#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdy s THR 2 N 0.00 2.30 0.12 0.00 2.01 -1.26 -5.02 115.64 113.79 2jdy s THR 2 Ca 0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.32 2jdy s THR 2 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2jdy s THR 2 CO 0.00 0.05 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.75 2jdy s GLN 3 N -0.80 1.01 -0.01 4.92 -1.52 -1.26 -4.82 119.66 117.18 2jdy s GLN 3 Ca 0.59 -1.26 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 2jdy s GLN 3 Cb -0.45 -0.83 0.00 0.00 -0.22 0.00 0.00 33.01 31.51 2jdy s GLN 3 CO 0.49 0.15 0.00 0.41 -0.25 0.00 0.00 175.29 176.09 2jdy n GLY 4 N 0.42 0.48 3.36 3.09 0.00 -1.26 -4.91 105.19 106.36 2jdy n GLY 4 Ca -0.15 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2jdy n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdy s VAL 5 N -1.99 2.98 -0.01 1.61 1.01 -1.26 -0.75 120.40 121.99 2jdy s VAL 5 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2jdy s VAL 5 Cb 0.00 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2jdy s VAL 5 CO 0.00 0.53 -0.07 -0.36 0.00 0.00 0.00 175.10 175.19 2jdy s PHE 6 N 0.33 0.72 -0.45 5.22 0.08 0.05 -5.02 117.98 118.91 2jdy s PHE 6 Ca -0.11 -0.15 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 2jdy s PHE 6 Cb -0.16 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.84 2jdy s PHE 6 CO 0.06 -0.04 0.54 0.99 -0.10 0.00 0.00 175.22 176.67 2jdy s THR 7 N -0.03 4.97 0.43 0.64 2.01 -1.26 -1.26 115.64 121.14 2jdy s THR 7 Ca 0.01 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 2jdy s THR 7 Cb -0.05 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2jdy s THR 7 CO -0.00 -0.59 0.68 -0.76 -0.69 0.00 0.00 174.62 173.26 2jdy s LEU 8 N 2.41 3.75 0.51 4.42 1.02 0.81 -5.01 118.68 126.58 2jdy s LEU 8 Ca 0.15 0.60 -0.23 0.00 0.02 0.00 0.00 54.13 54.66 2jdy s LEU 8 Cb -0.17 -3.49 -0.06 0.00 0.02 0.00 0.00 46.19 42.48 2jdy s LEU 8 CO 0.14 -0.53 1.40 -0.81 0.02 0.00 0.00 176.35 176.56 2jdy n PRO 9 N -2.07 1.93 -1.92 1.29 -0.04 -1.26 -4.42 135.00 128.51 2jdy n PRO 9 Ca -0.01 0.70 -0.37 0.00 -0.04 0.00 0.00 63.50 63.78 2jdy n PRO 9 Cb 0.56 -2.61 0.04 0.00 -0.04 0.00 0.00 33.50 31.46 2jdy n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jdy s ALA 10 N -1.25 2.60 -1.28 0.55 0.00 -1.26 -3.60 121.76 117.52 2jdy s ALA 10 Ca 0.67 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.71 2jdy s ALA 10 Cb -0.43 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 2jdy s ALA 10 CO 0.53 -1.27 0.67 0.09 0.00 0.00 0.00 175.76 175.77 2jdy n ASN 11 N -1.45 -2.22 -4.15 0.00 3.02 0.13 -4.89 115.26 105.70 2jdy n ASN 11 Ca 0.13 -0.90 -0.28 0.00 -0.03 0.00 0.00 54.58 53.49 2jdy n ASN 11 Cb 0.48 -3.74 -0.16 0.00 -0.61 0.00 0.00 39.78 35.75 2jdy n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdy s THR 12 N -3.68 1.64 0.28 3.41 2.01 -1.24 -4.90 115.64 113.17 2jdy s THR 12 Ca 0.14 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2jdy s THR 12 Cb -0.04 -1.42 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 2jdy s THR 12 CO 0.84 0.47 1.18 -0.13 -0.69 0.00 0.00 174.62 176.29 2jdy s ARG 13 N 0.23 4.52 0.01 4.92 0.52 -1.26 -0.82 118.95 127.08 2jdy s ARG 13 Ca -0.10 1.95 -0.09 0.00 -0.52 0.00 0.00 55.73 56.97 2jdy s ARG 13 Cb -0.15 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.17 2jdy s ARG 13 CO 0.05 0.03 0.19 -0.59 0.02 0.00 0.00 175.30 175.00 2jdy s PHE 14 N -0.98 0.01 0.09 -0.53 -0.71 0.11 -4.12 117.98 111.85 2jdy s PHE 14 Ca 0.47 -0.13 -0.10 0.00 -1.04 0.00 0.00 56.93 56.14 2jdy s PHE 14 Cb -0.35 -0.02 -0.06 0.00 -1.21 0.00 0.00 43.02 41.38 2jdy s PHE 14 CO 0.44 -0.36 0.41 0.20 -1.34 0.00 0.00 175.22 174.57 2jdy s GLY 15 N -1.65 2.34 -0.05 1.99 0.00 0.00 -1.04 107.32 108.91 2jdy s GLY 15 Ca -0.11 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2jdy s GLY 15 CO -0.00 -0.17 -0.07 0.54 0.00 0.00 0.00 173.10 173.40 2jdy s VAL 16 N -1.43 0.70 -0.02 1.40 0.11 0.20 -1.14 120.40 120.21 2jdy s VAL 16 Ca 0.34 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2jdy s VAL 16 Cb -0.14 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2jdy s VAL 16 CO 0.19 0.26 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.31 2jdy s THR 17 N 0.82 0.26 -0.06 5.04 2.01 -0.27 -1.11 115.64 122.34 2jdy s THR 17 Ca -0.12 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2jdy s THR 17 Cb -0.15 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 2jdy s THR 17 CO 0.01 0.14 -0.24 0.00 -0.69 0.00 0.00 174.62 173.85 2jdy s ALA 18 N 0.73 2.23 0.11 7.40 0.00 -0.26 -0.68 121.76 131.28 2jdy s ALA 18 Ca -0.08 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 50.93 2jdy s ALA 18 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2jdy s ALA 18 CO -0.01 0.43 -0.21 -0.06 0.00 0.00 0.00 175.76 175.91 2jdy s PHE 19 N -0.23 2.46 -0.04 0.00 0.40 0.95 -1.08 117.98 120.45 2jdy s PHE 19 Ca -0.01 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 2jdy s PHE 19 Cb -0.13 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 2jdy s PHE 19 CO 0.03 0.35 -0.24 0.00 0.70 0.00 0.00 175.22 176.06 2jdy s ALA 20 N -1.08 2.02 -0.41 5.36 0.00 -0.68 -0.87 121.76 126.10 2jdy s ALA 20 Ca 0.16 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.19 2jdy s ALA 20 Cb -0.10 -0.58 0.25 0.00 0.00 0.00 0.00 23.12 22.68 2jdy s ALA 20 CO 0.08 0.43 0.61 0.09 0.00 0.00 0.00 175.76 176.97 2jdy n ASN 21 N 2.78 -0.59 -3.50 0.00 3.02 -0.47 -2.06 115.26 114.44 2jdy n ASN 21 Ca -0.17 -2.84 -0.13 0.00 -0.03 0.00 0.00 54.58 51.41 2jdy n ASN 21 Cb 0.52 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 2jdy n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdy s SER 22 N -1.30 -0.52 0.39 6.41 0.15 0.75 -4.02 113.70 115.55 2jdy s SER 22 Ca 0.34 0.30 0.28 0.00 0.70 0.00 0.00 55.95 57.57 2jdy s SER 22 Cb 0.18 0.49 1.05 0.00 -1.71 0.00 0.00 66.02 66.03 2jdy s SER 22 CO -0.14 -0.68 1.82 0.77 1.20 0.00 0.00 173.24 176.20 2jdy h SER 23 N 2.41 0.00 -3.13 5.45 4.64 -1.96 -3.32 113.55 117.64 2jdy h SER 23 Ca -0.27 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.46 2jdy h SER 23 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2jdy h SER 23 CO 0.36 0.00 -0.16 0.20 -0.87 0.00 0.00 176.83 176.35 2jdy s ASN 24 N -5.04 6.82 0.18 4.97 0.01 -1.26 -4.95 114.94 115.67 2jdy s ASN 24 Ca 0.04 1.00 -0.32 0.00 -0.71 0.00 0.00 52.86 52.87 2jdy s ASN 24 Cb 0.09 -2.26 -0.12 0.00 0.41 0.00 0.00 41.25 39.37 2jdy s ASN 24 CO 0.50 0.24 1.72 0.41 -1.51 0.00 0.00 177.10 178.47 2jdy n THR 25 N 1.42 0.07 -3.70 1.60 -1.04 -1.26 -4.68 114.28 106.69 2jdy n THR 25 Ca -0.11 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.52 2jdy n THR 25 Cb 0.52 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 67.04 2jdy n THR 25 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdy s GLN 26 N 1.44 3.76 -0.18 -2.82 -1.52 -0.24 -4.41 119.66 115.70 2jdy s GLN 26 Ca 0.77 0.08 -0.01 0.00 -1.95 0.00 0.00 55.36 54.25 2jdy s GLN 26 Cb -0.53 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 2jdy s GLN 26 CO 0.34 0.64 -0.13 0.99 -0.25 0.00 0.00 175.29 176.89 2jdy s THR 27 N -0.74 2.78 -0.19 -0.19 2.01 -0.07 -1.52 115.64 117.73 2jdy s THR 27 Ca 0.18 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 2jdy s THR 27 Cb -0.14 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.17 2jdy s THR 27 CO 0.07 0.49 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.69 2jdy s VAL 28 N 1.11 2.87 -0.10 3.82 1.01 0.40 -1.11 120.40 128.40 2jdy s VAL 28 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2jdy s VAL 28 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2jdy s VAL 28 CO -0.04 0.48 -0.12 0.20 0.00 0.00 0.00 175.10 175.63 2jdy s ASN 29 N 1.21 4.18 -0.21 3.32 0.01 -0.18 -1.11 114.94 122.17 2jdy s ASN 29 Ca 0.02 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 51.93 2jdy s ASN 29 Cb -0.14 -1.38 0.01 0.00 0.41 0.00 0.00 41.25 40.15 2jdy s ASN 29 CO -0.05 0.24 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.97 2jdy s VAL 30 N -0.06 2.62 -0.11 1.60 1.01 -0.01 -0.82 120.40 124.62 2jdy s VAL 30 Ca -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jdy s VAL 30 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2jdy s VAL 30 CO 0.04 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 174.79 2jdy s LEU 31 N 1.34 3.60 -0.11 3.92 1.02 0.83 0.14 118.68 129.41 2jdy s LEU 31 Ca 0.04 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.32 2jdy s LEU 31 Cb -0.14 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.24 2jdy s LEU 31 CO -0.08 0.33 -0.17 -0.69 0.02 0.00 0.00 176.35 175.76 2jdy s VAL 32 N -0.56 1.64 -1.45 -1.59 1.01 0.00 -0.57 120.40 118.88 2jdy s VAL 32 Ca 0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2jdy s VAL 32 Cb -0.12 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.83 2jdy s VAL 32 CO 0.02 0.47 0.91 -3.20 0.00 0.00 0.00 175.10 173.30 2jdy n ASN 33 N 4.14 -3.78 -0.65 3.32 5.15 -0.19 -1.86 115.26 121.39 2jdy n ASN 33 Ca -0.19 -0.77 -0.08 0.00 -0.60 0.00 0.00 54.58 52.93 2jdy n ASN 33 Cb 0.51 -4.03 -0.04 0.00 -0.53 0.00 0.00 39.78 35.69 2jdy n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jdy n ASN 34 N -2.92 -5.01 -4.16 1.20 3.02 -1.26 -5.00 115.26 101.12 2jdy n ASN 34 Ca -0.07 0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.41 2jdy n ASN 34 Cb 0.58 -3.26 -0.16 0.00 -0.61 0.00 0.00 39.78 36.32 2jdy n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jdy s GLU 35 N -2.48 2.12 0.04 3.52 0.41 -0.78 -5.07 118.70 116.47 2jdy s GLU 35 Ca 0.00 -0.69 -0.33 0.00 -0.41 0.00 0.00 54.97 53.54 2jdy s GLU 35 Cb 0.00 -1.78 -0.12 0.00 -1.78 0.00 0.00 34.13 30.46 2jdy s GLU 35 CO 0.00 0.24 1.80 2.41 -0.49 0.00 0.00 175.26 179.22 2jdy n THR 36 N 3.23 0.39 -0.02 3.63 -1.04 -1.26 -0.82 114.28 118.39 2jdy n THR 36 Ca -0.19 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2jdy n THR 36 Cb 0.53 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 67.08 2jdy n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jdy n ALA 37 N 5.61 2.07 -3.41 2.41 0.00 0.12 -4.88 120.51 122.44 2jdy n ALA 37 Ca 0.20 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 2jdy n ALA 37 Cb 0.32 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 2jdy n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdy s ALA 38 N -2.39 -1.32 -0.01 0.00 0.00 -1.04 -5.01 121.76 111.99 2jdy s ALA 38 Ca -0.03 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2jdy s ALA 38 Cb 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jdy s ALA 38 CO 0.33 -0.29 -0.04 0.95 0.00 0.00 0.00 175.76 176.70 2jdy s THR 39 N -0.54 0.39 0.02 0.00 -4.23 -1.26 -0.83 115.64 109.19 2jdy s THR 39 Ca -0.07 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2jdy s THR 39 Cb -0.03 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 2jdy s THR 39 CO 0.04 0.13 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.79 2jdy s PHE 40 N 0.10 0.87 0.02 3.99 0.08 -0.27 -5.00 117.98 117.78 2jdy s PHE 40 Ca -0.01 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.77 2jdy s PHE 40 Cb -0.04 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.86 2jdy s PHE 40 CO -0.00 -0.01 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.95 2jdy s SER 41 N -0.79 0.41 0.00 1.36 0.01 -1.26 -0.45 113.70 112.98 2jdy s SER 41 Ca -0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2jdy s SER 41 Cb -0.06 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2jdy s SER 41 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2jdy n GLY 42 N 2.02 1.74 3.30 3.44 0.00 -0.57 -4.93 105.19 110.19 2jdy n GLY 42 Ca -0.20 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 2jdy n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdy s GLN 43 N -2.00 2.77 -0.15 1.61 -0.44 -1.26 -1.07 119.66 119.11 2jdy s GLN 43 Ca 0.00 -0.84 -0.28 0.00 -2.50 0.00 0.00 55.36 51.74 2jdy s GLN 43 Cb 0.00 -2.29 0.07 0.00 -1.64 0.00 0.00 33.01 29.15 2jdy s GLN 43 CO 0.00 0.35 0.72 0.45 0.50 0.00 0.00 175.29 177.31 2jdy s SER 44 N -0.07 -0.68 -0.16 6.67 0.15 -1.25 -5.00 113.70 113.37 2jdy s SER 44 Ca -0.05 1.01 0.17 0.00 0.70 0.00 0.00 55.95 57.77 2jdy s SER 44 Cb -0.14 0.92 0.46 0.00 -1.71 0.00 0.00 66.02 65.54 2jdy s SER 44 CO 0.04 -0.44 1.34 0.35 1.20 0.00 0.00 173.24 175.74 2jdy n THR 45 N 1.67 2.13 -2.12 6.45 -2.24 -1.26 -0.18 114.28 118.74 2jdy n THR 45 Ca -0.16 -1.94 0.04 0.00 -2.27 0.00 0.00 64.05 59.71 2jdy n THR 45 Cb 0.56 -0.22 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 2jdy n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jdy n ASN 46 N -0.71 1.48 -2.62 3.42 3.02 -1.26 -4.86 115.26 113.74 2jdy n ASN 46 Ca 0.19 -2.88 -0.20 0.00 -0.03 0.00 0.00 54.58 51.66 2jdy n ASN 46 Cb 0.81 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 2jdy n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jdy n ASN 47 N -0.28 -5.78 -4.75 6.41 5.15 -0.88 -4.94 115.26 110.20 2jdy n ASN 47 Ca 0.13 -0.18 -0.42 0.00 -0.60 0.00 0.00 54.58 53.52 2jdy n ASN 47 Cb 0.93 -4.68 -0.00 0.00 -0.53 0.00 0.00 39.78 35.50 2jdy n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdy n ALA 48 N -2.91 1.99 -2.58 5.20 0.00 -1.22 -4.60 120.51 116.39 2jdy n ALA 48 Ca -0.15 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2jdy n ALA 48 Cb 0.64 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 2jdy n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdy s VAL 49 N -1.09 3.86 -0.54 0.00 1.01 -1.26 -1.68 120.40 120.70 2jdy s VAL 49 Ca 0.54 -0.18 0.24 0.00 0.00 0.00 0.00 61.98 62.59 2jdy s VAL 49 Cb -0.51 -4.96 0.26 0.00 0.00 0.00 0.00 36.38 31.17 2jdy s VAL 49 CO 0.63 -1.86 1.73 2.30 0.00 0.00 0.00 175.10 177.90 2jdy n ILE 50 N 6.54 0.76 -3.64 2.22 -5.35 -0.24 -4.82 119.36 114.84 2jdy n ILE 50 Ca 0.16 0.10 -0.02 0.00 -0.27 0.00 0.00 62.75 62.71 2jdy n ILE 50 Cb 0.50 -1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 37.35 2jdy n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jdy s GLY 51 N -3.56 0.05 -0.00 3.28 0.00 -1.23 -4.37 107.32 101.50 2jdy s GLY 51 Ca 0.06 2.72 -0.02 0.00 0.00 0.00 0.00 44.72 47.48 2jdy s GLY 51 CO 0.45 1.05 0.03 -1.08 0.00 0.00 0.00 173.10 173.54 2jdy s THR 52 N -1.16 0.05 0.07 0.90 -1.32 -1.26 -1.10 115.64 111.82 2jdy s THR 52 Ca 0.09 -0.42 -0.16 0.00 -1.21 0.00 0.00 61.69 59.99 2jdy s THR 52 Cb -0.01 -0.19 0.03 0.00 -1.51 0.00 0.00 72.50 70.82 2jdy s THR 52 CO -0.07 -0.23 0.38 -1.58 -2.21 0.00 0.00 174.62 170.90 2jdy s GLN 53 N -0.71 0.94 -0.14 7.08 2.00 -0.26 -5.00 119.66 123.57 2jdy s GLN 53 Ca -0.08 -0.52 -0.02 0.00 -2.00 0.00 0.00 55.36 52.74 2jdy s GLN 53 Cb -0.05 0.41 -0.02 0.00 0.80 0.00 0.00 33.01 34.15 2jdy s GLN 53 CO -0.00 -0.33 -0.08 0.08 -0.50 0.00 0.00 175.29 174.46 2jdy s VAL 54 N -2.94 3.55 0.32 1.34 1.01 -1.26 -0.63 120.40 121.79 2jdy s VAL 54 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2jdy s VAL 54 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2jdy s VAL 54 CO -0.06 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 174.87 2jdy s LEU 55 N 0.27 2.03 -0.05 3.92 1.43 -0.21 -4.97 118.68 121.09 2jdy s LEU 55 Ca -0.06 -1.43 0.06 0.00 -1.03 0.00 0.00 54.13 51.67 2jdy s LEU 55 Cb -0.15 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 2jdy s LEU 55 CO 0.04 -0.69 -0.23 0.21 0.23 0.00 0.00 176.35 175.92 2jdy s ASN 56 N -3.47 3.28 0.27 2.29 3.84 -1.26 -0.72 114.94 119.18 2jdy s ASN 56 Ca 0.35 -0.44 0.24 0.00 0.21 0.00 0.00 52.86 53.22 2jdy s ASN 56 Cb 0.08 -0.80 0.98 0.00 -0.55 0.00 0.00 41.25 40.96 2jdy s ASN 56 CO 0.15 0.27 1.73 -1.54 -2.79 0.00 0.00 177.10 174.92 2jdy n SER 57 N 2.79 0.73 -0.29 -4.21 3.41 0.00 -4.90 113.62 111.15 2jdy n SER 57 Ca -0.17 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2jdy n SER 57 Cb 0.52 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2jdy n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdy n GLY 58 N 0.14 -1.09 0.24 5.00 0.00 -1.26 -2.22 105.19 106.01 2jdy n GLY 58 Ca 0.02 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.88 2jdy n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdy h SER 59 N 0.00 0.30 0.65 1.61 4.64 -1.94 0.38 113.55 119.19 2jdy h SER 59 Ca 0.00 -0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 60.98 2jdy h SER 59 Cb 0.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2jdy h SER 59 CO 0.00 0.47 -1.39 0.77 -0.87 0.00 0.00 176.83 175.81 2jdy h SER 60 N 0.30 0.14 0.00 4.97 4.64 -1.97 -3.45 113.55 118.18 2jdy h SER 60 Ca 0.06 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2jdy h SER 60 Cb 0.43 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jdy h SER 60 CO 0.03 1.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2jdy n GLY 61 N 1.53 0.62 3.64 -0.77 0.00 -0.94 -4.81 105.19 104.45 2jdy n GLY 61 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2jdy n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdy s LYS 62 N -0.39 4.14 -0.08 1.61 2.20 -1.26 -0.13 119.74 125.82 2jdy s LYS 62 Ca 0.00 1.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.75 2jdy s LYS 62 Cb 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2jdy s LYS 62 CO 0.00 -0.73 -0.22 0.08 -0.36 0.00 0.00 175.35 174.13 2jdy s VAL 63 N 3.30 1.85 -0.03 4.02 1.01 -0.39 -1.03 120.40 129.13 2jdy s VAL 63 Ca 0.42 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2jdy s VAL 63 Cb -0.14 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 2jdy s VAL 63 CO 0.11 0.51 -0.14 -1.58 0.00 0.00 0.00 175.10 174.00 2jdy s GLN 64 N 0.31 1.38 -0.20 2.72 0.74 0.26 -0.77 119.66 124.10 2jdy s GLN 64 Ca -0.15 -0.48 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 2jdy s GLN 64 Cb -0.17 -1.24 -0.04 0.00 1.10 0.00 0.00 33.01 32.67 2jdy s GLN 64 CO 0.07 0.20 0.06 0.08 -0.55 0.00 0.00 175.29 175.15 2jdy s VAL 65 N 0.04 4.62 0.00 1.34 1.01 0.07 -0.12 120.40 127.37 2jdy s VAL 65 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2jdy s VAL 65 Cb -0.09 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 2jdy s VAL 65 CO 0.01 0.43 -0.26 -1.10 0.00 0.00 0.00 175.10 174.19 2jdy s GLN 66 N 0.65 2.02 -0.06 2.72 -0.21 -0.00 -4.75 119.66 120.02 2jdy s GLN 66 Ca 0.03 -0.98 0.03 0.00 0.02 0.00 0.00 55.36 54.45 2jdy s GLN 66 Cb -0.13 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.86 2jdy s GLN 66 CO 0.02 0.55 -0.13 0.08 -2.12 0.00 0.00 175.29 173.68 2jdy s VAL 67 N -0.68 1.20 0.05 1.09 1.01 -1.26 -1.01 120.40 120.79 2jdy s VAL 67 Ca 0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2jdy s VAL 67 Cb -0.10 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2jdy s VAL 67 CO 0.00 0.37 0.01 -0.94 0.00 0.00 0.00 175.10 174.54 2jdy s SER 68 N 0.50 0.35 -0.20 3.32 1.04 -0.26 -0.71 113.70 117.74 2jdy s SER 68 Ca -0.12 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2jdy s SER 68 Cb -0.15 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2jdy s SER 68 CO 0.03 -0.54 -0.14 -0.69 0.98 0.00 0.00 173.24 172.89 2jdy s VAL 69 N -3.21 1.88 -1.23 5.02 1.01 -0.12 -0.89 120.40 122.86 2jdy s VAL 69 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2jdy s VAL 69 Cb 0.03 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2jdy s VAL 69 CO -0.07 0.27 0.03 0.59 0.00 0.00 0.00 175.10 175.92 2jdy n ASN 70 N 4.62 0.55 0.00 3.32 3.02 -1.26 -1.23 115.26 124.27 2jdy n ASN 70 Ca -0.17 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2jdy n ASN 70 Cb 0.47 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 2jdy n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jdy n GLY 71 N -2.25 0.68 3.19 7.41 0.00 -1.26 -5.05 105.19 107.91 2jdy n GLY 71 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2jdy n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdy s ARG 72 N -0.34 3.11 0.21 1.61 0.52 -0.37 -5.10 118.95 118.59 2jdy s ARG 72 Ca 0.00 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.13 2jdy s ARG 72 Cb 0.00 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.70 2jdy s ARG 72 CO 0.00 -0.16 1.53 -2.14 0.02 0.00 0.00 175.30 174.55 2jdy s PRO 73 N 1.24 4.22 0.59 3.54 0.02 -1.26 -0.95 135.00 142.40 2jdy s PRO 73 Ca 0.03 2.38 -0.13 0.00 0.02 0.00 0.00 61.00 63.30 2jdy s PRO 73 Cb -0.14 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2jdy s PRO 73 CO -0.08 -0.55 1.02 -1.12 -0.33 0.00 0.00 177.00 175.94 2jdy s SER 74 N 0.79 6.24 0.02 2.53 0.01 0.12 -4.91 113.70 118.49 2jdy s SER 74 Ca 0.66 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.13 2jdy s SER 74 Cb -0.44 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.26 2jdy s SER 74 CO 0.38 -0.85 1.15 -0.62 0.41 0.00 0.00 173.24 173.70 2jdy s ASP 75 N -3.66 7.14 0.05 2.44 2.15 -0.80 -4.81 116.67 119.17 2jdy s ASP 75 Ca 0.57 1.88 0.02 0.00 0.43 0.00 0.00 52.55 55.45 2jdy s ASP 75 Cb -0.11 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2jdy s ASP 75 CO 0.45 -0.45 0.09 -0.76 -0.17 0.00 0.00 175.17 174.33 2jdy s LEU 76 N 1.34 3.86 0.03 -1.34 1.43 -1.26 -1.06 118.68 121.68 2jdy s LEU 76 Ca 0.56 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 2jdy s LEU 76 Cb -0.26 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2jdy s LEU 76 CO 0.27 0.21 -0.16 0.68 0.23 0.00 0.00 176.35 177.58 2jdy s VAL 77 N -1.32 1.25 0.18 -1.59 -7.23 -0.23 -4.84 120.40 106.62 2jdy s VAL 77 Ca 0.27 -0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 2jdy s VAL 77 Cb -0.12 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.76 2jdy s VAL 77 CO 0.19 0.12 0.53 -0.94 -0.31 0.00 0.00 175.10 174.70 2jdy s SER 78 N -0.98 -0.34 -0.02 4.85 1.04 -1.26 -0.30 113.70 116.70 2jdy s SER 78 Ca 0.04 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 2jdy s SER 78 Cb -0.08 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.72 2jdy s SER 78 CO 0.01 -1.01 0.87 0.00 0.98 0.00 0.00 173.24 174.09 2jdy s ALA 79 N -3.83 -1.82 -0.05 5.32 0.00 -0.85 -4.91 121.76 115.63 2jdy s ALA 79 Ca 0.06 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2jdy s ALA 79 Cb -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2jdy s ALA 79 CO -0.07 -0.62 -0.18 -1.14 0.00 0.00 0.00 175.76 173.75 2jdy s GLN 80 N -2.77 2.47 -0.01 0.00 0.74 -1.26 -0.43 119.66 118.40 2jdy s GLN 80 Ca 0.03 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.69 2jdy s GLN 80 Cb -0.01 -2.29 -0.00 0.00 1.10 0.00 0.00 33.01 31.80 2jdy s GLN 80 CO -0.07 0.56 -0.09 0.54 -0.55 0.00 0.00 175.29 175.68 2jdy s VAL 81 N -0.58 0.74 -0.13 1.34 0.11 0.42 -4.99 120.40 117.31 2jdy s VAL 81 Ca 0.08 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2jdy s VAL 81 Cb -0.11 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2jdy s VAL 81 CO 0.01 0.22 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.17 2jdy s ILE 82 N -0.03 1.91 -0.05 7.04 1.01 -1.26 -0.93 121.20 128.88 2jdy s ILE 82 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2jdy s ILE 82 Cb -0.06 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2jdy s ILE 82 CO -0.00 0.52 0.02 -0.76 0.00 0.00 0.00 174.94 174.72 2jdy s LEU 83 N 0.86 3.65 -1.04 2.97 1.43 -0.05 -4.53 118.68 121.97 2jdy s LEU 83 Ca -0.07 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2jdy s LEU 83 Cb -0.15 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.23 2jdy s LEU 83 CO -0.02 0.34 0.34 1.07 0.23 0.00 0.00 176.35 178.31 2jdy n THR 84 N 1.79 -0.15 -2.21 5.49 5.66 -1.26 -1.17 114.28 122.44 2jdy n THR 84 Ca -0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.64 2jdy n THR 84 Cb 0.53 -0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 68.79 2jdy n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdy n ASN 85 N -2.05 -5.35 0.00 1.09 5.15 -1.26 -4.69 115.26 108.16 2jdy n ASN 85 Ca 0.05 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 2jdy n ASN 85 Cb 0.48 -4.53 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 2jdy n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jdy n GLU 86 N -2.80 0.00 -3.28 1.20 4.07 -0.32 -5.09 120.64 114.43 2jdy n GLU 86 Ca -0.22 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.49 2jdy n GLU 86 Cb 0.66 -0.06 -0.07 0.00 -0.06 0.00 0.00 31.44 31.91 2jdy n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jdy s LEU 87 N -4.70 4.10 -0.07 4.31 2.96 -0.45 -4.37 118.68 120.46 2jdy s LEU 87 Ca 0.00 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 2jdy s LEU 87 Cb 0.00 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2jdy s LEU 87 CO 0.00 -0.21 -0.10 0.20 -1.32 0.00 0.00 176.35 174.92 2jdy s ASN 88 N 1.35 4.41 -0.08 3.68 -0.87 0.77 -0.88 114.94 123.33 2jdy s ASN 88 Ca 0.21 -0.10 0.02 0.00 -1.57 0.00 0.00 52.86 51.41 2jdy s ASN 88 Cb -0.15 -1.13 0.02 0.00 -0.02 0.00 0.00 41.25 39.96 2jdy s ASN 88 CO 0.09 0.33 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.48 2jdy s PHE 89 N -0.63 1.45 -0.23 2.20 0.40 -0.11 -2.01 117.98 119.05 2jdy s PHE 89 Ca 0.09 -0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2jdy s PHE 89 Cb -0.11 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 2jdy s PHE 89 CO 0.01 -0.34 0.03 0.00 0.70 0.00 0.00 175.22 175.62 2jdy s ALA 90 N 0.95 3.06 -0.06 5.36 0.00 0.13 -0.43 121.76 130.77 2jdy s ALA 90 Ca -0.09 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.81 2jdy s ALA 90 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 2jdy s ALA 90 CO 0.00 -0.40 -0.19 -0.51 0.00 0.00 0.00 175.76 174.67 2jdy s LEU 91 N 1.44 2.47 -0.03 0.00 1.43 0.43 -0.75 118.68 123.67 2jdy s LEU 91 Ca 0.05 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2jdy s LEU 91 Cb -0.15 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2jdy s LEU 91 CO 0.02 0.30 -0.08 -0.69 0.23 0.00 0.00 176.35 176.13 2jdy s VAL 92 N -0.45 0.71 0.29 -1.59 1.01 0.47 -2.00 120.40 118.85 2jdy s VAL 92 Ca 0.05 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 61.85 2jdy s VAL 92 Cb -0.12 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2jdy s VAL 92 CO 0.02 0.24 -0.17 -0.83 0.00 0.00 0.00 175.10 174.36 2jdy s GLY 93 N 0.42 1.93 -0.00 4.51 0.00 0.59 -0.91 107.32 113.87 2jdy s GLY 93 Ca -0.06 -1.91 -0.15 0.00 0.00 0.00 0.00 44.72 42.60 2jdy s GLY 93 CO 0.01 -1.97 0.32 -1.35 0.00 0.00 0.00 173.10 170.11 2jdy s SER 94 N -3.54 -0.20 -0.10 1.64 1.04 -0.71 -1.07 113.70 110.77 2jdy s SER 94 Ca 0.31 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2jdy s SER 94 Cb -0.04 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2jdy s SER 94 CO 0.16 -0.49 -0.16 -0.70 0.98 0.00 0.00 173.24 173.02 2jdy s GLU 95 N -1.57 2.30 0.00 4.02 2.56 -0.22 -1.91 118.70 123.88 2jdy s GLU 95 Ca -0.12 -0.60 0.10 0.00 0.00 0.00 0.00 54.97 54.35 2jdy s GLU 95 Cb -0.04 -1.89 0.12 0.00 2.00 0.00 0.00 34.13 34.32 2jdy s GLU 95 CO 0.03 -0.00 0.91 -0.40 -0.56 0.00 0.00 175.26 175.24 2jdy n ASP 96 N 4.00 2.07 0.00 -1.70 5.68 -1.26 -1.91 116.55 123.43 2jdy n ASP 96 Ca -0.20 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 2jdy n ASP 96 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2jdy n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdy n GLY 97 N 0.56 5.42 0.00 6.12 0.00 -1.26 -5.08 105.19 110.96 2jdy n GLY 97 Ca 0.07 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.31 2jdy n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdy n THR 98 N 0.00 0.00 0.70 2.61 -2.24 -1.26 -4.72 114.28 109.38 2jdy n THR 98 Ca 0.00 -0.29 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2jdy n THR 98 Cb 0.00 0.77 0.45 0.00 -2.10 0.00 0.00 70.33 69.45 2jdy n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdy n ASP 99 N -1.27 0.65 -3.87 3.42 5.75 -1.26 -4.94 116.55 115.03 2jdy n ASP 99 Ca 0.00 0.56 -0.29 0.00 -0.01 0.00 0.00 54.79 55.05 2jdy n ASP 99 Cb 0.05 -0.73 0.03 0.00 -1.03 0.00 0.00 41.12 39.44 2jdy n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdy n ASN 100 N -2.11 -4.26 0.11 -1.12 3.02 -1.26 -4.89 115.26 104.75 2jdy n ASN 100 Ca 0.06 -0.78 0.13 0.00 -0.03 0.00 0.00 54.58 53.96 2jdy n ASN 100 Cb 0.41 -3.94 0.33 0.00 -0.61 0.00 0.00 39.78 35.97 2jdy n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdy h ASP 101 N -2.08 0.00 -2.05 6.41 2.03 -1.93 -3.48 116.42 115.33 2jdy h ASP 101 Ca -0.59 -0.04 -0.30 0.00 -0.73 0.00 0.00 57.03 55.38 2jdy h ASP 101 Cb 1.37 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.79 2jdy h ASP 101 CO 0.65 0.02 -0.31 -1.22 -1.03 0.00 0.00 179.24 177.35 2jdy n TYR 102 N -2.32 -0.62 0.19 4.15 4.01 -1.26 -4.81 117.16 116.49 2jdy n TYR 102 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.84 2jdy n TYR 102 Cb 0.44 -2.87 0.08 0.00 -0.31 0.00 0.00 39.34 36.68 2jdy n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jdy n ASN 103 N -1.06 2.25 -0.28 7.72 6.94 -1.17 -1.74 115.26 127.92 2jdy n ASN 103 Ca -0.16 -1.66 -0.03 0.00 -0.02 0.00 0.00 54.58 52.72 2jdy n ASN 103 Cb 0.53 -0.09 0.09 0.00 -2.36 0.00 0.00 39.78 37.96 2jdy n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jdy h ASP 104 N 1.94 0.85 -3.42 0.53 3.32 -1.52 -3.26 116.42 114.86 2jdy h ASP 104 Ca 0.00 -0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.54 2jdy h ASP 104 Cb 0.54 -0.19 -0.34 0.00 0.22 0.00 0.00 39.33 39.56 2jdy h ASP 104 CO 0.00 0.59 -0.81 0.00 -1.72 0.00 0.00 179.24 177.30 2jdy s ALA 105 N -6.11 1.17 -0.11 3.45 0.00 -1.26 -1.36 121.76 117.54 2jdy s ALA 105 Ca -0.13 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2jdy s ALA 105 Cb 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jdy s ALA 105 CO 0.78 0.08 -0.17 0.08 0.00 0.00 0.00 175.76 176.53 2jdy s VAL 106 N 0.74 2.76 -0.07 0.00 1.01 -0.05 -2.48 120.40 122.31 2jdy s VAL 106 Ca -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2jdy s VAL 106 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2jdy s VAL 106 CO 0.03 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.79 2jdy s VAL 107 N 0.14 1.66 -0.13 2.92 1.01 -0.09 -0.03 120.40 125.89 2jdy s VAL 107 Ca -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2jdy s VAL 107 Cb -0.15 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2jdy s VAL 107 CO 0.05 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 2jdy s VAL 108 N 0.32 1.96 -0.13 2.92 1.01 0.14 -0.39 120.40 126.22 2jdy s VAL 108 Ca -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 2jdy s VAL 108 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2jdy s VAL 108 CO 0.06 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 175.00 2jdy s ILE 109 N 0.77 3.71 -0.00 2.22 1.01 0.07 -1.11 121.20 127.86 2jdy s ILE 109 Ca -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2jdy s ILE 109 Cb -0.16 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 2jdy s ILE 109 CO -0.00 0.52 -0.08 0.54 0.00 0.00 0.00 174.94 175.92 2jdy s ASN 110 N 0.12 0.97 0.14 3.58 4.22 -0.29 -0.69 114.94 122.99 2jdy s ASN 110 Ca -0.02 -0.18 -0.19 0.00 -2.14 0.00 0.00 52.86 50.33 2jdy s ASN 110 Cb -0.14 -0.10 0.05 0.00 1.28 0.00 0.00 41.25 42.34 2jdy s ASN 110 CO 0.03 0.08 0.49 -1.66 -2.04 0.00 0.00 177.10 174.00 2jdy s TRP 111 N -0.27 -0.34 0.74 1.54 -2.14 -0.85 -0.82 118.94 116.81 2jdy s TRP 111 Ca 0.03 0.06 -0.12 0.00 2.66 0.00 0.00 56.10 58.73 2jdy s TRP 111 Cb -0.04 0.39 0.04 0.00 -3.10 0.00 0.00 33.47 30.76 2jdy s TRP 111 CO -0.00 -0.77 1.11 -1.25 -2.66 0.00 0.00 176.95 173.38 2jdy s PRO 112 N -3.78 2.54 0.47 3.25 0.04 -1.26 -0.16 135.00 136.09 2jdy s PRO 112 Ca 0.02 0.46 0.07 0.00 0.04 0.00 0.00 61.00 61.60 2jdy s PRO 112 Cb 0.01 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2jdy s PRO 112 CO -0.12 -1.26 0.45 -0.51 0.04 0.00 0.00 177.00 175.60 2jdy s LEU 113 N -5.50 3.19 0.00 -3.56 1.43 -1.26 -4.99 118.68 107.99 2jdy s LEU 113 Ca 0.59 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2jdy s LEU 113 Cb -0.12 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2jdy s LEU 113 CO 0.52 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.84