0.23 1.30 -0.13 0.00 -2.27 0.00 0.00 64.05 63.18 2dmm n THR 136 Cb 0.08 -2.12 -0.06 0.00 -2.10 0.00 0.00 70.33 66.13 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 -1.26 -4.56 3.42 0.87 -1.93 -3.49 113.55 106.60 2dmm h SER 137 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2dmm h SER 137 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2dmm h SER 137 CO 0.00 -0.45 0.00 0.61 -0.53 0.00 0.00 176.83 176.46 2dmm n GLY 138 N -1.44 -0.16 3.76 5.77 0.00 -1.22 -5.00 105.19 106.90 2dmm n GLY 138 Ca -0.05 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.79 2.16 1.00 1.61 0.04 -1.26 -4.90 135.00 131.85 2dmm s PRO 139 Ca 0.00 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 2dmm s PRO 139 Cb 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2dmm s PRO 139 CO 0.00 -1.71 -0.59 0.43 0.04 0.00 0.00 177.00 175.18 2dmm n SER 140 N -3.56 -4.31 -3.70 6.66 7.64 -1.26 -5.01 113.62 110.08 2dmm n SER 140 Ca 0.09 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 2dmm n SER 140 Cb 0.53 -0.84 -0.13 0.00 -1.01 0.00 0.00 64.21 62.77 2dmm n SER 140 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmm s SER 141 N -1.31 -0.09 0.00 6.43 1.04 -1.26 -5.25 113.70 113.26 2dmm s SER 141 Ca 0.45 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2dmm s SER 141 Cb -0.13 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dmm s SER 141 CO 0.75 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.38