#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjc s GLN 3 N 0.00 4.05 -1.71 5.55 -0.21 -1.26 -3.18 119.66 122.91 1rjc s GLN 3 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.06 1rjc s GLN 3 Cb 0.00 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1rjc s GLN 3 CO 0.00 -0.96 0.00 1.28 -2.12 0.00 0.00 175.29 173.49 1rjc n LEU 4 N 7.35 -1.74 -4.60 2.90 4.77 -0.49 -4.72 117.00 120.47 1rjc n LEU 4 Ca 0.16 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 1rjc n LEU 4 Cb 0.45 -2.68 -0.05 0.00 -2.33 0.00 0.00 43.42 38.80 1rjc n LEU 4 CO 0.61 -0.40 0.56 -1.10 -1.33 0.00 0.00 177.39 175.73 1rjc s GLN 5 N -4.60 3.84 0.29 3.23 -1.52 -1.19 -3.09 119.66 116.62 1rjc s GLN 5 Ca 0.00 0.40 -0.25 0.00 -1.95 0.00 0.00 55.36 53.56 1rjc s GLN 5 Cb 0.00 -3.77 -0.09 0.00 -0.22 0.00 0.00 33.01 28.92 1rjc s GLN 5 CO 0.00 -0.76 0.90 0.00 -0.25 0.00 0.00 175.29 175.18 1rjc s ALA 6 N 2.99 3.26 0.21 6.09 0.00 -0.63 -4.20 121.76 129.49 1rjc s ALA 6 Ca 0.31 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1rjc s ALA 6 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1rjc s ALA 6 CO 0.15 0.21 0.47 -1.54 0.00 0.00 0.00 175.76 175.05 1rjc s SER 7 N -1.57 -0.14 0.00 0.00 1.04 -0.68 -4.36 113.70 107.99 1rjc s SER 7 Ca 0.48 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1rjc s SER 7 Cb -0.19 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1rjc s SER 7 CO 0.24 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1rjc n GLY 8 N -0.34 0.80 3.51 7.32 0.00 -1.26 -0.79 105.19 114.43 1rjc n GLY 8 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1rjc n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjc s GLY 9 N -1.72 1.52 0.00 -0.02 0.00 -1.26 -4.40 107.32 101.43 1rjc s GLY 9 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1rjc s GLY 9 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1rjc n GLY 10 N 0.22 0.09 3.30 0.20 0.00 0.02 -4.94 105.19 104.08 1rjc n GLY 10 Ca 0.06 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1rjc n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rjc s SER 11 N 0.00 5.16 0.26 1.61 0.15 -1.26 -0.62 113.70 119.00 1rjc s SER 11 Ca 0.00 -0.94 0.02 0.00 0.70 0.00 0.00 55.95 55.73 1rjc s SER 11 Cb 0.00 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1rjc s SER 11 CO 0.00 -0.25 0.13 -0.69 1.20 0.00 0.00 173.24 173.62 1rjc s VAL 12 N 1.44 0.37 0.36 4.45 1.01 0.26 -4.98 120.40 123.30 1rjc s VAL 12 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 59.81 1rjc s VAL 12 Cb -0.18 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 1rjc s VAL 12 CO 0.02 0.00 0.82 -1.10 0.00 0.00 0.00 175.10 174.84 1rjc s GLN 13 N -3.98 4.11 0.47 2.72 1.11 -1.26 -1.62 119.66 121.21 1rjc s GLN 13 Ca 0.37 0.86 -0.24 0.00 0.01 0.00 0.00 55.36 56.37 1rjc s GLN 13 Cb 0.07 -2.35 -0.08 0.00 -1.01 0.00 0.00 33.01 29.64 1rjc s GLN 13 CO 0.15 0.09 1.26 0.00 0.01 0.00 0.00 175.29 176.80 1rjc n ALA 14 N -0.43 1.26 0.00 6.09 0.00 0.11 -2.49 120.51 125.05 1rjc n ALA 14 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1rjc n ALA 14 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1rjc n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rjc n GLY 15 N 0.84 3.16 3.93 0.00 0.00 0.42 -4.94 105.19 108.60 1rjc n GLY 15 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1rjc n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rjc s GLN 16 N -0.52 1.25 0.31 1.61 -1.52 -1.04 -4.02 119.66 115.74 1rjc s GLN 16 Ca 0.00 -0.27 0.10 0.00 -1.95 0.00 0.00 55.36 53.24 1rjc s GLN 16 Cb 0.00 -1.94 -0.06 0.00 -0.22 0.00 0.00 33.01 30.80 1rjc s GLN 16 CO 0.00 -2.00 -0.13 0.45 -0.25 0.00 0.00 175.29 173.36 1rjc s SER 17 N -4.75 3.52 0.03 5.90 0.15 -1.26 -1.33 113.70 115.95 1rjc s SER 17 Ca 0.69 -1.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.11 1rjc s SER 17 Cb -0.07 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1rjc s SER 17 CO 0.51 -0.13 0.20 -0.76 1.20 0.00 0.00 173.24 174.25 1rjc s LEU 18 N -3.54 1.35 -0.23 3.45 1.43 -0.32 -5.02 118.68 115.80 1rjc s LEU 18 Ca 0.31 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1rjc s LEU 18 Cb -0.00 0.94 0.06 0.00 0.03 0.00 0.00 46.19 47.22 1rjc s LEU 18 CO 0.15 -0.51 0.00 -0.60 0.23 0.00 0.00 176.35 175.62 1rjc s ARG 19 N -2.20 1.10 0.32 1.70 3.52 -1.26 -0.12 118.95 122.01 1rjc s ARG 19 Ca -0.08 -0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 54.65 1rjc s ARG 19 Cb -0.03 -2.33 -0.08 0.00 -1.56 0.00 0.00 34.95 30.96 1rjc s ARG 19 CO -0.02 -0.66 0.69 -0.51 -0.81 0.00 0.00 175.30 173.99 1rjc s LEU 20 N 1.62 4.02 0.06 -0.88 1.43 -0.49 -4.50 118.68 119.94 1rjc s LEU 20 Ca -0.02 1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1rjc s LEU 20 Cb -0.18 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1rjc s LEU 20 CO -0.09 -0.23 0.08 -0.55 0.23 0.00 0.00 176.35 175.79 1rjc s SER 21 N -2.59 0.27 -0.17 2.29 0.15 0.03 -1.48 113.70 112.19 1rjc s SER 21 Ca 0.51 -0.74 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 1rjc s SER 21 Cb -0.10 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1rjc s SER 21 CO 0.23 -0.61 0.45 0.00 1.20 0.00 0.00 173.24 174.51 1rjc s ALA 23 N 0.39 3.39 0.27 0.00 0.00 -1.26 -0.64 121.76 123.90 1rjc s ALA 23 Ca -0.01 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1rjc s ALA 23 Cb -0.04 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1rjc s ALA 23 CO -0.01 0.31 0.06 0.95 0.00 0.00 0.00 175.76 177.07 1rjc s THR 24 N -1.52 0.80 -0.14 0.00 -4.23 0.14 -1.40 115.64 109.29 1rjc s THR 24 Ca 0.43 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.13 1rjc s THR 24 Cb -0.17 -2.60 0.39 0.00 1.34 0.00 0.00 72.50 71.46 1rjc s THR 24 CO 0.21 -0.08 1.18 -1.54 -0.54 0.00 0.00 174.62 173.85 1rjc n SER 25 N -0.50 0.54 0.00 3.99 3.41 -1.26 -4.65 113.62 115.14 1rjc n SER 25 Ca -0.02 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1rjc n SER 25 Cb 0.66 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1rjc n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjc n ALA 27 N -0.25 0.63 1.11 7.33 0.00 -1.26 -4.84 120.51 123.24 1rjc n ALA 27 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1rjc n ALA 27 Cb 0.92 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.63 1rjc n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjc n THR 28 N -1.32 0.00 -0.12 0.00 -2.24 -1.26 -3.01 114.28 106.33 1rjc n THR 28 Ca 0.00 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1rjc n THR 28 Cb 0.00 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 1rjc n THR 28 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rjc n SER 29 N -1.03 2.13 -0.22 3.42 3.41 -1.26 -4.61 113.62 115.47 1rjc n SER 29 Ca 0.09 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1rjc n SER 29 Cb 0.35 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1rjc n SER 29 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rjc n SER 30 N -3.22 1.38 -4.08 4.04 3.41 -1.26 -4.80 113.62 109.08 1rjc n SER 30 Ca -0.43 -1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 56.96 1rjc n SER 30 Cb 0.95 0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 65.46 1rjc n SER 30 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rjc s SER 31 N -2.75 0.62 -0.17 4.04 0.01 -1.16 -1.39 113.70 112.90 1rjc s SER 31 Ca 0.14 -0.83 0.12 0.00 1.31 0.00 0.00 55.95 56.69 1rjc s SER 31 Cb 0.17 0.13 -0.19 0.00 0.21 0.00 0.00 66.02 66.34 1rjc s SER 31 CO 0.71 -0.45 0.01 0.59 0.41 0.00 0.00 173.24 174.51 1rjc n ASN 32 N 0.59 1.20 -4.01 2.44 3.02 -1.26 -4.49 115.26 112.75 1rjc n ASN 32 Ca -0.17 -0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.22 1rjc n ASN 32 Cb 0.59 0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 40.32 1rjc n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjc s MET 34 N -0.96 0.52 0.08 0.00 -1.94 -0.78 -1.95 119.30 114.27 1rjc s MET 34 Ca -0.05 -0.77 -0.06 0.00 -1.71 0.00 0.00 55.69 53.10 1rjc s MET 34 Cb -0.07 -0.26 0.02 0.00 2.01 0.00 0.00 34.83 36.54 1rjc s MET 34 CO 0.00 0.04 0.29 0.41 -0.01 0.00 0.00 175.02 175.75 1rjc n GLY 35 N 1.41 1.29 3.07 -0.03 0.00 -0.04 -0.41 105.19 110.50 1rjc n GLY 35 Ca -0.22 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1rjc n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1rjc s TRP 36 N -5.54 1.28 0.12 1.61 0.52 -0.27 0.38 118.94 117.03 1rjc s TRP 36 Ca 0.06 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.91 1rjc s TRP 36 Cb -0.01 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1rjc s TRP 36 CO 0.02 -0.10 -0.10 -0.59 0.02 0.00 0.00 176.95 176.21 1rjc s PHE 37 N -0.01 1.13 0.21 -1.98 -0.12 -0.46 -1.46 117.98 115.29 1rjc s PHE 37 Ca -0.01 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.19 1rjc s PHE 37 Cb -0.09 -0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 41.65 1rjc s PHE 37 CO 0.01 0.02 -0.07 -0.98 -0.05 0.00 0.00 175.22 174.14 1rjc s ARG 38 N -3.32 1.28 -0.18 1.99 1.70 -0.14 -0.83 118.95 119.45 1rjc s ARG 38 Ca 0.11 -1.60 -0.11 0.00 -0.47 0.00 0.00 55.73 53.65 1rjc s ARG 38 Cb 0.00 -0.82 0.06 0.00 -0.57 0.00 0.00 34.95 33.62 1rjc s ARG 38 CO -0.00 0.04 0.44 -1.14 -1.08 0.00 0.00 175.30 173.55 1rjc s GLN 39 N -3.76 0.44 0.09 3.89 0.74 -0.03 -0.17 119.66 120.88 1rjc s GLN 39 Ca 0.24 0.77 -0.01 0.00 0.05 0.00 0.00 55.36 56.41 1rjc s GLN 39 Cb 0.03 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1rjc s GLN 39 CO 0.06 -0.13 0.26 0.00 -0.55 0.00 0.00 175.29 174.93 1rjc s ALA 40 N 1.11 3.96 -0.21 1.58 0.00 -1.26 -1.09 121.76 125.84 1rjc s ALA 40 Ca -0.07 -0.81 -0.41 0.00 0.00 0.00 0.00 51.96 50.67 1rjc s ALA 40 Cb -0.07 -1.89 -0.18 0.00 0.00 0.00 0.00 23.12 20.99 1rjc s ALA 40 CO -0.10 0.75 1.52 -2.30 0.00 0.00 0.00 175.76 175.63 1rjc n PRO 41 N 0.10 0.70 -0.94 0.00 -0.02 -1.26 -0.20 135.00 133.38 1rjc n PRO 41 Ca -0.05 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1rjc n PRO 41 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1rjc n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjc n GLY 42 N 3.39 0.37 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.23 1rjc n GLY 42 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1rjc n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjc s LYS 43 N -0.71 2.43 0.59 1.61 1.02 0.71 -5.12 119.74 120.27 1rjc s LYS 43 Ca 0.00 -1.53 -0.13 0.00 0.02 0.00 0.00 55.97 54.33 1rjc s LYS 43 Cb 0.00 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1rjc s LYS 43 CO 0.00 0.06 1.02 -1.83 -0.92 0.00 0.00 175.35 173.68 1rjc s GLU 44 N -3.90 3.65 0.38 1.68 4.04 -1.26 -4.56 118.70 118.73 1rjc s GLU 44 Ca 0.39 0.87 -0.27 0.00 0.04 0.00 0.00 54.97 56.00 1rjc s GLU 44 Cb -0.03 -2.09 -0.09 0.00 0.02 0.00 0.00 34.13 31.94 1rjc s GLU 44 CO 0.24 -0.52 1.33 1.03 -1.84 0.00 0.00 175.26 175.49 1rjc s ARG 45 N -4.70 4.10 -0.12 -4.83 0.52 -1.26 -4.58 118.95 108.08 1rjc s ARG 45 Ca 0.57 2.23 0.02 0.00 -0.52 0.00 0.00 55.73 58.03 1rjc s ARG 45 Cb -0.11 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.49 1rjc s ARG 45 CO 0.45 -0.41 -0.19 -1.21 0.02 0.00 0.00 175.30 173.97 1rjc s GLU 46 N -2.08 2.61 0.30 3.54 8.01 0.76 -4.87 118.70 126.97 1rjc s GLU 46 Ca 0.54 -0.70 -0.29 0.00 0.01 0.00 0.00 54.97 54.52 1rjc s GLU 46 Cb -0.40 -2.16 -0.10 0.00 -4.31 0.00 0.00 34.13 27.17 1rjc s GLU 46 CO 0.52 -0.04 1.27 0.20 0.01 0.00 0.00 175.26 177.22 1rjc s GLY 47 N 0.91 2.90 -0.03 -1.39 0.00 -1.26 -0.97 107.32 107.48 1rjc s GLY 47 Ca -0.07 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.79 1rjc s GLY 47 CO -0.02 1.87 -0.06 -0.62 0.00 0.00 0.00 173.10 174.26 1rjc n VAL 48 N 1.24 0.51 -3.69 1.40 0.31 -0.54 -4.60 118.33 112.96 1rjc n VAL 48 Ca 0.01 0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1rjc n VAL 48 Cb 0.42 -1.60 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 1rjc n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rjc s ALA 49 N -2.11 -0.96 0.01 3.52 0.00 -1.07 -1.68 121.76 119.47 1rjc s ALA 49 Ca -0.07 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 1rjc s ALA 49 Cb 0.02 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1rjc s ALA 49 CO 0.09 -0.41 0.17 0.54 0.00 0.00 0.00 175.76 176.15 1rjc s VAL 50 N -2.23 0.09 0.00 0.00 0.11 -0.60 -1.12 120.40 116.66 1rjc s VAL 50 Ca -0.07 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1rjc s VAL 50 Cb -0.01 -0.58 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1rjc s VAL 50 CO -0.01 -0.40 -0.01 -0.51 -3.33 0.00 0.00 175.10 170.85 1rjc s ILE 51 N -1.66 0.04 -0.40 7.04 2.07 0.46 -1.91 121.20 126.84 1rjc s ILE 51 Ca -0.12 -0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 58.77 1rjc s ILE 51 Cb -0.06 -0.06 0.02 0.00 0.13 0.00 0.00 42.46 42.50 1rjc s ILE 51 CO 0.01 -0.02 0.98 -0.62 -1.91 0.00 0.00 174.94 173.37 1rjc s ASP 52 N -0.10 6.66 0.46 4.50 -1.08 0.27 -1.87 116.67 125.50 1rjc s ASP 52 Ca -0.01 0.52 0.21 0.00 -0.52 0.00 0.00 52.55 52.75 1rjc s ASP 52 Cb -0.01 -2.48 1.21 0.00 -1.46 0.00 0.00 42.92 40.17 1rjc s ASP 52 CO -0.00 -0.97 1.90 0.71 0.52 0.00 0.00 175.17 177.33 1rjc h THR 53 N 5.94 0.68 0.07 1.71 1.35 -1.63 0.27 112.91 121.30 1rjc h THR 53 Ca -0.23 -0.09 -0.25 0.00 -0.55 0.00 0.00 66.41 65.28 1rjc h THR 53 Cb 1.07 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1rjc h THR 53 CO 1.02 0.05 -1.35 1.23 -0.25 0.00 0.00 175.52 176.22 1rjc h GLY 54 N 0.26 0.17 1.04 5.82 0.00 -1.88 -3.41 103.07 105.08 1rjc h GLY 54 Ca 0.41 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 47.05 1rjc h GLY 54 CO -0.10 0.39 -1.56 3.21 0.00 0.00 0.00 176.54 178.48 1rjc h ARG 55 N -0.52 0.00 0.00 4.80 3.08 -1.92 -3.48 114.38 116.34 1rjc h ARG 55 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1rjc h ARG 55 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1rjc h ARG 55 CO -0.03 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.73 1rjc n GLY 56 N 1.49 0.82 3.76 0.04 0.00 0.94 -5.02 105.19 107.22 1rjc n GLY 56 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1rjc n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rjc s ASN 57 N -2.98 5.90 0.26 1.61 0.01 -1.26 -4.66 114.94 113.82 1rjc s ASN 57 Ca 0.00 2.60 0.06 0.00 -0.71 0.00 0.00 52.86 54.81 1rjc s ASN 57 Cb 0.00 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1rjc s ASN 57 CO 0.00 -1.13 -0.06 0.42 -1.51 0.00 0.00 177.10 174.82 1rjc s THR 58 N -1.36 1.56 -0.03 1.60 -4.23 -1.26 -0.57 115.64 111.35 1rjc s THR 58 Ca 0.64 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1rjc s THR 58 Cb -0.36 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1rjc s THR 58 CO 0.45 -0.36 0.33 0.00 -0.54 0.00 0.00 174.62 174.50 1rjc s ALA 59 N -3.07 -0.84 0.10 3.99 0.00 -0.80 -5.01 121.76 116.13 1rjc s ALA 59 Ca 0.28 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1rjc s ALA 59 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1rjc s ALA 59 CO 0.10 -0.25 -0.07 0.71 0.00 0.00 0.00 175.76 176.26 1rjc s TYR 60 N -1.10 0.90 0.47 0.00 2.02 -1.26 -1.55 117.35 116.83 1rjc s TYR 60 Ca -0.11 -0.91 -0.20 0.00 -0.37 0.00 0.00 57.07 55.48 1rjc s TYR 60 Cb -0.05 -0.52 -0.09 0.00 -0.40 0.00 0.00 41.96 40.90 1rjc s TYR 60 CO 0.04 -0.14 0.99 0.00 -1.57 0.00 0.00 175.55 174.87 1rjc s ALA 61 N -3.59 2.96 0.36 3.71 0.00 -0.68 -4.89 121.76 119.63 1rjc s ALA 61 Ca 0.12 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1rjc s ALA 61 Cb 0.05 -3.19 0.78 0.00 0.00 0.00 0.00 23.12 20.76 1rjc s ALA 61 CO -0.05 -0.13 1.91 -0.44 0.00 0.00 0.00 175.76 177.05 1rjc h ASP 62 N 1.59 0.66 0.23 0.00 3.45 -1.93 -2.18 116.42 118.24 1rjc h ASP 62 Ca -0.49 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 56.98 1rjc h ASP 62 Cb 1.20 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.85 1rjc h ASP 62 CO 0.60 0.38 -0.05 0.77 -1.57 0.00 0.00 179.24 179.37 1rjc h SER 63 N 0.72 0.00 -0.00 6.45 4.64 -1.96 -3.10 113.55 120.29 1rjc h SER 63 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1rjc h SER 63 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rjc h SER 63 CO -0.15 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.18 1rjc n VAL 64 N -3.50 0.10 -1.67 0.95 0.24 -0.87 -5.00 118.33 108.58 1rjc n VAL 64 Ca -0.02 -0.55 -0.47 0.00 -2.04 0.00 0.00 64.34 61.25 1rjc n VAL 64 Cb 0.16 0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 33.45 1rjc n VAL 64 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1rjc n GLN 65 N -0.00 2.07 0.00 7.34 -0.06 -0.89 -1.41 117.38 124.42 1rjc n GLN 65 Ca 0.01 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 55.76 1rjc n GLN 65 Cb 0.05 -2.54 0.00 0.00 -4.06 0.00 0.00 30.24 23.69 1rjc n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rjc n GLY 66 N 3.71 1.99 0.05 1.69 0.00 -1.26 -4.81 105.19 106.57 1rjc n GLY 66 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1rjc n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjc n ARG 67 N -2.00 0.58 -4.12 1.61 1.74 -0.50 -5.01 116.66 108.95 1rjc n ARG 67 Ca 0.00 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1rjc n ARG 67 Cb 0.00 -1.19 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1rjc n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjc s LEU 68 N -5.42 3.80 -0.06 0.55 1.43 -0.80 -1.64 118.68 116.53 1rjc s LEU 68 Ca -0.12 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1rjc s LEU 68 Cb 0.03 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1rjc s LEU 68 CO 0.23 0.25 -0.03 -0.89 0.23 0.00 0.00 176.35 176.14 1rjc s THR 69 N -1.22 0.50 -0.15 5.49 2.01 -0.43 -4.87 115.64 116.95 1rjc s THR 69 Ca 0.24 -0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 1rjc s THR 69 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1rjc s THR 69 CO 0.15 0.25 0.11 -0.51 -0.69 0.00 0.00 174.62 173.93 1rjc s ILE 70 N 1.39 5.26 0.05 1.82 2.07 -1.26 -1.15 121.20 129.38 1rjc s ILE 70 Ca -0.04 0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.25 1rjc s ILE 70 Cb -0.13 -3.33 -0.00 0.00 0.13 0.00 0.00 42.46 39.12 1rjc s ILE 70 CO -0.03 0.54 0.15 -0.94 -1.91 0.00 0.00 174.94 172.75 1rjc s SER 71 N -0.36 0.11 -0.19 4.50 1.04 -0.96 -4.99 113.70 112.85 1rjc s SER 71 Ca 0.11 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1rjc s SER 71 Cb -0.12 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.32 1rjc s SER 71 CO 0.01 -0.56 -0.09 -0.22 0.98 0.00 0.00 173.24 173.36 1rjc s LEU 72 N -2.23 2.04 -1.10 2.42 2.96 -1.26 -1.18 118.68 120.33 1rjc s LEU 72 Ca -0.03 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.03 1rjc s LEU 72 Cb -0.00 -1.12 0.29 0.00 0.50 0.00 0.00 46.19 45.86 1rjc s LEU 72 CO -0.05 -0.16 1.62 0.47 -1.32 0.00 0.00 176.35 176.91 1rjc n ASP 73 N 4.75 6.55 -4.53 3.68 9.92 -0.17 -4.98 116.55 131.77 1rjc n ASP 73 Ca -0.14 -3.44 -0.25 0.00 -0.53 0.00 0.00 54.79 50.44 1rjc n ASP 73 Cb 0.47 -1.27 -0.13 0.00 -0.64 0.00 0.00 41.12 39.55 1rjc n ASP 73 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1rjc n ASN 74 N 1.28 0.61 -3.62 -2.24 5.15 -1.26 -2.74 115.26 112.45 1rjc n ASN 74 Ca 0.32 -0.75 -0.27 0.00 -0.60 0.00 0.00 54.58 53.28 1rjc n ASN 74 Cb 0.32 -1.17 -0.11 0.00 -0.53 0.00 0.00 39.78 38.29 1rjc n ASN 74 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1rjc n ASN 77 N 12.73 1.23 -3.89 1.20 2.85 -1.26 -5.07 115.26 123.05 1rjc n ASN 77 Ca 0.55 -2.79 -0.15 0.00 -0.11 0.00 0.00 54.58 52.08 1rjc n ASN 77 Cb 0.29 -0.65 -0.15 0.00 1.24 0.00 0.00 39.78 40.51 1rjc n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1rjc s THR 78 N -0.72 0.23 -0.16 -0.44 2.01 -1.11 -0.69 115.64 114.76 1rjc s THR 78 Ca 0.29 -0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 1rjc s THR 78 Cb 0.01 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1rjc s THR 78 CO -0.18 0.10 0.04 -0.22 -0.69 0.00 0.00 174.62 173.67 1rjc s LEU 79 N 0.29 3.73 0.17 4.42 2.96 0.18 -1.00 118.68 129.43 1rjc s LEU 79 Ca -0.03 0.08 0.11 0.00 -0.22 0.00 0.00 54.13 54.07 1rjc s LEU 79 Cb -0.06 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1rjc s LEU 79 CO -0.01 0.21 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.68 1rjc s TYR 80 N 0.12 2.31 -0.31 5.38 2.02 -0.32 -1.40 117.35 125.14 1rjc s TYR 80 Ca 0.04 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1rjc s TYR 80 Cb -0.12 -1.19 0.11 0.00 -0.40 0.00 0.00 41.96 40.36 1rjc s TYR 80 CO 0.01 0.43 0.14 -1.17 -1.57 0.00 0.00 175.55 173.40 1rjc s LEU 81 N -2.42 1.10 -0.22 -1.29 2.96 -0.55 -2.28 118.68 115.99 1rjc s LEU 81 Ca 0.18 -1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 52.21 1rjc s LEU 81 Cb -0.09 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.10 1rjc s LEU 81 CO 0.08 -0.40 1.00 -1.58 -1.32 0.00 0.00 176.35 174.13 1rjc s GLN 82 N 1.72 4.27 -0.40 1.98 2.00 -0.30 -1.40 119.66 127.54 1rjc s GLN 82 Ca 0.11 1.30 -0.04 0.00 -2.00 0.00 0.00 55.36 54.73 1rjc s GLN 82 Cb -0.18 -3.63 0.09 0.00 0.80 0.00 0.00 33.01 30.10 1rjc s GLN 82 CO -0.26 -0.58 0.19 -1.64 -0.50 0.00 0.00 175.29 172.50 1rjc s MET 83 N 3.01 2.22 0.16 1.67 -1.94 0.83 -1.32 119.30 123.93 1rjc s MET 83 Ca 0.43 -1.65 0.03 0.00 -1.71 0.00 0.00 55.69 52.79 1rjc s MET 83 Cb -0.15 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 1rjc s MET 83 CO 0.07 -0.98 0.25 -0.80 -0.01 0.00 0.00 175.02 173.56 1rjc s ASN 84 N 1.83 6.11 -1.33 3.03 0.01 -0.65 -1.17 114.94 122.77 1rjc s ASN 84 Ca 0.05 0.08 -0.10 0.00 -0.71 0.00 0.00 52.86 52.17 1rjc s ASN 84 Cb -0.22 -1.77 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1rjc s ASN 84 CO -0.02 0.04 0.49 -1.20 -1.51 0.00 0.00 177.10 174.90 1rjc n SER 85 N -0.59 -1.91 -4.67 -1.22 7.64 -1.23 -4.70 113.62 106.94 1rjc n SER 85 Ca -0.07 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 1rjc n SER 85 Cb 0.54 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 1rjc n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rjc n LEU 86 N -4.48 3.30 -4.53 -3.43 4.77 -0.44 -4.56 117.00 107.63 1rjc n LEU 86 Ca -0.23 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.64 1rjc n LEU 86 Cb 0.65 -1.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.20 1rjc n LEU 86 CO 0.75 -0.84 -0.44 -0.54 -1.33 0.00 0.00 177.39 174.99 1rjc s LYS 87 N -1.97 1.88 0.49 3.23 -0.14 -1.26 -0.43 119.74 121.55 1rjc s LYS 87 Ca 0.59 -1.53 0.18 0.00 -1.36 0.00 0.00 55.97 53.85 1rjc s LYS 87 Cb -0.56 -1.96 1.23 0.00 -1.68 0.00 0.00 37.83 34.85 1rjc s LYS 87 CO 0.60 0.37 2.05 -1.35 -0.76 0.00 0.00 175.35 176.26 1rjc h PRO 88 N 2.48 0.14 0.00 -1.68 0.11 -1.90 0.37 132.00 131.52 1rjc h PRO 88 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1rjc h PRO 88 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rjc h PRO 88 CO 0.57 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1rjc n GLU 89 N -4.46 0.18 0.00 1.05 4.71 -1.26 -2.24 120.64 118.62 1rjc n GLU 89 Ca 0.05 0.44 0.15 0.00 -0.01 0.00 0.00 57.16 57.79 1rjc n GLU 89 Cb 0.34 -1.86 0.76 0.00 -1.01 0.00 0.00 31.44 29.68 1rjc n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1rjc n ASP 90 N -2.19 0.05 -4.66 1.62 8.00 0.12 -4.85 116.55 114.64 1rjc n ASP 90 Ca 0.02 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 1rjc n ASP 90 Cb 0.20 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1rjc n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rjc s THR 91 N -2.50 3.17 0.00 -3.53 2.01 -0.95 -4.86 115.64 108.97 1rjc s THR 91 Ca 0.31 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1rjc s THR 91 Cb 0.20 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1rjc s THR 91 CO 0.45 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 1rjc n ALA 92 N 7.36 0.00 -2.69 7.40 0.00 -0.29 -4.80 120.51 127.50 1rjc n ALA 92 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1rjc n ALA 92 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1rjc n ALA 92 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rjc s MET 93 N -2.00 4.31 -0.09 0.00 -1.94 -0.25 -1.10 119.30 118.23 1rjc s MET 93 Ca 0.00 0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 54.42 1rjc s MET 93 Cb 0.00 -3.41 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 1rjc s MET 93 CO 0.00 0.21 -0.02 0.71 -0.01 0.00 0.00 175.02 175.91 1rjc s TYR 94 N 0.44 3.09 0.05 -0.03 1.51 0.34 -0.85 117.35 121.90 1rjc s TYR 94 Ca 0.26 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1rjc s TYR 94 Cb -0.15 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1rjc s TYR 94 CO 0.11 0.36 -0.11 0.71 -1.11 0.00 0.00 175.55 175.50 1rjc s TYR 95 N -0.66 0.98 -0.10 2.71 2.02 -0.01 -1.07 117.35 121.20 1rjc s TYR 95 Ca 0.10 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 1rjc s TYR 95 Cb -0.12 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1rjc s TYR 95 CO 0.02 0.00 0.08 0.00 -1.57 0.00 0.00 175.55 174.08 1rjc s ALA 97 N -0.97 2.15 0.06 0.00 0.00 0.16 -3.59 121.76 119.56 1rjc s ALA 97 Ca 0.14 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.12 1rjc s ALA 97 Cb -0.12 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1rjc s ALA 97 CO 0.03 -0.15 0.27 0.00 0.00 0.00 0.00 175.76 175.91 1rjc s ALA 98 N -3.17 -0.54 0.16 0.00 0.00 -0.22 -0.86 121.76 117.13 1rjc s ALA 98 Ca 0.29 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1rjc s ALA 98 Cb 0.05 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1rjc s ALA 98 CO 0.11 -0.44 0.13 -0.40 0.00 0.00 0.00 175.76 175.16 1rjc n ASP 99 N 0.40 1.42 -4.63 0.00 5.75 -0.82 -1.70 116.55 116.96 1rjc n ASP 99 Ca -0.18 -1.55 -0.35 0.00 -0.01 0.00 0.00 54.79 52.71 1rjc n ASP 99 Cb 0.60 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1rjc n ASP 99 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1rjc s THR 100 N -0.72 4.22 -1.87 2.12 -1.32 -1.26 -4.35 115.64 112.46 1rjc s THR 100 Ca 0.10 -0.27 0.31 0.00 -1.21 0.00 0.00 61.69 60.62 1rjc s THR 100 Cb -0.01 -2.80 0.81 0.00 -1.51 0.00 0.00 72.50 68.99 1rjc s THR 100 CO 0.06 0.57 2.15 -1.54 -2.21 0.00 0.00 174.62 173.66 1rjc n SER 101 N 2.53 0.00 0.00 8.08 3.41 -0.48 -3.06 113.62 124.10 1rjc n SER 101 Ca -0.18 -0.79 0.09 0.00 -0.26 0.00 0.00 58.87 57.73 1rjc n SER 101 Cb 0.53 -0.06 0.43 0.00 -0.26 0.00 0.00 64.21 64.85 1rjc n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rjc n THR 102 N -1.06 0.60 -4.94 6.66 -2.24 -1.26 -4.54 114.28 107.49 1rjc n THR 102 Ca 0.21 0.15 -0.28 0.00 -2.27 0.00 0.00 64.05 61.87 1rjc n THR 102 Cb 0.14 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.38 1rjc n THR 102 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1rjc s TRP 103 N -2.88 1.92 0.22 4.78 0.52 -1.17 -5.12 118.94 117.21 1rjc s TRP 103 Ca 0.12 -0.59 -0.30 0.00 0.02 0.00 0.00 56.10 55.35 1rjc s TRP 103 Cb 0.13 -1.29 -0.08 0.00 -1.15 0.00 0.00 33.47 31.07 1rjc s TRP 103 CO 0.34 -0.21 1.12 -0.47 0.02 0.00 0.00 176.95 177.75 1rjc s TYR 104 N 0.07 3.55 -0.16 -1.98 5.04 -1.26 -4.91 117.35 117.70 1rjc s TYR 104 Ca -0.06 1.60 -0.05 0.00 -2.44 0.00 0.00 57.07 56.13 1rjc s TYR 104 Cb -0.13 -3.31 0.06 0.00 0.35 0.00 0.00 41.96 38.93 1rjc s TYR 104 CO 0.03 -0.71 0.08 1.03 -1.34 0.00 0.00 175.55 174.64 1rjc s ARG 105 N -0.75 0.10 0.00 4.97 1.81 -1.26 -5.01 118.95 118.80 1rjc s ARG 105 Ca 0.48 -0.06 0.27 0.00 -1.72 0.00 0.00 55.73 54.70 1rjc s ARG 105 Cb -0.31 -1.72 1.27 0.00 -0.45 0.00 0.00 34.95 33.74 1rjc s ARG 105 CO 0.38 -0.63 1.91 0.41 -0.68 0.00 0.00 175.30 176.68 1rjc n GLY 106 N 5.26 -1.32 3.82 -3.53 0.00 -1.26 -4.88 105.19 103.29 1rjc n GLY 106 Ca -0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1rjc n GLY 106 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rjc s TYR 107 N -2.79 -0.04 0.16 1.61 -0.85 -1.26 -5.15 117.35 109.03 1rjc s TYR 107 Ca 0.19 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1rjc s TYR 107 Cb 0.18 0.73 -0.04 0.00 0.38 0.00 0.00 41.96 43.21 1rjc s TYR 107 CO 0.46 -1.18 -0.13 0.00 -1.52 0.00 0.00 175.55 173.18 1rjc s GLY 109 N -2.97 1.33 0.20 0.00 0.00 -1.26 -4.94 107.32 99.67 1rjc s GLY 109 Ca 0.16 -1.65 0.25 0.00 0.00 0.00 0.00 44.72 43.48 1rjc s GLY 109 CO 0.04 -1.53 1.51 -0.91 0.00 0.00 0.00 173.10 172.20 1rjc h THR 110 N 2.63 0.00 -1.46 0.90 1.35 -1.90 -3.46 112.91 110.97 1rjc h THR 110 Ca -0.37 -0.58 -0.75 0.00 -0.55 0.00 0.00 66.41 64.16 1rjc h THR 110 Cb 1.22 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1rjc h THR 110 CO 0.62 0.00 0.91 -3.20 -0.25 0.00 0.00 175.52 173.59 1rjc n ASN 111 N -2.32 2.25 0.17 5.36 2.85 -1.26 -4.19 115.26 118.12 1rjc n ASN 111 Ca 0.04 1.06 0.17 0.00 -0.11 0.00 0.00 54.58 55.75 1rjc n ASN 111 Cb 0.45 -1.11 0.79 0.00 1.24 0.00 0.00 39.78 41.15 1rjc n ASN 111 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rjc h PRO 112 N 7.18 0.00 0.00 1.20 0.11 -1.90 -0.34 132.00 138.24 1rjc h PRO 112 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1rjc h PRO 112 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1rjc h PRO 112 CO 0.97 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.85 1rjc n ASN 113 N -3.90 0.00 -0.87 -2.05 3.02 -1.26 -2.06 115.26 108.14 1rjc n ASN 113 Ca 0.03 -0.95 0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1rjc n ASN 113 Cb 0.38 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.82 1rjc n ASN 113 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rjc n TYR 114 N -0.88 0.24 -4.16 3.10 4.01 -0.14 -4.83 117.16 114.51 1rjc n TYR 114 Ca 0.14 -0.12 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 1rjc n TYR 114 Cb 0.06 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.93 1rjc n TYR 114 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1rjc s PHE 115 N -1.76 1.67 -2.09 -0.72 0.40 -0.87 -4.66 117.98 109.95 1rjc s PHE 115 Ca 0.34 -0.80 0.25 0.00 -0.60 0.00 0.00 56.93 56.12 1rjc s PHE 115 Cb 0.21 -1.29 0.41 0.00 0.51 0.00 0.00 43.02 42.85 1rjc s PHE 115 CO 0.30 -0.48 1.35 0.43 0.70 0.00 0.00 175.22 177.52 1rjc n SER 116 N 4.54 1.71 -4.26 1.36 7.64 -1.17 -4.91 113.62 118.54 1rjc n SER 116 Ca -0.17 -1.34 -0.28 0.00 1.01 0.00 0.00 58.87 58.09 1rjc n SER 116 Cb 0.51 0.25 -0.15 0.00 -1.01 0.00 0.00 64.21 63.80 1rjc n SER 116 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rjc s TYR 117 N -2.38 2.01 0.03 1.43 1.51 -0.69 -5.02 117.35 114.24 1rjc s TYR 117 Ca 0.24 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 1rjc s TYR 117 Cb 0.19 -1.27 0.10 0.00 -0.11 0.00 0.00 41.96 40.87 1rjc s TYR 117 CO 0.50 0.00 1.05 1.67 -1.11 0.00 0.00 175.55 177.66 1rjc s TRP 118 N -0.60 -0.16 0.00 2.71 -2.14 -1.26 -1.06 118.94 116.43 1rjc s TRP 118 Ca 0.09 -0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.83 1rjc s TRP 118 Cb -0.09 0.58 0.00 0.00 -3.10 0.00 0.00 33.47 30.86 1rjc s TRP 118 CO -0.00 -0.55 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 1rjc n GLY 119 N -0.37 5.16 3.77 3.67 0.00 -1.18 -5.02 105.19 111.21 1rjc n GLY 119 Ca -0.06 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1rjc n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rjc s GLN 120 N 2.47 4.01 0.49 1.61 -1.52 -1.24 -4.87 119.66 120.62 1rjc s GLN 120 Ca 0.00 1.81 0.06 0.00 -1.95 0.00 0.00 55.36 55.28 1rjc s GLN 120 Cb 0.00 -2.63 0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1rjc s GLN 120 CO 0.00 -0.35 0.68 0.20 -0.25 0.00 0.00 175.29 175.57 1rjc s GLY 121 N -1.19 1.88 -0.04 3.09 0.00 -1.26 -1.61 107.32 108.19 1rjc s GLY 121 Ca 0.58 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1rjc s GLY 121 CO 0.37 -1.35 -0.12 -1.08 0.00 0.00 0.00 173.10 170.92 1rjc s THR 122 N -2.56 1.04 0.09 0.90 -1.32 -0.23 -4.78 115.64 108.78 1rjc s THR 122 Ca 0.57 -0.49 -0.29 0.00 -1.21 0.00 0.00 61.69 60.27 1rjc s THR 122 Cb -0.09 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 1rjc s THR 122 CO 0.36 0.32 0.94 -1.58 -2.21 0.00 0.00 174.62 172.45 1rjc s GLN 123 N 0.25 4.66 -0.20 7.08 2.00 -1.26 -0.50 119.66 131.68 1rjc s GLN 123 Ca -0.06 1.40 0.01 0.00 -2.00 0.00 0.00 55.36 54.72 1rjc s GLN 123 Cb -0.11 -3.39 0.04 0.00 0.80 0.00 0.00 33.01 30.35 1rjc s GLN 123 CO 0.02 0.18 -0.12 0.08 -0.50 0.00 0.00 175.29 174.95 1rjc s VAL 124 N 0.14 1.75 -0.12 1.34 1.01 -0.26 -0.80 120.40 123.47 1rjc s VAL 124 Ca 0.47 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1rjc s VAL 124 Cb -0.23 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1rjc s VAL 124 CO 0.29 0.22 -0.22 -0.89 0.00 0.00 0.00 175.10 174.50 1rjc s THR 125 N 1.35 2.16 -0.12 3.92 2.01 0.21 -1.14 115.64 124.04 1rjc s THR 125 Ca -0.01 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1rjc s THR 125 Cb -0.16 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1rjc s THR 125 CO -0.09 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 1rjc s VAL 126 N 0.56 1.27 -1.12 3.82 1.01 -1.26 -0.58 120.40 124.11 1rjc s VAL 126 Ca -0.13 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1rjc s VAL 126 Cb -0.17 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.07 1rjc s VAL 126 CO 0.04 0.40 0.78 -1.20 0.00 0.00 0.00 175.10 175.13