#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmb s VAL 2 N 0.00 2.12 -0.19 5.09 1.01 -1.26 -4.09 120.40 123.07 1nmb s VAL 2 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1nmb s VAL 2 Cb 0.00 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.40 1nmb s VAL 2 CO 0.00 0.02 0.20 -1.10 0.00 0.00 0.00 175.10 174.22 1nmb s GLN 3 N -0.74 0.17 -0.47 2.72 -0.21 0.12 -4.96 119.66 116.28 1nmb s GLN 3 Ca 0.61 0.18 -0.11 0.00 0.02 0.00 0.00 55.36 56.07 1nmb s GLN 3 Cb -0.47 -1.25 0.11 0.00 1.00 0.00 0.00 33.01 32.40 1nmb s GLN 3 CO 0.50 -0.64 0.36 -0.51 -2.12 0.00 0.00 175.29 172.87 1nmb s LEU 4 N 2.30 5.68 -0.13 2.90 1.43 -1.26 -0.35 118.68 129.25 1nmb s LEU 4 Ca 0.06 -1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 51.17 1nmb s LEU 4 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1nmb s LEU 4 CO -0.11 -0.69 0.56 -1.10 0.23 0.00 0.00 176.35 175.24 1nmb s GLN 5 N 1.43 4.33 -0.01 1.70 -0.21 0.10 -4.03 119.66 122.96 1nmb s GLN 5 Ca 0.05 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.01 1nmb s GLN 5 Cb -0.26 -3.48 0.02 0.00 1.00 0.00 0.00 33.01 30.29 1nmb s GLN 5 CO 0.01 0.04 0.01 -1.14 -2.12 0.00 0.00 175.29 172.08 1nmb s GLN 6 N 0.98 0.06 0.91 2.91 0.74 -1.26 -1.79 119.66 122.21 1nmb s GLN 6 Ca 0.29 0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.64 1nmb s GLN 6 Cb -0.16 -0.21 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 1nmb s GLN 6 CO 0.12 -0.09 0.26 -2.30 -0.55 0.00 0.00 175.29 172.73 1nmb n PRO 7 N 3.70 -0.13 0.11 1.67 -0.02 -1.26 -4.63 135.00 134.44 1nmb n PRO 7 Ca -0.21 -0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.17 1nmb n PRO 7 Cb 0.54 -1.72 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1nmb n PRO 7 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1nmb h GLY 8 N -1.23 -0.37 -4.80 -1.23 0.00 -1.97 -3.32 103.07 90.14 1nmb h GLY 8 Ca -0.44 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1nmb h GLY 8 CO 0.34 -0.14 -0.12 0.00 0.00 0.00 0.00 176.54 176.63 1nmb s ALA 9 N -3.88 -1.20 -0.13 3.60 0.00 -1.26 -1.48 121.76 117.40 1nmb s ALA 9 Ca -0.11 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1nmb s ALA 9 Cb 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1nmb s ALA 9 CO 0.39 -0.26 -0.06 -1.21 0.00 0.00 0.00 175.76 174.62 1nmb s GLU 10 N -0.40 3.41 -0.23 0.00 0.41 -0.07 -4.92 118.70 116.91 1nmb s GLU 10 Ca -0.05 -0.55 -0.02 0.00 -0.41 0.00 0.00 54.97 53.94 1nmb s GLU 10 Cb -0.03 -2.80 0.01 0.00 -1.78 0.00 0.00 34.13 29.53 1nmb s GLU 10 CO 0.03 0.34 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.56 1nmb s LEU 11 N 0.06 2.93 0.01 1.80 1.43 -1.26 -0.42 118.68 123.23 1nmb s LEU 11 Ca -0.01 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1nmb s LEU 11 Cb -0.14 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1nmb s LEU 11 CO 0.03 -0.07 0.04 0.54 0.23 0.00 0.00 176.35 177.11 1nmb s VAL 12 N 1.37 0.08 0.28 -1.59 0.11 -0.59 -4.99 120.40 115.05 1nmb s VAL 12 Ca 0.03 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1nmb s VAL 12 Cb -0.15 -0.27 -0.10 0.00 -1.53 0.00 0.00 36.38 34.33 1nmb s VAL 12 CO -0.06 -0.35 1.24 -0.54 -3.33 0.00 0.00 175.10 172.07 1nmb s LYS 13 N -1.09 4.45 0.02 1.54 3.01 -1.26 -3.19 119.74 123.22 1nmb s LYS 13 Ca -0.12 2.04 -0.33 0.00 -1.01 0.00 0.00 55.97 56.55 1nmb s LYS 13 Cb -0.07 -3.14 -0.12 0.00 -1.01 0.00 0.00 37.83 33.49 1nmb s LYS 13 CO -0.00 -0.09 1.82 -0.35 0.51 0.00 0.00 175.35 177.24 1nmb n PRO 14 N 1.45 2.37 0.00 -1.68 -0.04 -1.26 -1.77 135.00 134.08 1nmb n PRO 14 Ca 0.01 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1nmb n PRO 14 Cb 0.43 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1nmb n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nmb n GLY 15 N 4.16 0.52 0.00 0.55 0.00 0.69 -4.94 105.19 106.18 1nmb n GLY 15 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1nmb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nmb n ALA 16 N -1.31 0.00 -2.38 4.61 0.00 -0.73 -4.24 120.51 116.46 1nmb n ALA 16 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1nmb n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1nmb n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nmb s SER 17 N -1.01 2.43 0.07 0.00 0.01 -1.26 -1.46 113.70 112.48 1nmb s SER 17 Ca 0.00 -1.16 -0.24 0.00 1.31 0.00 0.00 55.95 55.86 1nmb s SER 17 Cb 0.00 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1nmb s SER 17 CO 0.00 -0.36 0.57 0.54 0.41 0.00 0.00 173.24 174.40 1nmb s VAL 18 N -3.13 0.02 -0.10 3.43 0.11 -0.91 -4.97 120.40 114.85 1nmb s VAL 18 Ca 0.27 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1nmb s VAL 18 Cb 0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1nmb s VAL 18 CO 0.09 -0.07 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.43 1nmb s ARG 19 N -2.71 2.96 -0.44 1.54 0.52 -1.26 -0.94 118.95 118.63 1nmb s ARG 19 Ca -0.04 -0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 54.16 1nmb s ARG 19 Cb -0.00 -2.24 0.04 0.00 0.52 0.00 0.00 34.95 33.26 1nmb s ARG 19 CO -0.04 0.17 0.37 1.41 0.02 0.00 0.00 175.30 177.23 1nmb s MET 20 N 0.37 3.01 0.19 3.54 1.75 0.13 -4.92 119.30 123.36 1nmb s MET 20 Ca -0.19 -1.05 -0.30 0.00 -1.25 0.00 0.00 55.69 52.90 1nmb s MET 20 Cb -0.18 -4.03 -0.08 0.00 2.84 0.00 0.00 34.83 33.39 1nmb s MET 20 CO 0.09 -0.88 0.98 0.45 -0.65 0.00 0.00 175.02 175.01 1nmb s SER 21 N 2.02 7.52 -0.44 1.11 0.15 -1.26 -2.14 113.70 120.66 1nmb s SER 21 Ca 0.07 1.94 0.05 0.00 0.70 0.00 0.00 55.95 58.70 1nmb s SER 21 Cb -0.20 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.68 1nmb s SER 21 CO 0.10 0.02 0.44 0.00 1.20 0.00 0.00 173.24 175.00 1nmb s LYS 23 N 0.27 4.04 -0.16 0.00 2.20 -0.74 -1.22 119.74 124.14 1nmb s LYS 23 Ca 0.32 1.57 -0.06 0.00 -0.36 0.00 0.00 55.97 57.44 1nmb s LYS 23 Cb 0.03 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1nmb s LYS 23 CO -0.16 -0.96 0.06 0.00 -0.36 0.00 0.00 175.35 173.92 1nmb s ALA 24 N 4.15 3.43 -0.03 3.13 0.00 -0.81 0.03 121.76 131.67 1nmb s ALA 24 Ca 0.60 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1nmb s ALA 24 Cb -0.22 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1nmb s ALA 24 CO 0.21 0.29 0.08 -1.54 0.00 0.00 0.00 175.76 174.80 1nmb s SER 25 N 0.02 -0.06 0.00 0.00 1.04 0.53 -4.82 113.70 110.41 1nmb s SER 25 Ca 0.06 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1nmb s SER 25 Cb -0.12 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1nmb s SER 25 CO 0.01 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1nmb n GLY 26 N 2.86 1.43 2.85 7.32 0.00 -1.26 0.16 105.19 118.56 1nmb n GLY 26 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1nmb n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1nmb n TYR 27 N 0.00 -1.74 -2.19 1.61 4.11 -1.26 -3.89 117.16 113.80 1nmb n TYR 27 Ca 0.00 -1.63 -0.37 0.00 -0.00 0.00 0.00 57.90 55.90 1nmb n TYR 27 Cb 0.00 0.61 -0.03 0.00 -0.00 0.00 0.00 39.34 39.92 1nmb n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1nmb s THR 28 N -2.48 3.49 0.25 -3.48 2.01 -1.26 -4.86 115.64 109.31 1nmb s THR 28 Ca 0.17 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 1nmb s THR 28 Cb -0.03 -4.24 0.33 0.00 0.01 0.00 0.00 72.50 68.57 1nmb s THR 28 CO 0.12 -1.19 1.61 0.15 -0.69 0.00 0.00 174.62 174.62 1nmb h PHE 29 N 12.89 -0.27 0.00 4.92 3.57 -1.96 0.17 116.94 136.26 1nmb h PHE 29 Ca -0.17 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1nmb h PHE 29 Cb 1.10 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1nmb h PHE 29 CO 1.11 -0.32 0.00 -2.37 -2.23 0.00 0.00 178.31 174.50 1nmb n THR 30 N -5.47 1.65 0.76 4.41 5.66 -1.26 -3.19 114.28 116.85 1nmb n THR 30 Ca 0.13 0.53 0.11 0.00 -3.05 0.00 0.00 64.05 61.77 1nmb n THR 30 Cb 0.46 -1.51 -0.06 0.00 -1.55 0.00 0.00 70.33 67.67 1nmb n THR 30 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1nmb n ASN 31 N -1.71 0.72 -4.13 1.09 4.13 0.59 -2.57 115.26 113.38 1nmb n ASN 31 Ca -0.00 -0.61 -0.28 0.00 1.68 0.00 0.00 54.58 55.36 1nmb n ASN 31 Cb 0.03 1.03 -0.17 0.00 -1.54 0.00 0.00 39.78 39.13 1nmb n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1nmb s TYR 32 N -3.12 1.99 0.39 3.10 1.51 -1.19 -3.74 117.35 116.29 1nmb s TYR 32 Ca 0.05 -0.75 -0.26 0.00 -1.01 0.00 0.00 57.07 55.10 1nmb s TYR 32 Cb 0.16 -1.37 -0.11 0.00 -0.11 0.00 0.00 41.96 40.53 1nmb s TYR 32 CO 0.84 -0.31 1.30 0.09 -1.11 0.00 0.00 175.55 176.36 1nmb n ASN 33 N 3.55 2.74 -4.28 2.29 3.02 -0.64 -4.58 115.26 117.36 1nmb n ASN 33 Ca -0.20 1.15 -0.34 0.00 -0.03 0.00 0.00 54.58 55.15 1nmb n ASN 33 Cb 0.52 -1.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.04 1nmb n ASN 33 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1nmb s MET 34 N -2.11 3.30 0.33 3.52 -2.45 -0.27 -2.99 119.30 118.63 1nmb s MET 34 Ca 0.59 -0.68 0.07 0.00 -1.25 0.00 0.00 55.69 54.42 1nmb s MET 34 Cb -0.52 -2.84 -0.02 0.00 1.25 0.00 0.00 34.83 32.70 1nmb s MET 34 CO 0.60 -0.11 0.34 0.71 1.05 0.00 0.00 175.02 177.61 1nmb s TYR 35 N 1.20 2.97 0.02 4.11 2.02 0.83 -1.50 117.35 127.00 1nmb s TYR 35 Ca 0.02 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1nmb s TYR 35 Cb -0.14 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1nmb s TYR 35 CO -0.03 0.13 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.38 1nmb s TRP 36 N -2.26 1.08 -0.01 2.71 0.52 -1.12 -0.21 118.94 119.64 1nmb s TRP 36 Ca 0.42 -0.29 -0.03 0.00 0.02 0.00 0.00 56.10 56.22 1nmb s TRP 36 Cb -0.07 -0.66 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 1nmb s TRP 36 CO 0.28 0.00 0.06 0.14 0.02 0.00 0.00 176.95 177.45 1nmb s VAL 37 N -0.63 0.03 -0.13 4.03 -7.23 0.16 -1.04 120.40 115.58 1nmb s VAL 37 Ca 0.02 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 59.93 1nmb s VAL 37 Cb -0.06 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 1nmb s VAL 37 CO 0.00 -0.13 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.88 1nmb s LYS 38 N -0.37 3.45 -0.25 4.82 2.20 0.89 -0.21 119.74 130.27 1nmb s LYS 38 Ca -0.04 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1nmb s LYS 38 Cb -0.03 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.51 1nmb s LYS 38 CO 0.00 0.35 -0.07 -1.14 -0.36 0.00 0.00 175.35 174.13 1nmb s GLN 39 N 0.06 1.83 0.08 4.03 0.74 0.09 -0.20 119.66 126.30 1nmb s GLN 39 Ca -0.00 -1.14 0.04 0.00 0.05 0.00 0.00 55.36 54.31 1nmb s GLN 39 Cb -0.13 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 1nmb s GLN 39 CO 0.03 -0.60 -0.11 0.45 -0.55 0.00 0.00 175.29 174.51 1nmb s SER 40 N 1.28 1.44 0.33 6.67 0.15 -0.92 -1.98 113.70 120.67 1nmb s SER 40 Ca -0.06 -0.73 -0.29 0.00 0.70 0.00 0.00 55.95 55.57 1nmb s SER 40 Cb -0.19 -0.00 -0.11 0.00 -1.71 0.00 0.00 66.02 64.00 1nmb s SER 40 CO -0.06 -0.20 1.48 -2.16 1.20 0.00 0.00 173.24 173.50 1nmb s PRO 41 N -2.36 4.18 0.00 5.44 0.04 -1.26 -0.72 135.00 140.32 1nmb s PRO 41 Ca 0.01 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1nmb s PRO 41 Cb -0.06 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1nmb s PRO 41 CO 0.01 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1nmb n GLY 42 N 1.26 1.92 0.24 0.56 0.00 -1.26 -4.56 105.19 103.35 1nmb n GLY 42 Ca 0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1nmb n GLY 42 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nmb h GLN 43 N 0.00 0.83 0.00 1.61 1.08 -2.01 -3.49 115.11 113.13 1nmb h GLN 43 Ca 0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1nmb h GLN 43 Cb 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1nmb h GLN 43 CO 0.00 1.02 0.00 0.41 -0.95 0.00 0.00 178.83 179.31 1nmb n GLY 44 N 0.00 0.05 3.73 3.46 0.00 0.10 -4.89 105.19 107.64 1nmb n GLY 44 Ca -0.02 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1nmb n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nmb s LEU 45 N 0.00 4.48 -0.02 0.99 1.43 -1.26 -2.17 118.68 122.14 1nmb s LEU 45 Ca 0.00 1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1nmb s LEU 45 Cb 0.00 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.66 1nmb s LEU 45 CO 0.00 -0.09 0.04 -1.61 0.23 0.00 0.00 176.35 174.92 1nmb s GLU 46 N 0.11 -0.00 -0.06 1.70 2.02 0.73 -4.96 118.70 118.24 1nmb s GLU 46 Ca 0.47 0.14 -0.27 0.00 0.02 0.00 0.00 54.97 55.34 1nmb s GLU 46 Cb -0.23 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.84 1nmb s GLU 46 CO 0.30 -0.10 0.86 -0.46 0.02 0.00 0.00 175.26 175.88 1nmb s TRP 47 N 0.65 3.59 -0.19 1.61 -0.00 -1.26 -0.07 118.94 123.26 1nmb s TRP 47 Ca -0.05 1.47 -0.19 0.00 -0.00 0.00 0.00 56.10 57.33 1nmb s TRP 47 Cb -0.08 -3.00 -0.15 0.00 -0.00 0.00 0.00 33.47 30.24 1nmb s TRP 47 CO -0.02 -0.02 0.16 0.82 -0.00 0.00 0.00 176.95 177.88 1nmb h ILE 48 N 4.86 0.74 -0.99 5.86 2.04 -1.46 -3.40 117.51 125.17 1nmb h ILE 48 Ca -0.39 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1nmb h ILE 48 Cb 1.19 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1nmb h ILE 48 CO 0.77 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.78 1nmb n GLY 49 N 1.49 0.55 2.91 5.37 0.00 -1.26 0.15 105.19 114.41 1nmb n GLY 49 Ca -0.24 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1nmb n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nmb s ILE 50 N -2.08 -0.03 -0.18 -0.61 -1.16 0.08 -2.77 121.20 114.45 1nmb s ILE 50 Ca 0.00 0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.28 1nmb s ILE 50 Cb 0.00 -0.18 0.02 0.00 0.61 0.00 0.00 42.46 42.91 1nmb s ILE 50 CO 0.00 0.05 -0.20 0.12 -2.81 0.00 0.00 174.94 172.10 1nmb s PHE 51 N 0.78 2.74 -0.54 3.50 5.36 -0.56 -2.58 117.98 126.68 1nmb s PHE 51 Ca -0.06 -1.61 -0.13 0.00 -0.96 0.00 0.00 56.93 54.18 1nmb s PHE 51 Cb -0.08 -1.90 0.13 0.00 -0.34 0.00 0.00 43.02 40.84 1nmb s PHE 51 CO -0.03 -0.79 0.46 -0.47 -1.46 0.00 0.00 175.22 172.92 1nmb s TYR 52 N 1.26 3.36 0.57 10.12 5.04 -0.01 -1.12 117.35 136.57 1nmb s TYR 52 Ca 0.04 -1.61 0.30 0.00 -2.44 0.00 0.00 57.07 53.36 1nmb s TYR 52 Cb -0.13 -3.67 1.45 0.00 0.35 0.00 0.00 41.96 39.96 1nmb s TYR 52 CO -0.12 -1.00 1.84 -1.35 -1.34 0.00 0.00 175.55 173.58 1nmb h PRO 52 N 8.59 0.00 -0.63 4.97 0.11 -1.82 0.91 132.00 144.14 1nmb h PRO 52 Ca -0.23 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.04 1nmb h PRO 52 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1nmb h PRO 52 CO 0.94 0.00 0.44 0.78 -0.21 0.00 0.00 178.00 179.95 1nmb h GLY 53 N 0.00 0.20 -0.57 -0.55 0.00 -1.81 -3.33 103.07 97.01 1nmb h GLY 53 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1nmb h GLY 53 CO -0.00 0.02 -0.03 1.16 0.00 0.00 0.00 176.54 177.68 1nmb n ASN 54 N -4.40 0.00 0.00 0.19 6.94 -0.82 -5.04 115.26 112.12 1nmb n ASN 54 Ca 0.12 -1.06 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1nmb n ASN 54 Cb 0.62 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1nmb n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nmb n GLY 55 N 0.00 0.76 3.66 4.83 0.00 0.25 -5.01 105.19 109.69 1nmb n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1nmb n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nmb n ASP 56 N -0.03 2.18 -3.93 1.61 -0.08 -1.23 -4.67 116.55 110.39 1nmb n ASP 56 Ca 0.00 1.16 -0.10 0.00 -1.51 0.00 0.00 54.79 54.35 1nmb n ASP 56 Cb 0.02 -1.42 -0.10 0.00 2.34 0.00 0.00 41.12 41.95 1nmb n ASP 56 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1nmb s THR 57 N -1.13 0.11 -0.06 5.18 -4.23 -1.25 -0.83 115.64 113.44 1nmb s THR 57 Ca 0.58 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1nmb s THR 57 Cb -0.59 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 72.70 1nmb s THR 57 CO 0.60 -0.52 0.35 -0.44 -0.54 0.00 0.00 174.62 174.07 1nmb s SER 58 N -1.72 -0.29 0.18 3.99 0.01 -1.06 -4.96 113.70 109.84 1nmb s SER 58 Ca -0.11 0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.59 1nmb s SER 58 Cb -0.05 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1nmb s SER 58 CO -0.02 -0.33 -0.14 -0.31 0.41 0.00 0.00 173.24 172.85 1nmb s TYR 59 N -0.73 1.61 -0.20 2.43 1.51 -1.26 -0.74 117.35 119.98 1nmb s TYR 59 Ca -0.08 -0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 55.11 1nmb s TYR 59 Cb -0.04 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1nmb s TYR 59 CO 0.03 0.28 1.38 1.21 -1.11 0.00 0.00 175.55 177.34 1nmb s ASN 60 N -3.03 6.74 0.49 2.29 3.84 0.39 -4.85 114.94 120.81 1nmb s ASN 60 Ca 0.18 1.62 0.37 0.00 0.21 0.00 0.00 52.86 55.24 1nmb s ASN 60 Cb -0.02 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.69 1nmb s ASN 60 CO 0.05 -0.95 1.62 -0.61 -2.79 0.00 0.00 177.10 174.42 1nmb h GLN 61 N 9.09 0.04 0.00 0.43 4.15 -1.93 0.93 115.11 127.82 1nmb h GLN 61 Ca -0.29 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1nmb h GLN 61 Cb 1.12 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1nmb h GLN 61 CO 0.99 0.03 0.00 0.36 -1.93 0.00 0.00 178.83 178.28 1nmb n LYS 62 N -4.41 0.57 0.00 1.69 2.85 -1.26 -2.51 118.16 115.09 1nmb n LYS 62 Ca 0.39 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.67 1nmb n LYS 62 Cb 1.62 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 1nmb n LYS 62 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1nmb n PHE 63 N -1.09 0.00 0.51 5.58 3.72 0.32 -4.85 117.46 121.65 1nmb n PHE 63 Ca 0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1nmb n PHE 63 Cb 0.10 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1nmb n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1nmb n LYS 64 N -0.26 0.51 0.10 -1.08 4.81 -1.05 -2.42 118.16 118.78 1nmb n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nmb n LYS 64 Cb 0.33 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1nmb n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nmb n ASP 65 N 0.68 -0.52 -0.14 3.14 8.00 -1.26 -4.89 116.55 121.56 1nmb n ASP 65 Ca 0.00 0.35 0.13 0.00 0.71 0.00 0.00 54.79 55.98 1nmb n ASP 65 Cb 0.24 0.64 0.48 0.00 -0.02 0.00 0.00 41.12 42.46 1nmb n ASP 65 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nmb h LYS 66 N 0.00 0.46 -6.66 -1.24 1.79 -1.87 -3.43 116.57 105.62 1nmb h LYS 66 Ca 0.00 -0.03 -0.65 0.00 -2.18 0.00 0.00 60.65 57.79 1nmb h LYS 66 Cb 0.00 -0.10 -0.23 0.00 -1.58 0.00 0.00 32.23 30.32 1nmb h LYS 66 CO 0.00 0.30 -0.86 0.00 -1.08 0.00 0.00 179.45 177.81 1nmb s ALA 67 N -5.45 2.19 -0.23 3.86 0.00 -1.02 -4.00 121.76 117.11 1nmb s ALA 67 Ca -0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 1nmb s ALA 67 Cb 0.20 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.04 1nmb s ALA 67 CO 0.76 0.49 0.09 0.99 0.00 0.00 0.00 175.76 178.09 1nmb s THR 68 N -1.03 0.17 0.43 0.00 2.01 -1.00 -4.82 115.64 111.40 1nmb s THR 68 Ca 0.12 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 1nmb s THR 68 Cb -0.10 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.37 1nmb s THR 68 CO 0.05 -0.46 0.99 -0.76 -0.69 0.00 0.00 174.62 173.75 1nmb s LEU 69 N 2.00 3.98 0.21 4.42 1.02 -1.26 -2.56 118.68 126.49 1nmb s LEU 69 Ca 0.05 1.82 -0.22 0.00 0.02 0.00 0.00 54.13 55.79 1nmb s LEU 69 Cb -0.16 -4.45 0.06 0.00 0.02 0.00 0.00 46.19 41.66 1nmb s LEU 69 CO -0.20 -0.47 0.94 -0.89 0.02 0.00 0.00 176.35 175.76 1nmb s THR 70 N -2.00 0.00 -0.10 5.49 2.01 -1.14 -5.02 115.64 114.88 1nmb s THR 70 Ca 0.62 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1nmb s THR 70 Cb -0.14 -2.45 0.11 0.00 0.01 0.00 0.00 72.50 70.03 1nmb s THR 70 CO 0.18 0.00 0.88 0.00 -0.69 0.00 0.00 174.62 174.99 1nmb s ALA 71 N -2.79 -1.86 -0.36 7.40 0.00 -1.26 0.36 121.76 123.24 1nmb s ALA 71 Ca 0.16 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1nmb s ALA 71 Cb -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1nmb s ALA 71 CO 0.05 -0.38 0.21 0.34 0.00 0.00 0.00 175.76 175.98 1nmb s ASP 72 N -1.34 5.78 0.37 0.00 -1.08 0.52 -4.97 116.67 115.94 1nmb s ASP 72 Ca -0.04 -0.84 0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1nmb s ASP 72 Cb -0.00 -2.05 0.70 0.00 -1.46 0.00 0.00 42.92 40.11 1nmb s ASP 72 CO 0.02 -0.34 1.83 0.11 0.52 0.00 0.00 175.17 177.31 1nmb h LYS 73 N 8.45 0.11 -0.00 4.34 1.57 -1.96 -1.82 116.57 127.26 1nmb h LYS 73 Ca -0.28 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1nmb h LYS 73 Cb 1.12 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1nmb h LYS 73 CO 0.66 0.41 -0.00 0.66 -0.57 0.00 0.00 179.45 180.61 1nmb h SER 74 N 0.10 0.00 -0.03 0.86 4.64 -1.94 -2.97 113.55 114.21 1nmb h SER 74 Ca 0.01 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1nmb h SER 74 Cb 0.60 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1nmb h SER 74 CO 0.04 0.33 0.00 -1.54 -0.87 0.00 0.00 176.83 174.79 1nmb n SER 75 N -4.93 1.15 -2.38 4.97 3.41 -1.23 -4.94 113.62 109.66 1nmb n SER 75 Ca -0.08 -1.42 -0.21 0.00 -0.26 0.00 0.00 58.87 56.90 1nmb n SER 75 Cb 0.18 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1nmb n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nmb n ASN 76 N -0.09 -5.94 -4.64 4.04 5.03 -0.75 -4.81 115.26 108.10 1nmb n ASN 76 Ca 0.19 -0.01 -0.33 0.00 0.87 0.00 0.00 54.58 55.30 1nmb n ASN 76 Cb 0.29 -4.94 -0.10 0.00 -1.02 0.00 0.00 39.78 34.01 1nmb n ASN 76 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nmb s THR 77 N -3.04 3.93 0.21 3.41 -4.23 -0.80 -1.92 115.64 113.20 1nmb s THR 77 Ca 0.00 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 1nmb s THR 77 Cb 0.00 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1nmb s THR 77 CO 0.00 0.42 0.22 0.00 -0.54 0.00 0.00 174.62 174.72 1nmb s ALA 78 N -1.01 3.70 0.15 3.99 0.00 -0.35 -0.36 121.76 127.88 1nmb s ALA 78 Ca 0.17 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1nmb s ALA 78 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1nmb s ALA 78 CO 0.08 0.36 0.05 0.71 0.00 0.00 0.00 175.76 176.96 1nmb s TYR 79 N -1.94 0.98 -0.20 0.00 2.02 0.16 -1.67 117.35 116.71 1nmb s TYR 79 Ca 0.33 -1.19 -0.05 0.00 -0.37 0.00 0.00 57.07 55.78 1nmb s TYR 79 Cb -0.09 -0.55 0.10 0.00 -0.40 0.00 0.00 41.96 41.02 1nmb s TYR 79 CO 0.26 -0.45 0.39 1.41 -1.57 0.00 0.00 175.55 175.59 1nmb s MET 80 N -4.02 0.31 -0.22 -0.62 -2.45 -0.91 -2.89 119.30 108.49 1nmb s MET 80 Ca 0.25 0.86 -0.05 0.00 -1.25 0.00 0.00 55.69 55.50 1nmb s MET 80 Cb 0.07 0.06 -0.02 0.00 1.25 0.00 0.00 34.83 36.19 1nmb s MET 80 CO 0.03 -0.36 0.01 1.14 1.05 0.00 0.00 175.02 176.89 1nmb s GLN 81 N 2.57 3.56 0.15 4.11 1.03 -1.06 0.21 119.66 130.22 1nmb s GLN 81 Ca 0.03 -0.54 0.01 0.00 0.04 0.00 0.00 55.36 54.90 1nmb s GLN 81 Cb -0.13 -3.13 0.03 0.00 0.03 0.00 0.00 33.01 29.81 1nmb s GLN 81 CO -0.13 -0.10 0.20 1.28 -2.54 0.00 0.00 175.29 174.00 1nmb n LEU 82 N 4.59 0.00 -0.73 2.60 4.77 -0.12 -2.36 117.00 125.75 1nmb n LEU 82 Ca -0.17 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1nmb n LEU 82 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1nmb n LEU 82 CO 0.31 -0.58 0.00 -1.20 -1.33 0.00 0.00 177.39 174.59 1nmb n SER 82 N -2.92 0.00 -4.75 -1.43 7.64 -0.81 -2.15 113.62 109.20 1nmb n SER 82 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 1nmb n SER 82 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1nmb n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nmb n LEU 82 N -0.18 4.46 -4.46 -3.43 7.99 -0.54 -4.65 117.00 116.20 1nmb n LEU 82 Ca 0.00 1.18 -0.24 0.00 -0.01 0.00 0.00 56.01 56.95 1nmb n LEU 82 Cb 0.00 -1.60 -0.08 0.00 -0.11 0.00 0.00 43.42 41.63 1nmb n LEU 82 CO 0.00 0.11 -0.19 0.42 -1.51 0.00 0.00 177.39 176.22 1nmb s THR 83 N -0.53 0.53 0.18 -5.08 -4.23 -1.26 0.25 115.64 105.50 1nmb s THR 83 Ca 0.59 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1nmb s THR 83 Cb -0.50 -2.41 0.10 0.00 1.34 0.00 0.00 72.50 71.04 1nmb s THR 83 CO 0.56 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.64 1nmb h SER 84 N 1.89 0.05 0.00 3.99 0.02 -1.96 -0.83 113.55 116.71 1nmb h SER 84 Ca -0.34 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1nmb h SER 84 Cb 1.26 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1nmb h SER 84 CO 0.55 0.06 0.04 -0.62 -1.14 0.00 0.00 176.83 175.71 1nmb n GLU 85 N -5.08 0.12 0.14 3.45 1.02 -1.26 -1.22 120.64 117.82 1nmb n GLU 85 Ca 0.05 0.62 0.13 0.00 -0.02 0.00 0.00 57.16 57.94 1nmb n GLU 85 Cb 0.23 -1.95 0.42 0.00 -0.02 0.00 0.00 31.44 30.11 1nmb n GLU 85 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1nmb h ASP 86 N 0.00 0.00 -2.39 1.62 3.32 -1.54 -3.43 116.42 114.00 1nmb h ASP 86 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1nmb h ASP 86 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1nmb h ASP 86 CO 0.00 0.00 1.29 -0.44 -1.72 0.00 0.00 179.24 178.37 1nmb s SER 87 N -4.80 6.05 0.00 6.45 0.01 -0.36 -4.83 113.70 116.22 1nmb s SER 87 Ca 0.08 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1nmb s SER 87 Cb 0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1nmb s SER 87 CO 0.55 -1.47 0.00 0.00 0.41 0.00 0.00 173.24 172.73 1nmb n ALA 88 N 9.42 0.00 -3.93 1.44 0.00 -1.16 -4.92 120.51 121.36 1nmb n ALA 88 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1nmb n ALA 88 Cb 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 1nmb n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nmb s VAL 89 N -2.72 1.41 -0.19 0.00 1.01 -0.84 -1.39 120.40 117.69 1nmb s VAL 89 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1nmb s VAL 89 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1nmb s VAL 89 CO 0.00 0.43 0.09 -0.31 0.00 0.00 0.00 175.10 175.31 1nmb s TYR 90 N 1.46 3.33 0.02 5.22 1.51 0.43 -0.73 117.35 128.60 1nmb s TYR 90 Ca 0.03 0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1nmb s TYR 90 Cb -0.13 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1nmb s TYR 90 CO -0.09 0.24 -0.22 0.71 -1.11 0.00 0.00 175.55 175.08 1nmb s TYR 91 N 0.29 2.44 -0.06 2.71 1.51 0.70 -0.64 117.35 124.29 1nmb s TYR 91 Ca 0.06 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1nmb s TYR 91 Cb -0.12 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1nmb s TYR 91 CO -0.01 0.15 -0.12 0.00 -1.11 0.00 0.00 175.55 174.46 1nmb s ALA 93 N -0.65 0.15 0.08 0.00 0.00 0.70 -1.71 121.76 120.33 1nmb s ALA 93 Ca 0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1nmb s ALA 93 Cb -0.11 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1nmb s ALA 93 CO 0.01 -0.23 0.36 0.50 0.00 0.00 0.00 175.76 176.40 1nmb s ARG 94 N -2.15 3.66 -0.05 0.00 3.52 0.11 -0.12 118.95 123.93 1nmb s ARG 94 Ca -0.09 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.28 1nmb s ARG 94 Cb -0.05 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1nmb s ARG 94 CO -0.03 0.55 0.76 0.45 -0.81 0.00 0.00 175.30 176.22 1nmb s SER 95 N -1.97 7.07 0.27 -2.12 0.15 -1.16 -0.97 113.70 114.96 1nmb s SER 95 Ca 0.34 1.29 -0.04 0.00 0.70 0.00 0.00 55.95 58.25 1nmb s SER 95 Cb -0.13 -2.45 0.35 0.00 -1.71 0.00 0.00 66.02 62.09 1nmb s SER 95 CO 0.20 -0.14 1.90 1.23 1.20 0.00 0.00 173.24 177.63 1nmb h GLY 96 N 6.72 1.17 -0.54 9.45 0.00 -1.03 -1.52 103.07 117.31 1nmb h GLY 96 Ca -0.41 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1nmb h GLY 96 CO 0.75 0.50 0.00 0.61 0.00 0.00 0.00 176.54 178.40 1nmb n GLY 97 N -1.19 -0.21 6.96 4.60 0.00 0.10 -4.98 105.19 110.46 1nmb n GLY 97 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nmb n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nmb n SER 98 N -0.12 0.00 0.18 1.61 3.41 -0.57 -1.99 113.62 116.13 1nmb n SER 98 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 1nmb n SER 98 Cb 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1nmb n SER 98 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1nmb h TYR 99 N 0.00 0.00 -4.32 7.33 -0.00 -1.90 -1.69 116.97 116.39 1nmb h TYR 99 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 58.73 58.24 1nmb h TYR 99 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 36.73 36.84 1nmb h TYR 99 CO 0.00 0.00 0.35 1.03 -0.00 0.00 0.00 178.16 179.54 1nmb s ARG 100 N -3.27 2.17 -0.67 0.10 0.52 -0.84 -4.84 118.95 112.12 1nmb s ARG 100 Ca 0.04 0.60 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 1nmb s ARG 100 Cb 0.07 -1.93 0.37 0.00 0.52 0.00 0.00 34.95 33.97 1nmb s ARG 100 CO 0.72 -1.55 1.38 0.66 0.02 0.00 0.00 175.30 176.52 1nmb n TYR 100 N -3.38 3.40 -3.35 -0.53 4.02 -1.26 -4.49 117.16 111.57 1nmb n TYR 100 Ca 0.07 -3.11 -0.10 0.00 -0.01 0.00 0.00 57.90 54.75 1nmb n TYR 100 Cb 0.56 -0.62 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 1nmb n TYR 100 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1nmb s ASP 100 N -2.64 0.42 1.17 7.72 1.47 -1.26 -5.07 116.67 118.49 1nmb s ASP 100 Ca 0.48 0.03 -0.11 0.00 1.18 0.00 0.00 52.55 54.13 1nmb s ASP 100 Cb 0.34 1.03 0.17 0.00 -0.34 0.00 0.00 42.92 44.12 1nmb s ASP 100 CO -0.21 -0.32 0.38 0.61 0.68 0.00 0.00 175.17 176.31 1nmb n GLY 100 N 5.36 -3.62 3.39 2.12 0.00 -1.26 -0.72 105.19 110.46 1nmb n GLY 100 Ca -0.03 -1.18 -0.45 0.00 0.00 0.00 0.00 46.02 44.36 1nmb n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nmb s PHE 100 N -1.47 3.20 0.47 1.61 0.40 -1.26 -0.62 117.98 120.30 1nmb s PHE 100 Ca 0.29 -1.32 0.23 0.00 -0.60 0.00 0.00 56.93 55.53 1nmb s PHE 100 Cb -0.05 -4.07 1.38 0.00 0.51 0.00 0.00 43.02 40.78 1nmb s PHE 100 CO 0.25 -1.30 2.09 0.38 0.70 0.00 0.00 175.22 177.33 1nmb h ASP 101 N 8.76 0.00 -3.66 1.36 3.04 -1.35 -3.43 116.42 121.14 1nmb h ASP 101 Ca -0.05 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.50 1nmb h ASP 101 Cb 1.05 0.00 -0.29 0.00 -1.04 0.00 0.00 39.33 39.05 1nmb h ASP 101 CO 1.03 0.11 -0.66 -0.31 -2.04 0.00 0.00 179.24 177.36 1nmb s TYR 102 N -4.48 -0.06 0.12 4.15 2.02 -1.20 -4.99 117.35 112.91 1nmb s TYR 102 Ca -0.04 0.20 0.10 0.00 -0.37 0.00 0.00 57.07 56.96 1nmb s TYR 102 Cb 0.15 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 1nmb s TYR 102 CO 0.62 -0.06 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.71 1nmb s TRP 103 N 0.40 2.37 0.88 2.71 0.52 -1.26 0.09 118.94 124.66 1nmb s TRP 103 Ca -0.03 -0.35 -0.15 0.00 0.02 0.00 0.00 56.10 55.59 1nmb s TRP 103 Cb -0.04 -1.28 0.21 0.00 -1.15 0.00 0.00 33.47 31.20 1nmb s TRP 103 CO -0.01 0.34 1.12 0.41 0.02 0.00 0.00 176.95 178.83 1nmb n GLY 104 N 0.92 -1.68 0.16 0.98 0.00 -0.69 -4.55 105.19 100.33 1nmb n GLY 104 Ca -0.17 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1nmb n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1nmb h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.83 -3.47 115.11 114.49 1nmb h GLN 105 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1nmb h GLN 105 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 1nmb h GLN 105 CO 0.26 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.59 1nmb n GLY 106 N 1.19 1.94 3.40 0.06 0.00 -1.26 -5.04 105.19 105.47 1nmb n GLY 106 Ca 0.04 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1nmb n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nmb s THR 107 N -0.50 3.44 -0.31 2.61 2.01 0.18 -4.53 115.64 118.54 1nmb s THR 107 Ca 0.00 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1nmb s THR 107 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1nmb s THR 107 CO 0.00 0.48 0.44 -0.89 -0.69 0.00 0.00 174.62 173.96 1nmb s THR 108 N 0.68 5.10 -0.06 -0.82 2.01 -0.55 -0.43 115.64 121.58 1nmb s THR 108 Ca -0.04 0.45 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 1nmb s THR 108 Cb -0.15 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1nmb s THR 108 CO 0.02 -0.03 0.36 -0.22 -0.69 0.00 0.00 174.62 174.06 1nmb s LEU 109 N 2.21 4.40 -0.04 4.42 2.96 -0.49 -0.89 118.68 131.25 1nmb s LEU 109 Ca 0.17 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 1nmb s LEU 109 Cb -0.16 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1nmb s LEU 109 CO 0.11 0.26 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.34 1nmb s THR 110 N -0.58 1.43 -0.22 3.68 2.01 0.44 -2.98 115.64 119.42 1nmb s THR 110 Ca 0.21 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1nmb s THR 110 Cb -0.15 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.15 1nmb s THR 110 CO 0.10 0.41 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 1nmb s VAL 111 N 0.05 2.74 0.18 3.82 1.01 -1.26 -1.55 120.40 125.38 1nmb s VAL 111 Ca -0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1nmb s VAL 111 Cb -0.12 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1nmb s VAL 111 CO 0.02 0.37 0.47 -0.24 0.00 0.00 0.00 175.10 175.72 1nmb n SER 112 N 4.68 -1.14 0.00 3.32 2.88 -1.19 -4.83 113.62 117.34 1nmb n SER 112 Ca -0.18 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.62 1nmb n SER 112 Cb 0.49 1.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.84 1nmb n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61