#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm s SER 2 N 0.00 -0.15 -0.46 1.61 1.04 -1.26 -5.05 113.70 109.42 2dmm s SER 2 Ca 0.00 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.27 2dmm s SER 2 Cb 0.00 0.31 0.44 0.00 0.10 0.00 0.00 66.02 66.87 2dmm s SER 2 CO 0.00 -0.55 1.49 -0.24 0.98 0.00 0.00 173.24 174.92 2dmm n SER 3 N -0.39 5.91 -2.35 7.02 2.88 -1.26 -4.93 113.62 120.49 2dmm n SER 3 Ca -0.06 -3.76 -0.00 0.00 -1.33 0.00 0.00 58.87 53.71 2dmm n SER 3 Cb 0.61 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2dmm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmm n GLY 4 N -0.73 -0.82 0.12 0.46 0.00 -1.26 -5.00 105.19 97.97 2dmm n GLY 4 Ca 0.50 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.48 2dmm n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmm h SER 5 N 0.27 0.37 -3.48 1.61 4.64 -2.00 -3.45 113.55 111.51 2dmm h SER 5 Ca 0.00 -0.87 -0.63 0.00 -0.47 0.00 0.00 61.79 59.82 2dmm h SER 5 Cb 0.99 -0.12 -0.18 0.00 -0.31 0.00 0.00 62.40 62.78 2dmm h SER 5 CO 0.16 1.52 -0.57 -0.44 -0.87 0.00 0.00 176.83 176.63 2dmm s SER 6 N -6.98 5.55 0.08 4.97 0.01 -1.26 -5.08 113.70 110.98 2dmm s SER 6 Ca -0.18 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2dmm s SER 6 Cb 0.03 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 2dmm s SER 6 CO 0.77 0.08 0.07 0.61 0.41 0.00 0.00 173.24 175.19 2dmm n GLY 7 N 4.16 3.63 3.53 3.44 0.00 -1.26 -5.10 105.19 113.58 2dmm n GLY 7 Ca -0.16 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.69 2.61 0.55 1.61 0.40 -1.26 -5.01 117.98 114.19 2dmm s PHE 8 Ca 0.09 0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 2dmm s PHE 8 Cb 0.00 -4.36 0.05 0.00 0.51 0.00 0.00 43.02 39.23 2dmm s PHE 8 CO 0.06 -1.62 0.50 -0.51 0.70 0.00 0.00 175.22 174.35 2dmm s ASP 9 N 3.20 4.75 0.00 1.36 1.11 -1.26 -4.99 116.67 120.85 2dmm s ASP 9 Ca 0.34 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 51.93 2dmm s ASP 9 Cb -0.11 0.37 0.00 0.00 1.07 0.00 0.00 42.92 44.25 2dmm s ASP 9 CO 0.19 -1.16 0.00 0.61 1.18 0.00 0.00 175.17 175.99 2dmm n GLY 10 N -1.88 0.53 3.38 0.21 0.00 -1.26 -5.06 105.19 101.10 2dmm n GLY 10 Ca 0.03 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 2dmm n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmm s ASN 11 N -0.54 7.07 -0.60 1.61 0.01 -1.26 -4.88 114.94 116.35 2dmm s ASN 11 Ca 0.00 -3.10 0.06 0.00 -0.71 0.00 0.00 52.86 49.11 2dmm s ASN 11 Cb 0.00 -2.27 0.30 0.00 0.41 0.00 0.00 41.25 39.69 2dmm s ASN 11 CO 0.00 -0.54 0.86 0.18 -1.51 0.00 0.00 177.10 176.09 2dmm n LEU 12 N 4.07 4.08 -3.71 0.60 4.32 -1.26 -4.94 117.00 120.16 2dmm n LEU 12 Ca 0.25 -5.57 -0.29 0.00 -0.02 0.00 0.00 56.01 50.39 2dmm n LEU 12 Cb 0.43 -0.57 -0.09 0.00 -1.62 0.00 0.00 43.42 41.56 2dmm n LEU 12 CO 0.48 2.23 0.08 2.29 -1.22 0.00 0.00 177.39 181.25 2dmm n LYS 13 N 0.23 2.28 -4.14 3.23 -0.00 -1.26 -4.74 118.16 113.77 2dmm n LYS 13 Ca 0.30 -4.58 -0.30 0.00 -0.00 0.00 0.00 58.31 53.74 2dmm n LYS 13 Cb 0.40 -2.29 -0.16 0.00 -0.00 0.00 0.00 35.03 32.98 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 -1.96 2.32 -0.08 -1.58 6.06 -1.26 -5.11 118.95 117.34 2dmm s ARG 14 Ca 0.32 -0.57 -0.30 0.00 -2.50 0.00 0.00 55.73 52.68 2dmm s ARG 14 Cb 0.04 -2.08 0.10 0.00 0.06 0.00 0.00 34.95 33.08 2dmm s ARG 14 CO -0.09 -0.19 0.87 1.52 -2.50 0.00 0.00 175.30 174.91 2dmm s TYR 15 N 1.35 -0.45 -0.22 5.12 1.13 -1.26 -4.10 117.35 118.93 2dmm s TYR 15 Ca 0.02 0.66 0.03 0.00 -1.41 0.00 0.00 57.07 56.37 2dmm s TYR 15 Cb -0.13 0.46 -0.15 0.00 -1.10 0.00 0.00 41.96 41.04 2dmm s TYR 15 CO -0.09 -0.48 -0.17 1.47 -2.51 0.00 0.00 175.55 173.77 2dmm n LEU 16 N 0.51 2.72 -4.95 -3.49 -0.00 -1.26 -5.00 117.00 105.53 2dmm n LEU 16 Ca -0.13 -0.11 -0.21 0.00 -0.00 0.00 0.00 56.01 55.56 2dmm n LEU 16 Cb 0.59 -0.67 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 2dmm n LEU 16 CO 0.17 0.84 -0.06 -0.75 -0.00 0.00 0.00 177.39 177.58 2dmm s LYS 17 N -2.44 3.36 -0.21 1.47 2.20 -1.26 -4.98 119.74 117.88 2dmm s LYS 17 Ca -0.28 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.24 2dmm s LYS 17 Cb 0.07 -2.84 0.15 0.00 -1.51 0.00 0.00 37.83 33.70 2dmm s LYS 17 CO 0.53 0.43 1.13 -1.54 -0.36 0.00 0.00 175.35 175.54 2dmm s SER 18 N -3.91 -0.25 0.28 1.43 1.04 -1.25 -3.22 113.70 107.81 2dmm s SER 18 Ca 0.34 0.28 0.07 0.00 0.48 0.00 0.00 55.95 57.11 2dmm s SER 18 Cb -0.09 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2dmm s SER 18 CO 0.28 -0.23 0.30 -1.61 0.98 0.00 0.00 173.24 172.96 2dmm s GLU 19 N -1.03 3.04 0.42 4.02 0.41 -1.26 -4.93 118.70 119.36 2dmm s GLU 19 Ca 0.02 -1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 53.31 2dmm s GLU 19 Cb -0.01 -2.67 -0.08 0.00 -1.78 0.00 0.00 34.13 29.60 2dmm s GLU 19 CO -0.02 0.30 1.18 -1.25 -0.49 0.00 0.00 175.26 174.98 2dmm s PRO 20 N -3.96 3.95 0.15 0.39 0.04 -1.26 -4.43 135.00 129.89 2dmm s PRO 20 Ca 0.37 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 2dmm s PRO 20 Cb -0.08 -2.60 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2dmm s PRO 20 CO 0.27 -0.41 1.25 0.42 0.04 0.00 0.00 177.00 178.57 2dmm s ILE 21 N -1.44 3.57 1.24 0.56 -1.09 -1.26 -5.00 121.20 117.79 2dmm s ILE 21 Ca 0.59 1.23 -0.21 0.00 -2.23 0.00 0.00 60.65 60.04 2dmm s ILE 21 Cb -0.31 -3.79 0.31 0.00 -1.58 0.00 0.00 42.46 37.09 2dmm s ILE 21 CO 0.38 0.16 1.11 -2.16 -1.23 0.00 0.00 174.94 173.20 2dmm s PRO 22 N 0.30 -1.55 -0.18 2.79 0.04 -1.26 -5.02 135.00 130.11 2dmm s PRO 22 Ca 0.57 -0.19 0.08 0.00 0.04 0.00 0.00 61.00 61.50 2dmm s PRO 22 Cb -0.33 -1.57 -0.17 0.00 0.04 0.00 0.00 34.50 32.47 2dmm s PRO 22 CO 0.34 -3.91 -0.06 -0.85 0.04 0.00 0.00 177.00 172.57 2dmm n GLU 23 N -4.87 0.97 -3.69 4.56 0.28 -1.26 -4.99 120.64 111.64 2dmm n GLU 23 Ca 0.15 0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 57.10 2dmm n GLU 23 Cb 0.60 -1.41 -0.11 0.00 1.43 0.00 0.00 31.44 31.95 2dmm n GLU 23 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2dmm s SER 24 N -5.46 -0.35 -0.53 -1.84 0.01 -1.26 -5.05 113.70 99.23 2dmm s SER 24 Ca -0.17 0.86 0.02 0.00 1.31 0.00 0.00 55.95 57.97 2dmm s SER 24 Cb 0.06 0.89 0.43 0.00 0.21 0.00 0.00 66.02 67.61 2dmm s SER 24 CO 0.57 -0.21 1.60 0.59 0.41 0.00 0.00 173.24 176.20 2dmm n ASN 25 N 4.66 6.24 0.02 2.44 3.02 -1.26 -4.74 115.26 125.64 2dmm n ASN 25 Ca -0.18 -3.77 0.21 0.00 -0.03 0.00 0.00 54.58 50.80 2dmm n ASN 25 Cb 0.53 -0.69 0.72 0.00 -0.61 0.00 0.00 39.78 39.73 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2dmm h ASP 26 N 2.31 0.00 -1.63 6.41 3.58 -1.96 -3.43 116.42 121.69 2dmm h ASP 26 Ca 0.47 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.41 2dmm h ASP 26 Cb 0.96 0.00 0.25 0.00 1.72 0.00 0.00 39.33 42.26 2dmm h ASP 26 CO 1.16 0.00 -2.14 0.61 -2.88 0.00 0.00 179.24 176.00 2dmm n GLY 27 N -1.60 -3.46 0.28 -0.78 0.00 -1.26 -4.82 105.19 93.55 2dmm n GLY 27 Ca 0.09 -0.46 0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.15 0.00 -4.49 1.61 0.13 -1.90 -3.40 132.00 122.80 2dmm h PRO 28 Ca -0.43 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 2dmm h PRO 28 Cb 1.35 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.11 2dmm h PRO 28 CO 0.24 0.03 -0.79 0.08 -0.23 0.00 0.00 178.00 177.33 2dmm s VAL 29 N -3.71 1.68 0.32 1.56 1.01 -1.26 -3.20 120.40 116.79 2dmm s VAL 29 Ca 0.01 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 2dmm s VAL 29 Cb 0.09 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.47 2dmm s VAL 29 CO 0.55 -0.04 1.34 0.29 0.00 0.00 0.00 175.10 177.23 2dmm n LYS 30 N 4.62 2.15 -3.12 2.72 4.76 -0.47 -4.63 118.16 124.20 2dmm n LYS 30 Ca -0.13 0.76 -0.43 0.00 -2.87 0.00 0.00 58.31 55.64 2dmm n LYS 30 Cb 0.44 -2.37 -0.07 0.00 -1.84 0.00 0.00 35.03 31.19 2dmm n LYS 30 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dmm s VAL 31 N -0.79 4.84 -0.22 -0.18 1.01 -1.26 0.17 120.40 123.98 2dmm s VAL 31 Ca 0.59 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 2dmm s VAL 31 Cb -0.58 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 2dmm s VAL 31 CO 0.59 -0.56 0.06 -0.69 0.00 0.00 0.00 175.10 174.50 2dmm s VAL 32 N 2.78 4.46 0.07 2.92 1.01 0.70 -4.93 120.40 127.41 2dmm s VAL 32 Ca 0.22 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.17 2dmm s VAL 32 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2dmm s VAL 32 CO 0.18 0.39 -0.26 0.68 0.00 0.00 0.00 175.10 176.09 2dmm s VAL 33 N 1.12 2.21 0.19 2.92 -7.23 -1.26 -4.08 120.40 114.27 2dmm s VAL 33 Ca 0.04 -1.47 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2dmm s VAL 33 Cb -0.14 -1.89 0.23 0.00 0.56 0.00 0.00 36.38 35.13 2dmm s VAL 33 CO 0.03 0.30 0.91 0.00 -0.31 0.00 0.00 175.10 176.03 2dmm n ALA 34 N 1.55 0.41 -0.09 1.32 0.00 -1.26 0.23 120.51 122.68 2dmm n ALA 34 Ca -0.17 0.61 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2dmm n ALA 34 Cb 0.52 -0.51 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 0.09 -0.73 0.00 5.08 -1.88 -2.75 114.58 114.38 2dmm h GLU 35 Ca 0.41 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 58.25 2dmm h GLU 35 Cb 0.95 -0.02 -0.34 0.00 0.50 0.00 0.00 28.75 29.84 2dmm h GLU 35 CO -0.51 0.06 -0.30 0.27 -1.00 0.00 0.00 179.01 177.52 2dmm n ASN 36 N -5.18 5.17 0.03 1.42 6.94 0.64 -4.74 115.26 119.54 2dmm n ASN 36 Ca 0.01 -3.77 -0.09 0.00 -0.02 0.00 0.00 54.58 50.71 2dmm n ASN 36 Cb 0.17 -0.54 -0.07 0.00 -2.36 0.00 0.00 39.78 36.99 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 1.94 -0.16 0.00 -2.53 3.04 -0.04 -2.88 116.94 116.30 2dmm h PHE 37 Ca 0.40 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2dmm h PHE 37 Cb 1.36 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.93 2dmm h PHE 37 CO 1.02 0.24 0.00 -0.44 -2.02 0.00 0.00 178.31 177.11 2dmm h ASP 38 N -0.94 0.00 0.10 0.41 5.19 -1.85 0.54 116.42 119.87 2dmm h ASP 38 Ca -0.02 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.22 2dmm h ASP 38 Cb 0.48 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.01 2dmm h ASP 38 CO 0.03 0.00 -0.72 -0.08 -3.12 0.00 0.00 179.24 175.35 2dmm h GLU 39 N 0.00 0.31 0.00 3.56 4.57 -1.79 -3.28 114.58 117.95 2dmm h GLU 39 Ca 0.00 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 57.65 2dmm h GLU 39 Cb 0.21 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2dmm h GLU 39 CO 0.00 1.19 -1.07 -0.89 -1.18 0.00 0.00 179.01 177.07 2dmm n ILE 40 N -4.18 1.49 0.04 2.32 5.41 -1.00 -4.66 119.36 118.77 2dmm n ILE 40 Ca -0.13 0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.58 2dmm n ILE 40 Cb 0.77 -2.30 -0.08 0.00 -0.71 0.00 0.00 39.64 37.32 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 -3.06 1.39 2.07 -0.14 -3.39 116.25 112.12 2dmm h VAL 41 Ca -0.09 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.89 2dmm h VAL 41 Cb 0.97 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2dmm h VAL 41 CO -0.05 0.00 0.70 0.20 0.02 0.00 0.00 177.57 178.44 2dmm s ASN 42 N -4.40 6.98 -0.30 0.57 0.01 -1.16 -4.68 114.94 111.97 2dmm s ASN 42 Ca -0.13 2.00 -0.11 0.00 -0.71 0.00 0.00 52.86 53.91 2dmm s ASN 42 Cb 0.06 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.33 2dmm s ASN 42 CO 0.51 -0.59 1.00 0.21 -1.51 0.00 0.00 177.10 176.72 2dmm s ASN 43 N 1.44 -0.56 0.21 -1.22 3.84 -1.26 -4.54 114.94 112.86 2dmm s ASN 43 Ca 0.60 0.23 0.26 0.00 0.21 0.00 0.00 52.86 54.16 2dmm s ASN 43 Cb -0.29 1.42 0.84 0.00 -0.55 0.00 0.00 41.25 42.67 2dmm s ASN 43 CO 0.26 -0.10 1.78 -0.62 -2.79 0.00 0.00 177.10 175.62 2dmm n GLU 44 N 5.35 0.25 -0.03 0.43 1.02 -1.26 -3.53 120.64 122.86 2dmm n GLU 44 Ca -0.01 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 2dmm n GLU 44 Cb 0.55 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 30.09 2dmm n GLU 44 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2dmm h ASN 45 N 0.00 0.55 -5.10 1.62 -0.73 -1.99 -3.40 115.58 106.54 2dmm h ASN 45 Ca 0.00 -0.63 -0.16 0.00 1.87 0.00 0.00 56.30 57.38 2dmm h ASN 45 Cb 0.70 -0.16 -0.15 0.00 0.27 0.00 0.00 38.32 38.97 2dmm h ASN 45 CO 0.00 1.10 -0.68 -1.59 -0.37 0.00 0.00 177.43 175.89 2dmm s LYS 46 N -3.71 0.72 0.55 6.67 -2.85 -1.23 -5.11 119.74 114.78 2dmm s LYS 46 Ca -0.13 -1.28 -0.17 0.00 -1.00 0.00 0.00 55.97 53.38 2dmm s LYS 46 Cb 0.05 0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2dmm s LYS 46 CO 0.81 -0.11 1.04 -0.51 0.10 0.00 0.00 175.35 176.68 2dmm s ASP 47 N -2.97 6.06 -0.07 0.03 1.11 -1.16 -4.60 116.67 115.07 2dmm s ASP 47 Ca 0.11 1.83 -0.05 0.00 0.18 0.00 0.00 52.55 54.62 2dmm s ASP 47 Cb 0.07 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.55 2dmm s ASP 47 CO -0.07 -0.98 0.17 -0.69 1.18 0.00 0.00 175.17 174.79 2dmm s VAL 48 N -2.32 -0.02 -0.22 -1.27 1.01 -0.97 -3.06 120.40 113.56 2dmm s VAL 48 Ca 0.64 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2dmm s VAL 48 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2dmm s VAL 48 CO 0.31 0.03 -0.06 -0.22 0.00 0.00 0.00 175.10 175.16 2dmm s LEU 49 N 0.57 2.83 -0.11 3.92 2.96 -0.85 0.32 118.68 128.32 2dmm s LEU 49 Ca -0.04 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2dmm s LEU 49 Cb -0.05 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2dmm s LEU 49 CO -0.03 -0.02 0.01 -0.51 -1.32 0.00 0.00 176.35 174.48 2dmm s ILE 50 N 1.46 4.34 -0.17 6.68 1.10 0.22 -2.21 121.20 132.62 2dmm s ILE 50 Ca 0.06 -0.22 -0.00 0.00 -0.51 0.00 0.00 60.65 59.97 2dmm s ILE 50 Cb -0.14 -2.86 0.04 0.00 0.15 0.00 0.00 42.46 39.65 2dmm s ILE 50 CO -0.04 0.57 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.58 2dmm s GLU 51 N -0.48 1.65 0.02 3.50 -6.30 -1.14 0.01 118.70 115.96 2dmm s GLU 51 Ca 0.09 -0.60 -0.17 0.00 -2.50 0.00 0.00 54.97 51.79 2dmm s GLU 51 Cb -0.12 -2.11 -0.06 0.00 0.00 0.00 0.00 34.13 31.84 2dmm s GLU 51 CO 0.02 -0.42 0.48 -0.06 0.02 0.00 0.00 175.26 175.30 2dmm s PHE 52 N 1.56 3.75 0.31 5.30 0.08 0.18 -2.01 117.98 127.16 2dmm s PHE 52 Ca 0.01 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.16 2dmm s PHE 52 Cb -0.15 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 2dmm s PHE 52 CO -0.08 0.60 0.37 1.52 -0.10 0.00 0.00 175.22 177.53 2dmm s TYR 53 N -1.01 1.26 -0.04 0.36 -0.85 -1.17 -1.88 117.35 114.02 2dmm s TYR 53 Ca 0.26 -1.39 0.02 0.00 -0.52 0.00 0.00 57.07 55.43 2dmm s TYR 53 Cb -0.18 -0.33 0.02 0.00 0.38 0.00 0.00 41.96 41.84 2dmm s TYR 53 CO 0.15 -0.98 -0.07 0.00 -1.52 0.00 0.00 175.55 173.14 2dmm s ALA 54 N -3.38 0.83 -1.07 9.51 0.00 -1.26 -3.75 121.76 122.63 2dmm s ALA 54 Ca 0.34 -0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.26 2dmm s ALA 54 Cb 0.01 -0.43 0.63 0.00 0.00 0.00 0.00 23.12 23.34 2dmm s ALA 54 CO 0.21 0.05 1.44 -0.35 0.00 0.00 0.00 175.76 177.12 2dmm n PRO 55 N 3.82 0.04 -0.60 0.00 -0.04 -1.26 -2.21 135.00 134.75 2dmm n PRO 55 Ca -0.23 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2dmm n PRO 55 Cb 0.52 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.46 1.14 -3.74 0.54 4.27 -1.26 -4.89 117.44 112.04 2dmm n TRP 56 Ca 0.04 -1.13 -0.28 0.00 -3.89 0.00 0.00 57.50 52.24 2dmm n TRP 56 Cb 0.16 -0.41 -0.16 0.00 -1.36 0.00 0.00 31.31 29.54 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 8.22 1.26 -0.74 0.00 0.00 -1.90 0.24 103.07 110.15 2dmm h GLY 58 Ca -0.16 -0.13 0.17 0.00 0.00 0.00 0.00 47.33 47.21 2dmm h GLY 58 CO 0.35 -0.34 -0.23 0.45 0.00 0.00 0.00 176.54 176.77 2dmm h HIS 59 N 0.14 -0.51 -0.85 5.60 3.86 -1.95 0.59 115.15 122.03 2dmm h HIS 59 Ca 0.78 0.08 0.10 0.00 -1.16 0.00 0.00 60.37 60.16 2dmm h HIS 59 Cb 2.38 0.36 -0.07 0.00 1.06 0.00 0.00 27.41 31.14 2dmm h HIS 59 CO -0.00 -0.38 0.49 0.00 0.86 0.00 0.00 177.93 178.90 2dmm h LYS 61 N 0.81 1.15 -0.20 0.00 1.63 0.03 1.45 116.57 121.45 2dmm h LYS 61 Ca 0.41 -0.17 -0.17 0.00 -0.85 0.00 0.00 60.65 59.87 2dmm h LYS 61 Cb 0.38 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2dmm h LYS 61 CO -0.25 0.89 -0.57 -0.97 -3.45 0.00 0.00 179.45 175.10 2dmm h ASN 62 N 1.13 0.69 1.56 4.20 -1.24 -0.05 -3.08 115.58 118.79 2dmm h ASN 62 Ca 0.28 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 2dmm h ASN 62 Cb 0.12 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2dmm h ASN 62 CO -0.03 1.11 -0.44 0.25 -1.29 0.00 0.00 177.43 177.03 2dmm h LEU 63 N 0.47 0.00 -0.80 0.34 5.85 -0.37 -3.36 115.31 117.44 2dmm h LEU 63 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2dmm h LEU 63 Cb 1.13 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 2dmm h LEU 63 CO 0.11 0.01 -0.51 -0.08 -0.34 0.00 0.00 178.44 177.63 2dmm h GLU 64 N 0.00 -0.11 -0.16 1.25 4.81 0.21 0.63 114.58 121.21 2dmm h GLU 64 Ca -0.00 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2dmm h GLU 64 Cb 1.01 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2dmm h GLU 64 CO 0.00 -0.08 -0.45 -1.00 -0.73 0.00 0.00 179.01 176.75 2dmm h PRO 65 N -0.12 0.39 0.00 0.92 0.13 -1.73 0.22 132.00 131.80 2dmm h PRO 65 Ca 0.19 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 2dmm h PRO 65 Cb 0.51 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2dmm h PRO 65 CO -0.83 0.76 -0.30 0.87 -0.23 0.00 0.00 178.00 178.27 2dmm h LYS 66 N 0.32 0.00 0.00 0.86 1.57 -1.07 -3.10 116.57 115.14 2dmm h LYS 66 Ca 0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 2dmm h LYS 66 Cb 0.92 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 2dmm h LYS 66 CO 0.08 0.30 -1.74 0.98 -0.57 0.00 0.00 179.45 178.49 2dmm n TYR 67 N -3.99 0.65 -0.23 -1.35 9.36 0.20 -4.01 117.16 117.79 2dmm n TYR 67 Ca -0.02 0.28 -0.06 0.00 3.32 0.00 0.00 57.90 61.42 2dmm n TYR 67 Cb 0.36 -1.07 -0.05 0.00 -0.63 0.00 0.00 39.34 37.95 2dmm n TYR 67 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2dmm n LYS 68 N -4.34 -0.24 -0.34 2.98 4.81 0.74 0.20 118.16 121.97 2dmm n LYS 68 Ca -0.40 1.23 0.14 0.00 -0.87 0.00 0.00 58.31 58.40 2dmm n LYS 68 Cb 0.76 -1.82 0.27 0.00 0.02 0.00 0.00 35.03 34.27 2dmm n LYS 68 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2dmm n GLU 69 N -4.22 -0.08 -0.34 1.64 1.02 -1.17 0.18 120.64 117.66 2dmm n GLU 69 Ca 0.01 1.47 0.11 0.00 -0.02 0.00 0.00 57.16 58.73 2dmm n GLU 69 Cb 0.14 -2.33 0.30 0.00 -0.02 0.00 0.00 31.44 29.53 2dmm n GLU 69 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dmm h LEU 70 N 0.00 0.82 0.34 -4.62 5.85 -0.44 0.68 115.31 117.94 2dmm h LEU 70 Ca 0.58 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.36 2dmm h LEU 70 Cb 1.18 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2dmm h LEU 70 CO -0.93 0.37 -0.23 1.23 -0.34 0.00 0.00 178.44 178.55 2dmm h GLY 71 N 0.85 -0.81 2.00 3.75 0.00 0.21 0.27 103.07 109.34 2dmm h GLY 71 Ca 0.53 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 48.16 2dmm h GLY 71 CO -0.30 -0.28 -0.16 1.05 0.00 0.00 0.00 176.54 176.84 2dmm h GLU 72 N -0.53 0.00 -0.15 4.80 4.11 -1.43 -2.67 114.58 118.71 2dmm h GLU 72 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 2dmm h GLU 72 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dmm h GLU 72 CO 0.03 0.16 -0.15 0.87 0.07 0.00 0.00 179.01 179.99 2dmm h LYS 73 N 0.00 0.37 -0.00 1.06 1.79 0.59 -2.88 116.57 117.50 2dmm h LYS 73 Ca -0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2dmm h LYS 73 Cb 0.50 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2dmm h LYS 73 CO 0.02 0.75 0.00 1.28 -1.08 0.00 0.00 179.45 180.42 2dmm n LEU 74 N -4.54 0.03 -0.25 2.94 4.77 0.94 -3.86 117.00 117.03 2dmm n LEU 74 Ca -0.06 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 2dmm n LEU 74 Cb 0.37 -0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.90 2dmm n LEU 74 CO 0.39 0.01 1.22 -1.28 -1.33 0.00 0.00 177.39 176.40 2dmm h SER 75 N 0.04 0.54 0.00 -1.43 0.87 -1.25 0.40 113.55 112.72 2dmm h SER 75 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2dmm h SER 75 Cb 0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2dmm h SER 75 CO 0.00 0.25 0.00 0.29 -0.53 0.00 0.00 176.83 176.85 2dmm n LYS 76 N -4.54 0.03 -3.32 2.24 4.01 -1.25 -4.17 118.16 111.16 2dmm n LYS 76 Ca 0.18 0.53 -0.46 0.00 -0.51 0.00 0.00 58.31 58.05 2dmm n LYS 76 Cb 0.56 -1.61 -0.05 0.00 -0.51 0.00 0.00 35.03 33.41 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dmm s ASP 77 N -3.24 6.18 0.00 4.39 1.11 0.14 -4.91 116.67 120.34 2dmm s ASP 77 Ca -0.01 -1.72 0.14 0.00 0.18 0.00 0.00 52.55 51.14 2dmm s ASP 77 Cb 0.02 -2.21 0.83 0.00 1.07 0.00 0.00 42.92 42.63 2dmm s ASP 77 CO 0.05 -0.83 1.25 -0.81 1.18 0.00 0.00 175.17 176.01 2dmm n PRO 78 N 5.25 0.49 -0.06 8.23 -0.04 -1.26 -2.81 135.00 144.80 2dmm n PRO 78 Ca -0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2dmm n PRO 78 Cb 0.41 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.95 3.06 -4.58 3.54 3.02 -1.26 -4.94 115.26 113.15 2dmm n ASN 79 Ca 0.10 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2dmm n ASN 79 Cb 0.05 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.24 4.69 -0.27 2.41 1.01 -1.12 -3.00 121.20 122.68 2dmm s ILE 80 Ca -0.15 0.85 -0.06 0.00 0.00 0.00 0.00 60.65 61.28 2dmm s ILE 80 Cb 0.04 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 2dmm s ILE 80 CO 0.28 -0.50 0.06 -0.69 0.00 0.00 0.00 174.94 174.08 2dmm s VAL 81 N 3.20 3.96 -0.22 2.92 1.01 -1.17 -4.76 120.40 125.34 2dmm s VAL 81 Ca 0.32 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2dmm s VAL 81 Cb -0.13 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2dmm s VAL 81 CO 0.18 0.20 0.51 -0.63 0.00 0.00 0.00 175.10 175.37 2dmm s ILE 82 N 1.53 5.10 0.24 2.22 -1.09 -1.26 -2.00 121.20 125.93 2dmm s ILE 82 Ca 0.04 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 2dmm s ILE 82 Cb -0.16 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2dmm s ILE 82 CO 0.02 0.15 0.14 0.00 -1.23 0.00 0.00 174.94 174.02 2dmm s ALA 83 N 1.81 1.47 0.04 9.38 0.00 -0.94 -1.37 121.76 132.16 2dmm s ALA 83 Ca 0.23 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2dmm s ALA 83 Cb -0.15 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 2dmm s ALA 83 CO 0.09 -0.55 -0.04 -1.59 0.00 0.00 0.00 175.76 173.67 2dmm s LYS 84 N -4.03 0.51 -0.12 0.00 -2.85 0.13 -2.87 119.74 110.52 2dmm s LYS 84 Ca 0.38 -0.94 -0.08 0.00 -1.00 0.00 0.00 55.97 54.33 2dmm s LYS 84 Cb 0.07 0.06 0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2dmm s LYS 84 CO 0.14 -0.06 0.29 1.41 0.10 0.00 0.00 175.35 177.24 2dmm s MET 85 N -2.68 0.29 -1.03 1.78 1.75 -0.85 -0.22 119.30 118.35 2dmm s MET 85 Ca -0.03 0.52 -0.19 0.00 -1.25 0.00 0.00 55.69 54.74 2dmm s MET 85 Cb -0.01 0.01 0.11 0.00 2.84 0.00 0.00 34.83 37.78 2dmm s MET 85 CO -0.05 -0.11 1.31 0.34 -0.65 0.00 0.00 175.02 175.87 2dmm s ASP 86 N 0.83 6.67 0.03 1.11 -1.08 -1.26 -3.04 116.67 119.93 2dmm s ASP 86 Ca -0.06 -2.05 -0.07 0.00 -0.52 0.00 0.00 52.55 49.86 2dmm s ASP 86 Cb -0.07 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 2dmm s ASP 86 CO -0.06 -1.15 1.12 0.00 0.52 0.00 0.00 175.17 175.60 2dmm h ALA 87 N 8.76 -0.26 -1.69 3.66 0.00 -1.73 0.66 119.26 128.67 2dmm h ALA 87 Ca 0.22 0.01 0.50 0.00 0.00 0.00 0.00 54.91 55.64 2dmm h ALA 87 Cb 0.99 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 19.65 2dmm h ALA 87 CO 1.25 -0.34 1.20 -2.37 0.00 0.00 0.00 179.25 179.00 2dmm n THR 88 N -3.42 -0.03 0.00 0.00 5.66 -1.26 0.25 114.28 115.47 2dmm n THR 88 Ca -0.00 1.37 -0.16 0.00 -3.05 0.00 0.00 64.05 62.21 2dmm n THR 88 Cb 0.07 -2.28 -0.14 0.00 -1.55 0.00 0.00 70.33 66.42 2dmm n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmm h ALA 89 N 0.97 0.55 -3.39 1.79 0.00 -0.40 -3.45 119.26 115.33 2dmm h ALA 89 Ca 0.83 -1.39 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 2dmm h ALA 89 Cb 3.26 0.58 -0.37 0.00 0.00 0.00 0.00 17.79 21.26 2dmm h ALA 89 CO -0.07 1.40 -0.81 -0.80 0.00 0.00 0.00 179.25 178.97 2dmm s ASN 90 N -6.67 3.33 -0.32 0.00 0.01 0.68 -3.85 114.94 108.12 2dmm s ASN 90 Ca -0.14 -0.84 -0.41 0.00 -0.71 0.00 0.00 52.86 50.76 2dmm s ASN 90 Cb 0.07 -1.25 -0.16 0.00 0.41 0.00 0.00 41.25 40.32 2dmm s ASN 90 CO 0.80 -0.13 1.77 -0.67 -1.51 0.00 0.00 177.10 177.36 2dmm n ASP 91 N 4.68 2.21 -4.66 -1.22 2.03 -1.20 -4.19 116.55 114.20 2dmm n ASP 91 Ca -0.15 1.04 -0.43 0.00 0.52 0.00 0.00 54.79 55.77 2dmm n ASP 91 Cb 0.47 -1.11 -0.02 0.00 -0.72 0.00 0.00 41.12 39.74 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 3.78 4.33 0.61 5.18 1.01 -1.26 -4.76 120.40 129.29 2dmm s VAL 92 Ca 1.00 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 64.49 2dmm s VAL 92 Cb -1.12 -4.04 0.15 0.00 0.00 0.00 0.00 36.38 31.37 2dmm s VAL 92 CO 0.67 -0.14 0.54 -0.81 0.00 0.00 0.00 175.10 175.36 2dmm n PRO 93 N 6.56 -2.09 -4.09 2.72 -0.04 -1.26 -4.89 135.00 131.91 2dmm n PRO 93 Ca 0.14 -0.87 -0.22 0.00 -0.04 0.00 0.00 63.50 62.51 2dmm n PRO 93 Cb 0.45 -0.82 -0.04 0.00 -0.04 0.00 0.00 33.50 33.05 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmm s SER 94 N -2.97 5.63 0.48 3.54 1.04 -1.26 -2.93 113.70 117.22 2dmm s SER 94 Ca 0.35 -0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.85 2dmm s SER 94 Cb -0.03 -1.47 1.11 0.00 0.10 0.00 0.00 66.02 65.73 2dmm s SER 94 CO 0.27 -0.03 1.90 1.55 0.98 0.00 0.00 173.24 177.91 2dmm h PRO 95 N 1.52 0.00 -2.24 4.02 0.13 -1.93 -3.47 132.00 130.03 2dmm h PRO 95 Ca -0.49 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 2dmm h PRO 95 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2dmm h PRO 95 CO 0.61 0.17 0.39 0.66 -0.23 0.00 0.00 178.00 179.60 2dmm n TYR 96 N -3.39 0.53 -3.78 1.56 4.01 -1.15 -4.87 117.16 110.08 2dmm n TYR 96 Ca -0.00 0.35 -0.30 0.00 -0.16 0.00 0.00 57.90 57.79 2dmm n TYR 96 Cb 0.37 -0.85 -0.13 0.00 -0.31 0.00 0.00 39.34 38.42 2dmm n TYR 96 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dmm s GLU 97 N 1.74 1.44 -0.76 -0.72 2.56 -1.26 -4.44 118.70 117.26 2dmm s GLU 97 Ca 0.42 -2.13 -0.27 0.00 0.00 0.00 0.00 54.97 53.00 2dmm s GLU 97 Cb -0.56 -2.58 0.03 0.00 2.00 0.00 0.00 34.13 33.02 2dmm s GLU 97 CO 0.27 -1.14 1.29 0.08 -0.56 0.00 0.00 175.26 175.20 2dmm s VAL 98 N 0.24 3.73 -0.25 3.70 1.01 -1.26 -4.80 120.40 122.78 2dmm s VAL 98 Ca 0.17 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 2dmm s VAL 98 Cb -0.25 -4.93 -0.17 0.00 0.00 0.00 0.00 36.38 31.04 2dmm s VAL 98 CO -0.00 -1.86 -0.17 0.54 0.00 0.00 0.00 175.10 173.60 2dmm n ARG 99 N 9.35 0.64 -4.46 2.72 5.12 -1.26 -4.97 116.66 123.80 2dmm n ARG 99 Ca 0.05 0.23 -0.22 0.00 -1.93 0.00 0.00 57.85 55.98 2dmm n ARG 99 Cb 0.49 -1.55 -0.16 0.00 -1.16 0.00 0.00 32.46 30.08 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 -5.94 0.63 0.19 -0.13 0.00 -1.26 -5.15 107.32 95.67 2dmm s GLY 100 Ca -0.34 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.07 2dmm s GLY 100 CO 0.58 0.01 0.27 -1.36 0.00 0.00 0.00 173.10 172.60 2dmm s PHE 101 N 0.40 3.37 0.44 1.90 0.40 -1.26 -3.87 117.98 119.35 2dmm s PHE 101 Ca -0.07 0.03 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 2dmm s PHE 101 Cb -0.12 -1.58 -0.08 0.00 0.51 0.00 0.00 43.02 41.76 2dmm s PHE 101 CO 0.01 0.50 1.17 -1.25 0.70 0.00 0.00 175.22 176.36 2dmm s PRO 102 N -3.48 3.87 -0.13 0.24 0.04 -1.26 -5.05 135.00 129.23 2dmm s PRO 102 Ca 0.33 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2dmm s PRO 102 Cb -0.10 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2dmm s PRO 102 CO 0.27 -0.47 -0.20 0.99 0.04 0.00 0.00 177.00 177.64 2dmm s THR 103 N -1.49 2.31 -0.12 1.26 2.01 -0.79 -5.05 115.64 113.79 2dmm s THR 103 Ca 0.61 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2dmm s THR 103 Cb -0.30 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.29 2dmm s THR 103 CO 0.37 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.00 2dmm s ILE 104 N 0.67 1.92 0.11 1.82 1.01 -1.26 0.49 121.20 125.96 2dmm s ILE 104 Ca -0.10 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2dmm s ILE 104 Cb -0.16 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2dmm s ILE 104 CO 0.02 0.52 -0.17 -0.31 0.00 0.00 0.00 174.94 175.00 2dmm s TYR 105 N 0.66 1.56 -0.07 3.97 2.02 0.10 -2.07 117.35 123.51 2dmm s TYR 105 Ca -0.12 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 2dmm s TYR 105 Cb -0.16 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 2dmm s TYR 105 CO 0.02 0.18 -0.15 0.12 -1.57 0.00 0.00 175.55 174.15 2dmm s PHE 106 N -1.59 1.74 -0.55 2.71 5.36 0.45 -0.61 117.98 125.49 2dmm s PHE 106 Ca 0.07 -0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 55.22 2dmm s PHE 106 Cb -0.08 -1.23 0.13 0.00 -0.34 0.00 0.00 43.02 41.50 2dmm s PHE 106 CO 0.04 -0.31 0.50 0.45 -1.46 0.00 0.00 175.22 174.44 2dmm s SER 107 N 0.56 6.17 0.87 6.13 0.15 0.15 -1.69 113.70 126.04 2dmm s SER 107 Ca -0.15 -1.87 -0.11 0.00 0.70 0.00 0.00 55.95 54.52 2dmm s SER 107 Cb -0.16 -2.19 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 2dmm s SER 107 CO 0.05 -0.82 1.09 -2.16 1.20 0.00 0.00 173.24 172.60 2dmm s PRO 108 N 1.47 1.45 0.13 5.44 0.04 -1.26 -2.28 135.00 139.99 2dmm s PRO 108 Ca 0.04 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 2dmm s PRO 108 Cb -0.28 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2dmm s PRO 108 CO 0.02 -2.13 1.00 0.00 0.04 0.00 0.00 177.00 175.93 2dmm s ALA 109 N -2.93 3.28 -0.92 8.56 0.00 -1.26 -3.51 121.76 124.98 2dmm s ALA 109 Ca 0.63 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 2dmm s ALA 109 Cb -0.18 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2dmm s ALA 109 CO 0.57 -0.07 0.15 0.27 0.00 0.00 0.00 175.76 176.68 2dmm n ASN 110 N 2.68 -3.19 -1.76 0.00 6.94 -1.26 -4.79 115.26 113.88 2dmm n ASN 110 Ca 0.02 0.06 -0.00 0.00 -0.02 0.00 0.00 54.58 54.64 2dmm n ASN 110 Cb 0.48 -2.72 0.06 0.00 -2.36 0.00 0.00 39.78 35.25 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 -3.03 1.19 0.24 -3.83 5.02 -1.23 -4.90 118.16 111.62 2dmm n LYS 111 Ca -0.07 -2.91 -0.15 0.00 -2.02 0.00 0.00 58.31 53.15 2dmm n LYS 111 Cb 0.56 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.49 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 1.58 -0.61 -1.05 1.97 1.79 -1.87 -2.32 116.57 116.06 2dmm h LYS 112 Ca -0.09 0.04 0.36 0.00 -2.18 0.00 0.00 60.65 58.78 2dmm h LYS 112 Cb 1.52 0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 32.16 2dmm h LYS 112 CO 0.18 -0.41 0.60 -0.07 -1.08 0.00 0.00 179.45 178.68 2dmm h LEU 113 N -0.64 0.42 -6.82 2.94 4.07 -1.98 -3.16 115.31 110.15 2dmm h LEU 113 Ca -0.04 0.20 -0.60 0.00 0.08 0.00 0.00 57.88 57.52 2dmm h LEU 113 Cb 0.54 0.17 -0.40 0.00 1.08 0.00 0.00 40.66 42.05 2dmm h LEU 113 CO 0.03 -0.22 -0.78 0.21 -1.08 0.00 0.00 178.44 176.59 2dmm s ASN 114 N -4.75 3.35 0.76 -0.43 3.84 -0.90 -4.97 114.94 111.83 2dmm s ASN 114 Ca -0.09 -2.47 0.00 0.00 0.21 0.00 0.00 52.86 50.51 2dmm s ASN 114 Cb 0.31 -0.78 0.00 0.00 -0.55 0.00 0.00 41.25 40.23 2dmm s ASN 114 CO 0.79 -0.28 0.00 -0.81 -2.79 0.00 0.00 177.10 174.01 2dmm n PRO 115 N 3.72 -0.53 -3.73 0.43 -0.04 -1.02 -4.83 135.00 129.00 2dmm n PRO 115 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 2dmm n PRO 115 Cb 0.36 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.65 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 -2.27 0.60 -0.06 0.54 -0.14 -0.68 -4.96 119.74 112.76 2dmm s LYS 116 Ca 0.00 -0.32 -0.28 0.00 -1.36 0.00 0.00 55.97 54.01 2dmm s LYS 116 Cb 0.00 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 2dmm s LYS 116 CO 0.00 -0.60 0.90 0.21 -0.76 0.00 0.00 175.35 175.10 2dmm s LYS 117 N 1.90 4.47 -0.62 1.68 2.20 -1.26 -0.41 119.74 127.70 2dmm s LYS 117 Ca 0.00 1.23 -0.26 0.00 -0.36 0.00 0.00 55.97 56.58 2dmm s LYS 117 Cb -0.16 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2dmm s LYS 117 CO -0.08 -0.10 1.87 -0.47 -0.36 0.00 0.00 175.35 176.21 2dmm s TYR 118 N 1.27 1.65 -0.62 4.03 5.04 -0.88 -4.91 117.35 122.93 2dmm s TYR 118 Ca 0.46 0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 55.85 2dmm s TYR 118 Cb -0.19 -4.08 0.16 0.00 0.35 0.00 0.00 41.96 38.20 2dmm s TYR 118 CO 0.22 -2.30 0.44 -1.21 -1.34 0.00 0.00 175.55 171.36 2dmm s GLU 119 N 7.06 2.58 0.00 4.97 2.02 -1.26 -4.70 118.70 129.37 2dmm s GLU 119 Ca 0.68 -2.50 0.00 0.00 0.02 0.00 0.00 54.97 53.17 2dmm s GLU 119 Cb -0.13 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2dmm s GLU 119 CO 0.20 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.72 2dmm n GLY 120 N 3.55 1.94 3.81 -1.39 0.00 -1.26 -5.15 105.19 106.68 2dmm n GLY 120 Ca 0.08 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.06 2.71 0.00 -0.02 0.00 -1.26 -4.95 107.32 103.74 2dmm s GLY 121 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 2dmm s GLY 121 CO 0.00 0.52 2.62 0.54 0.00 0.00 0.00 173.10 176.78 2dmm n ARG 122 N 1.62 1.38 -3.78 2.90 3.00 -1.26 -4.52 116.66 115.99 2dmm n ARG 122 Ca -0.09 -0.40 -0.35 0.00 -0.01 0.00 0.00 57.85 56.99 2dmm n ARG 122 Cb 0.50 -1.41 -0.09 0.00 0.00 0.00 0.00 32.46 31.46 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 0.45 4.07 0.16 5.56 2.12 -1.26 -4.89 118.70 124.91 2dmm s GLU 123 Ca 0.27 -0.28 -0.17 0.00 0.36 0.00 0.00 54.97 55.15 2dmm s GLU 123 Cb 0.13 -3.40 0.10 0.00 0.26 0.00 0.00 34.13 31.22 2dmm s GLU 123 CO 0.00 0.19 1.17 -0.11 -0.54 0.00 0.00 175.26 175.97 2dmm n LEU 124 N 3.83 -0.60 -0.07 2.70 -0.00 -1.26 0.82 117.00 122.43 2dmm n LEU 124 Ca -0.16 1.33 -0.10 0.00 -0.00 0.00 0.00 56.01 57.08 2dmm n LEU 124 Cb 0.52 -0.26 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 2dmm n LEU 124 CO 0.36 -1.15 0.91 0.77 -0.00 0.00 0.00 177.39 178.28 2dmm h SER 125 N 0.00 0.30 -1.10 1.96 4.64 -1.94 -2.43 113.55 114.99 2dmm h SER 125 Ca 0.21 -0.10 0.31 0.00 -0.47 0.00 0.00 61.79 61.74 2dmm h SER 125 Cb 0.40 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 62.31 2dmm h SER 125 CO -0.74 0.32 0.70 0.44 -0.87 0.00 0.00 176.83 176.68 2dmm h ASP 126 N 0.27 0.40 -0.01 4.97 5.19 0.13 0.41 116.42 127.78 2dmm h ASP 126 Ca 0.08 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2dmm h ASP 126 Cb 0.08 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2dmm h ASP 126 CO -0.01 0.01 -0.03 -0.26 -3.12 0.00 0.00 179.24 175.83 2dmm h PHE 127 N 0.32 0.06 -0.16 4.55 0.04 -0.70 -2.10 116.94 118.94 2dmm h PHE 127 Ca 0.65 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.45 2dmm h PHE 127 Cb 1.76 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 39.83 2dmm h PHE 127 CO -0.00 0.66 -0.37 0.82 -0.60 0.00 0.00 178.31 178.81 2dmm h ILE 128 N -0.56 0.20 -0.63 -0.55 2.04 -0.61 -0.53 117.51 116.86 2dmm h ILE 128 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2dmm h ILE 128 Cb 0.66 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2dmm h ILE 128 CO 0.01 0.00 0.30 -1.28 0.00 0.00 0.00 178.15 177.18 2dmm h SER 129 N -0.43 0.80 -0.53 1.72 0.87 -1.40 -0.93 113.55 113.66 2dmm h SER 129 Ca 0.09 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2dmm h SER 129 Cb 0.59 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 2dmm h SER 129 CO -0.40 0.68 0.27 0.22 -0.53 0.00 0.00 176.83 177.07 2dmm h TYR 130 N 0.89 0.50 -0.19 2.24 3.20 -0.48 -2.61 116.97 120.52 2dmm h TYR 130 Ca 0.22 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.91 2dmm h TYR 130 Cb 0.09 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.22 2dmm h TYR 130 CO 0.01 0.24 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.02 2dmm h LEU 131 N 0.52 0.92 -0.87 2.82 3.38 -0.78 -1.44 115.31 119.87 2dmm h LEU 131 Ca 0.24 -0.60 0.34 0.00 0.09 0.00 0.00 57.88 57.94 2dmm h LEU 131 Cb 0.14 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 40.46 2dmm h LEU 131 CO -0.16 1.37 0.38 0.00 0.09 0.00 0.00 178.44 180.12 2dmm n GLN 132 N -3.99 -0.06 -0.08 1.13 6.02 -0.39 -0.23 117.38 119.78 2dmm n GLN 132 Ca -0.07 1.22 -0.08 0.00 -0.01 0.00 0.00 57.00 58.06 2dmm n GLN 132 Cb 0.70 -2.14 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 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 -5.02 0.50 -0.35 -1.09 5.12 -1.21 -4.60 116.66 110.00 2dmm n ARG 133 Ca 0.31 0.20 0.01 0.00 -1.93 0.00 0.00 57.85 56.43 2dmm n ARG 133 Cb 1.04 -1.38 0.06 0.00 -1.16 0.00 0.00 32.46 31.02 2dmm n ARG 133 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dmm n GLU 134 N -4.37 -0.18 -1.94 5.56 -0.58 -0.55 -4.40 120.64 114.18 2dmm n GLU 134 Ca -0.13 1.45 -0.35 0.00 -0.42 0.00 0.00 57.16 57.71 2dmm n GLU 134 Cb 0.49 -2.15 0.04 0.00 -0.57 0.00 0.00 31.44 29.24 2dmm n GLU 134 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dmm s ALA 135 N -5.97 2.51 -0.18 0.62 0.00 0.68 -4.99 121.76 114.43 2dmm s ALA 135 Ca -0.13 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2dmm s ALA 135 Cb 0.21 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.77 2dmm s ALA 135 CO 0.69 -1.17 0.28 1.79 0.00 0.00 0.00 175.76 177.35 2dmm h THR 136 N 0.57 0.96 -0.11 0.00 1.35 -1.85 -3.40 112.91 110.43 2dmm h THR 136 Ca -0.49 -2.03 0.03 0.00 -0.55 0.00 0.00 66.41 63.36 2dmm h THR 136 Cb 1.27 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 69.76 2dmm h THR 136 CO 0.55 0.33 -0.49 0.28 -0.25 0.00 0.00 175.52 175.93 2dmm h SER 137 N -1.00 -1.57 -3.98 5.36 0.02 -1.94 -3.48 113.55 106.95 2dmm h SER 137 Ca -0.22 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dmm h SER 137 Cb 1.10 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2dmm h SER 137 CO -0.13 -0.45 -0.46 0.61 -1.14 0.00 0.00 176.83 175.26 2dmm n GLY 138 N -1.40 -3.59 0.22 -3.77 0.00 -1.26 -4.70 105.19 90.69 2dmm n GLY 138 Ca -0.06 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.04 2dmm n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 139 N 0.43 0.00 -5.75 1.61 0.13 -1.88 -3.47 132.00 123.06 2dmm h PRO 139 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 2dmm h PRO 139 Cb 0.24 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.51 2dmm h PRO 139 CO 0.00 0.24 -0.67 0.43 -0.23 0.00 0.00 178.00 177.77 2dmm n SER 140 N -3.53 -6.16 -3.62 1.44 7.64 -1.26 -2.07 113.62 106.05 2dmm n SER 140 Ca -0.01 -0.53 -0.24 0.00 1.01 0.00 0.00 58.87 59.10 2dmm n SER 140 Cb 0.40 -4.96 0.07 0.00 -1.01 0.00 0.00 64.21 58.71 2dmm n SER 140 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmm n SER 141 N -2.94 -5.70 0.00 6.43 7.64 -1.26 -5.31 113.62 112.48 2dmm n SER 141 Ca -0.00 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2dmm n SER 141 Cb 0.56 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64