#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdy n THR 2 N 0.00 1.21 -4.24 0.00 -1.04 -1.26 -5.03 114.28 103.93 2jdy n THR 2 Ca 0.00 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.05 61.54 2jdy n THR 2 Cb 0.00 -1.99 -0.11 0.00 -1.82 0.00 0.00 70.33 66.41 2jdy n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdy s GLN 3 N -0.82 1.02 -0.07 -2.82 -1.52 -1.26 -4.81 119.66 109.37 2jdy s GLN 3 Ca 0.62 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 2jdy s GLN 3 Cb -0.48 -0.79 0.00 0.00 -0.22 0.00 0.00 33.01 31.51 2jdy s GLN 3 CO 0.51 0.14 0.00 0.41 -0.25 0.00 0.00 175.29 176.10 2jdy n GLY 4 N 0.32 0.48 3.43 3.09 0.00 -1.26 -4.90 105.19 106.34 2jdy n GLY 4 Ca -0.14 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.95 3.44 -0.01 1.61 1.01 -1.26 -0.51 120.40 122.73 2jdy s VAL 5 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2jdy s VAL 5 Cb 0.00 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2jdy s VAL 5 CO 0.00 0.51 -0.06 -0.36 0.00 0.00 0.00 175.10 175.18 2jdy s PHE 6 N 0.36 0.60 -0.34 5.22 0.08 0.30 -5.01 117.98 119.19 2jdy s PHE 6 Ca -0.08 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 2jdy s PHE 6 Cb -0.15 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 2jdy s PHE 6 CO 0.04 -0.02 0.40 0.99 -0.10 0.00 0.00 175.22 176.54 2jdy s THR 7 N -0.10 5.13 0.27 0.64 2.01 -1.26 -1.15 115.64 121.17 2jdy s THR 7 Ca 0.02 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2jdy s THR 7 Cb -0.03 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2jdy s THR 7 CO -0.00 -0.13 0.35 -0.76 -0.69 0.00 0.00 174.62 173.39 2jdy s LEU 8 N 2.11 4.08 0.56 4.42 1.02 0.72 -5.03 118.68 126.58 2jdy s LEU 8 Ca 0.14 -0.10 -0.21 0.00 0.02 0.00 0.00 54.13 53.98 2jdy s LEU 8 Cb -0.16 -2.68 -0.04 0.00 0.02 0.00 0.00 46.19 43.33 2jdy s LEU 8 CO 0.12 -0.17 1.36 -0.81 0.02 0.00 0.00 176.35 176.87 2jdy n PRO 9 N -1.41 1.61 -1.98 1.29 -0.04 -1.26 -4.48 135.00 128.73 2jdy n PRO 9 Ca -0.06 0.60 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 2jdy n PRO 9 Cb 0.58 -2.58 0.03 0.00 -0.04 0.00 0.00 33.50 31.49 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 -1.30 2.64 -1.45 0.55 0.00 -1.26 -3.66 121.76 117.27 2jdy s ALA 10 Ca 0.73 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 2jdy s ALA 10 Cb -0.41 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.29 2jdy s ALA 10 CO 0.48 -1.17 0.75 0.09 0.00 0.00 0.00 175.76 175.91 2jdy n ASN 11 N -1.37 -5.05 -4.39 0.00 3.02 0.83 -4.89 115.26 103.42 2jdy n ASN 11 Ca 0.12 -0.50 -0.33 0.00 -0.03 0.00 0.00 54.58 53.85 2jdy n ASN 11 Cb 0.48 -4.07 -0.14 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.16 3.10 0.14 3.41 2.01 -1.24 -4.84 115.64 115.06 2jdy s THR 12 Ca 0.48 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 2jdy s THR 12 Cb -0.23 -2.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.91 2jdy s THR 12 CO 0.59 0.53 1.18 -0.13 -0.69 0.00 0.00 174.62 176.10 2jdy s ARG 13 N 0.20 4.50 0.10 4.92 0.52 -1.26 -1.26 118.95 126.68 2jdy s ARG 13 Ca -0.08 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 56.96 2jdy s ARG 13 Cb -0.15 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 2jdy s ARG 13 CO 0.05 -0.10 -0.08 -0.59 0.02 0.00 0.00 175.30 174.60 2jdy s PHE 14 N 0.26 0.96 -0.03 -0.53 -0.71 0.05 -4.08 117.98 113.89 2jdy s PHE 14 Ca 0.54 -0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 55.52 2jdy s PHE 14 Cb -0.31 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 40.92 2jdy s PHE 14 CO 0.34 -0.08 0.27 0.20 -1.34 0.00 0.00 175.22 174.61 2jdy s GLY 15 N -2.84 2.29 -0.04 1.99 0.00 -0.20 -1.28 107.32 107.24 2jdy s GLY 15 Ca 0.10 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.34 2jdy s GLY 15 CO -0.03 -0.22 -0.04 0.54 0.00 0.00 0.00 173.10 173.35 2jdy s VAL 16 N -1.15 0.49 -0.01 1.40 0.11 -0.36 -1.27 120.40 119.61 2jdy s VAL 16 Ca 0.22 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2jdy s VAL 16 Cb -0.14 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2jdy s VAL 16 CO 0.11 0.22 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.16 2jdy s THR 17 N 0.95 0.43 0.04 5.04 2.01 -0.34 -1.20 115.64 122.57 2jdy s THR 17 Ca -0.11 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.78 2jdy s THR 17 Cb -0.14 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 2jdy s THR 17 CO -0.00 0.14 -0.21 0.00 -0.69 0.00 0.00 174.62 173.85 2jdy s ALA 18 N 0.14 1.82 0.13 7.40 0.00 -0.02 -0.95 121.76 130.28 2jdy s ALA 18 Ca -0.01 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2jdy s ALA 18 Cb -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2jdy s ALA 18 CO -0.00 0.41 -0.20 -0.06 0.00 0.00 0.00 175.76 175.91 2jdy s PHE 19 N -0.79 1.78 -0.01 0.00 0.08 0.16 -0.37 117.98 118.82 2jdy s PHE 19 Ca 0.08 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.77 2jdy s PHE 19 Cb -0.09 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2jdy s PHE 19 CO 0.02 0.25 -0.25 0.00 -0.10 0.00 0.00 175.22 175.13 2jdy s ALA 20 N -1.53 2.11 -0.41 5.36 0.00 -0.84 -1.06 121.76 125.39 2jdy s ALA 20 Ca 0.10 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2jdy s ALA 20 Cb -0.08 -0.53 0.24 0.00 0.00 0.00 0.00 23.12 22.75 2jdy s ALA 20 CO 0.05 0.52 0.57 0.09 0.00 0.00 0.00 175.76 176.99 2jdy n ASN 21 N 2.41 -0.57 -3.52 0.00 3.02 -0.38 -1.84 115.26 114.38 2jdy n ASN 21 Ca -0.16 -2.77 -0.14 0.00 -0.03 0.00 0.00 54.58 51.48 2jdy n ASN 21 Cb 0.51 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.07 -0.53 0.38 6.41 0.15 0.47 -3.96 113.70 115.54 2jdy s SER 22 Ca 0.34 0.47 0.18 0.00 0.70 0.00 0.00 55.95 57.64 2jdy s SER 22 Cb 0.16 0.46 0.73 0.00 -1.71 0.00 0.00 66.02 65.66 2jdy s SER 22 CO -0.14 -0.58 1.77 0.77 1.20 0.00 0.00 173.24 176.26 2jdy h SER 23 N 2.65 0.00 -3.91 5.45 4.64 -1.96 -3.32 113.55 117.09 2jdy h SER 23 Ca -0.25 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.61 2jdy h SER 23 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jdy h SER 23 CO 0.36 0.37 0.35 0.20 -0.87 0.00 0.00 176.83 177.23 2jdy s ASN 24 N -6.50 7.27 0.04 4.97 0.01 -1.26 -4.94 114.94 114.53 2jdy s ASN 24 Ca -0.01 1.82 -0.30 0.00 -0.71 0.00 0.00 52.86 53.66 2jdy s ASN 24 Cb 0.12 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 2jdy s ASN 24 CO 0.69 -0.12 1.27 -0.89 -1.51 0.00 0.00 177.10 176.54 2jdy s THR 25 N -1.70 3.89 0.04 1.60 2.01 -1.26 -4.73 115.64 115.49 2jdy s THR 25 Ca 0.52 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 2jdy s THR 25 Cb -0.17 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2jdy s THR 25 CO 0.22 0.07 0.37 -1.10 -0.69 0.00 0.00 174.62 173.49 2jdy s GLN 26 N 1.48 3.75 -0.18 4.92 -1.52 -0.17 -4.57 119.66 123.36 2jdy s GLN 26 Ca 0.60 0.18 0.01 0.00 -1.95 0.00 0.00 55.36 54.20 2jdy s GLN 26 Cb -0.30 -3.07 0.02 0.00 -0.22 0.00 0.00 33.01 29.44 2jdy s GLN 26 CO 0.28 0.61 -0.19 0.99 -0.25 0.00 0.00 175.29 176.73 2jdy s THR 27 N -1.29 2.04 -0.21 -0.19 2.01 -0.38 -2.35 115.64 115.27 2jdy s THR 27 Ca 0.29 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2jdy s THR 27 Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 2jdy s THR 27 CO 0.16 0.50 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.86 2jdy s VAL 28 N 1.29 3.50 -0.14 3.82 1.01 0.53 -0.91 120.40 129.49 2jdy s VAL 28 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2jdy s VAL 28 Cb -0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2jdy s VAL 28 CO -0.12 0.43 -0.07 0.20 0.00 0.00 0.00 175.10 175.53 2jdy s ASN 29 N 1.30 4.50 -0.28 3.32 0.01 0.40 -0.56 114.94 123.62 2jdy s ASN 29 Ca 0.04 -0.20 -0.06 0.00 -0.71 0.00 0.00 52.86 51.93 2jdy s ASN 29 Cb -0.14 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.83 2jdy s ASN 29 CO -0.01 0.18 0.06 -0.69 -1.51 0.00 0.00 177.10 175.13 2jdy s VAL 30 N 0.29 3.89 -0.16 1.60 1.01 0.12 -0.72 120.40 126.43 2jdy s VAL 30 Ca -0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2jdy s VAL 30 Cb -0.15 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2jdy s VAL 30 CO 0.04 0.13 0.13 -0.76 0.00 0.00 0.00 175.10 174.64 2jdy s LEU 31 N 1.50 4.26 -0.13 3.92 1.02 0.12 -0.04 118.68 129.32 2jdy s LEU 31 Ca 0.03 0.32 0.02 0.00 0.02 0.00 0.00 54.13 54.52 2jdy s LEU 31 Cb -0.17 -2.07 0.01 0.00 0.02 0.00 0.00 46.19 43.98 2jdy s LEU 31 CO 0.02 0.28 -0.20 -0.69 0.02 0.00 0.00 176.35 175.78 2jdy s VAL 32 N -0.24 1.88 -1.42 -1.59 1.01 0.01 -0.97 120.40 119.07 2jdy s VAL 32 Ca 0.11 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2jdy s VAL 32 Cb -0.11 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.63 2jdy s VAL 32 CO 0.01 0.51 0.85 -3.20 0.00 0.00 0.00 175.10 173.27 2jdy n ASN 33 N 4.18 -3.08 0.00 3.32 5.15 -0.83 -2.23 115.26 121.77 2jdy n ASN 33 Ca -0.20 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2jdy n ASN 33 Cb 0.51 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.77 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 -2.95 -3.65 -4.36 1.20 4.13 -1.26 -4.99 115.26 103.39 2jdy n ASN 34 Ca -0.13 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.83 2jdy n ASN 34 Cb 0.60 -2.22 -0.15 0.00 -1.54 0.00 0.00 39.78 36.47 2jdy n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jdy s GLU 35 N -1.12 1.98 -0.11 3.52 2.02 -0.95 -5.06 118.70 118.99 2jdy s GLU 35 Ca 0.00 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 53.69 2jdy s GLU 35 Cb 0.00 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 2jdy s GLU 35 CO 0.00 0.54 1.80 0.99 0.02 0.00 0.00 175.26 178.61 2jdy s THR 36 N -0.75 3.40 -0.14 3.63 2.01 -1.26 -0.81 115.64 121.71 2jdy s THR 36 Ca 0.11 0.46 0.17 0.00 0.31 0.00 0.00 61.69 62.74 2jdy s THR 36 Cb -0.10 -3.36 -0.24 0.00 0.01 0.00 0.00 72.50 68.80 2jdy s THR 36 CO 0.01 -0.12 0.15 0.00 -0.69 0.00 0.00 174.62 173.97 2jdy n ALA 37 N 8.37 1.83 -3.34 7.40 0.00 0.95 -4.90 120.51 130.81 2jdy n ALA 37 Ca 0.20 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 2jdy n ALA 37 Cb 0.43 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.64 -1.13 -0.03 0.00 0.00 -0.99 -5.01 121.76 111.96 2jdy s ALA 38 Ca -0.08 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2jdy s ALA 38 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2jdy s ALA 38 CO 0.75 -0.29 -0.04 0.95 0.00 0.00 0.00 175.76 177.13 2jdy s THR 39 N -1.10 0.46 0.03 0.00 -4.23 -1.26 -0.71 115.64 108.83 2jdy s THR 39 Ca -0.11 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 2jdy s THR 39 Cb -0.03 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 2jdy s THR 39 CO 0.06 0.19 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.76 2jdy s PHE 40 N 0.65 1.75 0.03 3.99 0.08 0.28 -4.99 117.98 119.76 2jdy s PHE 40 Ca -0.08 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.46 2jdy s PHE 40 Cb -0.11 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2jdy s PHE 40 CO -0.00 0.05 0.33 -1.54 -0.10 0.00 0.00 175.22 173.96 2jdy s SER 41 N -0.96 -0.17 0.00 1.36 1.04 -1.25 -0.35 113.70 113.37 2jdy s SER 41 Ca 0.07 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2jdy s SER 41 Cb -0.08 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2jdy s SER 41 CO 0.01 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2jdy n GLY 42 N 0.75 -0.34 2.81 7.32 0.00 -0.99 -4.85 105.19 109.89 2jdy n GLY 42 Ca -0.19 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.02 -0.16 1.61 -0.44 -1.26 -1.00 119.66 116.39 2jdy s GLN 43 Ca 0.00 0.13 -0.29 0.00 -2.50 0.00 0.00 55.36 52.70 2jdy s GLN 43 Cb 0.00 -0.15 0.10 0.00 -1.64 0.00 0.00 33.01 31.32 2jdy s GLN 43 CO 0.00 -0.11 0.86 0.45 0.50 0.00 0.00 175.29 177.00 2jdy s SER 44 N 0.68 -0.53 -0.08 6.67 0.15 -1.25 -5.00 113.70 114.34 2jdy s SER 44 Ca -0.06 0.73 0.14 0.00 0.70 0.00 0.00 55.95 57.47 2jdy s SER 44 Cb -0.08 0.64 0.47 0.00 -1.71 0.00 0.00 66.02 65.34 2jdy s SER 44 CO -0.02 -0.38 1.39 0.35 1.20 0.00 0.00 173.24 175.78 2jdy n THR 45 N 1.33 1.57 -1.81 6.45 -2.24 -1.26 -0.40 114.28 117.92 2jdy n THR 45 Ca -0.14 -1.31 0.06 0.00 -2.27 0.00 0.00 64.05 60.38 2jdy n THR 45 Cb 0.57 0.19 0.14 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.35 1.51 -1.89 3.42 3.02 -1.26 -4.83 115.26 115.58 2jdy n ASN 46 Ca 0.18 -3.25 -0.18 0.00 -0.03 0.00 0.00 54.58 51.30 2jdy n ASN 46 Cb 0.67 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.67 -5.22 -4.77 6.41 5.15 -0.76 -4.94 115.26 110.44 2jdy n ASN 47 Ca 0.15 0.09 -0.41 0.00 -0.60 0.00 0.00 54.58 53.81 2jdy n ASN 47 Cb 0.81 -4.30 -0.01 0.00 -0.53 0.00 0.00 39.78 35.75 2jdy n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdy s ALA 48 N -2.84 3.58 -0.13 5.20 0.00 -1.23 -4.58 121.76 121.75 2jdy s ALA 48 Ca 0.00 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 2jdy s ALA 48 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2jdy s ALA 48 CO 0.00 -0.98 1.54 0.08 0.00 0.00 0.00 175.76 176.41 2jdy s VAL 49 N -1.01 3.79 -1.99 0.00 1.01 -1.26 -1.98 120.40 118.96 2jdy s VAL 49 Ca 0.53 0.94 0.23 0.00 0.00 0.00 0.00 61.98 63.69 2jdy s VAL 49 Cb -0.45 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2jdy s VAL 49 CO 0.60 -0.15 1.16 2.30 0.00 0.00 0.00 175.10 179.01 2jdy n ILE 50 N 5.72 0.00 0.00 2.22 -5.35 0.50 -4.98 119.36 117.46 2jdy n ILE 50 Ca 0.17 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2jdy n ILE 50 Cb 0.44 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 2jdy n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jdy n GLY 51 N 1.41 1.64 3.30 3.28 0.00 -1.22 -3.84 105.19 109.75 2jdy n GLY 51 Ca 0.10 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2jdy n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jdy s THR 52 N -2.00 0.01 0.09 2.61 -1.32 -1.26 -0.84 115.64 112.93 2jdy s THR 52 Ca 0.00 -0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.20 2jdy s THR 52 Cb 0.00 -0.59 0.06 0.00 -1.51 0.00 0.00 72.50 70.46 2jdy s THR 52 CO 0.00 -0.03 0.54 -1.58 -2.21 0.00 0.00 174.62 171.34 2jdy s GLN 53 N -0.01 1.12 -0.20 7.08 0.74 -0.34 -5.01 119.66 123.04 2jdy s GLN 53 Ca -0.02 -0.36 -0.06 0.00 0.05 0.00 0.00 55.36 54.97 2jdy s GLN 53 Cb -0.03 0.51 -0.03 0.00 1.10 0.00 0.00 33.01 34.56 2jdy s GLN 53 CO 0.01 -0.44 0.02 0.08 -0.55 0.00 0.00 175.29 174.42 2jdy s VAL 54 N -3.03 4.22 0.34 1.34 1.01 -1.26 -1.23 120.40 121.79 2jdy s VAL 54 Ca -0.02 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2jdy s VAL 54 Cb -0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 2jdy s VAL 54 CO -0.06 0.43 -0.01 -0.76 0.00 0.00 0.00 175.10 174.69 2jdy s LEU 55 N 0.89 2.56 -0.12 3.92 1.43 -0.41 -4.96 118.68 121.99 2jdy s LEU 55 Ca 0.02 -1.30 -0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2jdy s LEU 55 Cb -0.14 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2jdy s LEU 55 CO 0.02 -0.43 -0.12 0.21 0.23 0.00 0.00 176.35 176.26 2jdy s ASN 56 N -3.56 4.10 0.24 2.29 3.84 -1.26 -0.77 114.94 119.81 2jdy s ASN 56 Ca 0.34 -0.29 0.22 0.00 0.21 0.00 0.00 52.86 53.34 2jdy s ASN 56 Cb 0.07 -1.56 0.95 0.00 -0.55 0.00 0.00 41.25 40.16 2jdy s ASN 56 CO 0.15 0.18 1.68 -1.54 -2.79 0.00 0.00 177.10 174.78 2jdy n SER 57 N 3.41 0.59 -0.24 -4.21 3.41 -0.39 -4.91 113.62 111.28 2jdy n SER 57 Ca -0.18 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2jdy n SER 57 Cb 0.53 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.09 0.17 5.00 0.00 -1.26 -2.34 105.19 106.71 2jdy n GLY 58 Ca 0.02 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.22 2jdy n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jdy h SER 59 N 0.00 0.00 0.62 1.61 0.02 -1.94 0.24 113.55 114.09 2jdy h SER 59 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2jdy h SER 59 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2jdy h SER 59 CO 0.00 0.00 -1.43 0.77 -1.14 0.00 0.00 176.83 175.03 2jdy h SER 60 N 0.00 0.17 0.00 3.07 4.64 -1.98 -3.47 113.55 115.98 2jdy h SER 60 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2jdy h SER 60 Cb 0.77 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2jdy h SER 60 CO 0.00 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2jdy n GLY 61 N 1.55 0.58 3.61 -0.77 0.00 -0.99 -4.89 105.19 104.28 2jdy n GLY 61 Ca -0.12 0.00 -0.41 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 -0.42 3.96 -0.11 1.61 2.20 -1.26 -0.20 119.74 125.52 2jdy s LYS 62 Ca 0.00 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 56.10 2jdy s LYS 62 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2jdy s LYS 62 CO 0.00 -0.58 -0.23 0.08 -0.36 0.00 0.00 175.35 174.26 2jdy s VAL 63 N 2.72 2.02 -0.05 4.02 1.01 -0.30 -1.97 120.40 127.83 2jdy s VAL 63 Ca 0.28 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2jdy s VAL 63 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2jdy s VAL 63 CO 0.11 0.55 -0.13 -1.58 0.00 0.00 0.00 175.10 174.05 2jdy s GLN 64 N 0.44 1.63 -0.20 2.72 0.74 -0.14 -0.53 119.66 124.31 2jdy s GLN 64 Ca -0.17 -0.45 -0.09 0.00 0.05 0.00 0.00 55.36 54.70 2jdy s GLN 64 Cb -0.17 -1.38 -0.05 0.00 1.10 0.00 0.00 33.01 32.51 2jdy s GLN 64 CO 0.07 0.09 0.11 0.08 -0.55 0.00 0.00 175.29 175.09 2jdy s VAL 65 N 0.44 5.10 -0.01 1.34 1.01 0.34 0.10 120.40 128.74 2jdy s VAL 65 Ca -0.11 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2jdy s VAL 65 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2jdy s VAL 65 CO 0.03 0.42 -0.21 -1.10 0.00 0.00 0.00 175.10 174.24 2jdy s GLN 66 N 0.57 1.64 -0.04 2.72 -0.21 0.11 -4.74 119.66 119.71 2jdy s GLN 66 Ca 0.06 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 54.69 2jdy s GLN 66 Cb -0.12 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2jdy s GLN 66 CO 0.01 0.44 -0.15 0.08 -2.12 0.00 0.00 175.29 173.54 2jdy s VAL 67 N -0.55 1.28 0.03 1.09 1.01 -1.26 -0.45 120.40 121.55 2jdy s VAL 67 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jdy s VAL 67 Cb -0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2jdy s VAL 67 CO -0.00 0.38 0.05 -0.94 0.00 0.00 0.00 175.10 174.58 2jdy s SER 68 N 0.16 0.24 -0.05 3.32 1.04 -0.09 -0.41 113.70 117.91 2jdy s SER 68 Ca -0.05 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 2jdy s SER 68 Cb -0.12 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2jdy s SER 68 CO 0.02 -0.47 0.00 -0.69 0.98 0.00 0.00 173.24 173.08 2jdy s VAL 69 N -2.54 0.25 -1.49 5.02 1.01 -0.41 -1.25 120.40 121.00 2jdy s VAL 69 Ca -0.06 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2jdy s VAL 69 Cb -0.02 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 36.06 2jdy s VAL 69 CO -0.05 0.20 0.79 0.59 0.00 0.00 0.00 175.10 176.64 2jdy n ASN 70 N 4.69 -4.43 0.00 3.32 5.03 -1.26 -1.32 115.26 121.29 2jdy n ASN 70 Ca -0.15 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.63 2jdy n ASN 70 Cb 0.50 -3.58 0.00 0.00 -1.02 0.00 0.00 39.78 35.68 2jdy n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jdy n GLY 71 N -1.49 2.02 3.63 7.41 0.00 -1.26 -5.01 105.19 110.49 2jdy n GLY 71 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.04 4.02 0.25 1.61 0.52 -0.43 -5.05 118.95 119.82 2jdy s ARG 72 Ca 0.00 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 2jdy s ARG 72 Cb 0.00 -3.60 -0.11 0.00 0.52 0.00 0.00 34.95 31.76 2jdy s ARG 72 CO 0.00 -0.07 1.63 -2.14 0.02 0.00 0.00 175.30 174.74 2jdy s PRO 73 N 1.43 4.14 0.59 3.54 0.02 -1.26 -1.28 135.00 142.17 2jdy s PRO 73 Ca 0.08 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.51 2jdy s PRO 73 Cb -0.15 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 2jdy s PRO 73 CO 0.08 -0.66 1.02 -1.12 -0.33 0.00 0.00 177.00 175.99 2jdy s SER 74 N 0.79 6.25 0.01 2.53 0.01 0.45 -4.91 113.70 118.83 2jdy s SER 74 Ca 0.68 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.16 2jdy s SER 74 Cb -0.48 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.22 2jdy s SER 74 CO 0.40 -0.85 1.15 -0.62 0.41 0.00 0.00 173.24 173.73 2jdy s ASP 75 N -3.64 7.14 0.05 2.44 2.15 -0.73 -4.83 116.67 119.25 2jdy s ASP 75 Ca 0.57 1.88 0.01 0.00 0.43 0.00 0.00 52.55 55.44 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 0.12 -0.76 -0.17 0.00 0.00 175.17 174.36 2jdy s LEU 76 N 1.36 4.02 0.03 -1.34 1.43 -1.26 -0.97 118.68 121.94 2jdy s LEU 76 Ca 0.56 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 2jdy s LEU 76 Cb -0.26 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2jdy s LEU 76 CO 0.27 0.20 -0.16 0.68 0.23 0.00 0.00 176.35 177.58 2jdy s VAL 77 N -1.37 1.23 0.13 -1.59 -7.23 -0.43 -4.83 120.40 106.32 2jdy s VAL 77 Ca 0.29 -0.93 -0.21 0.00 -1.81 0.00 0.00 61.98 59.33 2jdy s VAL 77 Cb -0.12 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.79 2jdy s VAL 77 CO 0.21 0.14 0.52 -0.94 -0.31 0.00 0.00 175.10 174.72 2jdy s SER 78 N -0.91 -0.44 0.14 4.85 1.04 -1.26 -0.60 113.70 116.52 2jdy s SER 78 Ca 0.04 -0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 2jdy s SER 78 Cb -0.07 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.66 2jdy s SER 78 CO 0.01 -0.89 0.71 0.00 0.98 0.00 0.00 173.24 174.05 2jdy s ALA 79 N -3.58 -1.61 -0.07 5.32 0.00 -0.90 -4.91 121.76 116.02 2jdy s ALA 79 Ca 0.01 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2jdy s ALA 79 Cb 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2jdy s ALA 79 CO -0.11 -0.81 -0.17 -1.14 0.00 0.00 0.00 175.76 173.53 2jdy s GLN 80 N -3.59 2.70 -0.03 0.00 0.74 -1.26 -1.01 119.66 117.21 2jdy s GLN 80 Ca 0.04 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 54.75 2jdy s GLN 80 Cb -0.02 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 2jdy s GLN 80 CO -0.08 0.47 -0.18 0.08 -0.55 0.00 0.00 175.29 175.03 2jdy s VAL 81 N -0.34 1.45 -0.13 1.34 1.01 0.04 -4.99 120.40 118.78 2jdy s VAL 81 Ca 0.03 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2jdy s VAL 81 Cb -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2jdy s VAL 81 CO 0.02 0.41 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 2jdy s ILE 82 N -0.13 1.84 -0.09 2.22 1.01 -1.26 -0.82 121.20 123.97 2jdy s ILE 82 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2jdy s ILE 82 Cb -0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2jdy s ILE 82 CO 0.01 0.51 -0.01 -0.76 0.00 0.00 0.00 174.94 174.69 2jdy s LEU 83 N 0.86 3.50 -0.87 2.97 1.43 0.16 -4.53 118.68 122.21 2jdy s LEU 83 Ca -0.07 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2jdy s LEU 83 Cb -0.15 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.33 2jdy s LEU 83 CO -0.01 0.35 0.25 1.07 0.23 0.00 0.00 176.35 178.25 2jdy n THR 84 N 2.30 -0.36 -1.89 5.49 5.66 -1.26 -1.20 114.28 123.01 2jdy n THR 84 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 2jdy n THR 84 Cb 0.53 -0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 68.41 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 -1.95 -5.38 0.00 1.09 5.15 -1.26 -4.72 115.26 108.19 2jdy n ASN 85 Ca -0.00 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2jdy n ASN 85 Cb 0.52 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 35.10 2jdy n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jdy n GLU 86 N -2.57 0.00 -3.68 1.20 -0.58 -0.35 -5.08 120.64 109.59 2jdy n GLU 86 Ca -0.21 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.16 2jdy n GLU 86 Cb 0.66 -0.39 -0.11 0.00 -0.57 0.00 0.00 31.44 31.03 2jdy n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jdy s LEU 87 N -3.78 3.87 -0.14 -4.62 2.96 -0.55 -4.48 118.68 111.95 2jdy s LEU 87 Ca 0.00 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2jdy s LEU 87 Cb 0.00 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2jdy s LEU 87 CO 0.00 -0.01 0.01 0.20 -1.32 0.00 0.00 176.35 175.23 2jdy s ASN 88 N 1.50 5.19 -0.10 3.68 -0.87 -0.17 -0.66 114.94 123.50 2jdy s ASN 88 Ca 0.07 0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.42 2jdy s ASN 88 Cb -0.15 -1.74 0.00 0.00 -0.02 0.00 0.00 41.25 39.34 2jdy s ASN 88 CO 0.07 0.24 -0.22 -0.36 -2.57 0.00 0.00 177.10 174.26 2jdy s PHE 89 N -0.05 2.41 -0.23 2.20 0.40 0.00 -2.31 117.98 120.41 2jdy s PHE 89 Ca 0.04 -1.03 -0.02 0.00 -0.60 0.00 0.00 56.93 55.32 2jdy s PHE 89 Cb -0.13 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2jdy s PHE 89 CO 0.02 -0.43 -0.07 0.00 0.70 0.00 0.00 175.22 175.43 2jdy s ALA 90 N 0.48 2.71 -0.07 5.36 0.00 0.10 -0.78 121.76 129.57 2jdy s ALA 90 Ca -0.16 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.55 2jdy s ALA 90 Cb -0.17 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2jdy s ALA 90 CO 0.06 -0.57 -0.17 -0.51 0.00 0.00 0.00 175.76 174.58 2jdy s LEU 91 N 1.40 2.56 -0.03 0.00 1.43 -0.18 -0.47 118.68 123.38 2jdy s LEU 91 Ca 0.04 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2jdy s LEU 91 Cb -0.15 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2jdy s LEU 91 CO -0.05 0.29 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 2jdy s VAL 92 N -0.39 0.61 0.32 -1.59 1.01 -0.01 -2.12 120.40 118.25 2jdy s VAL 92 Ca 0.04 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2jdy s VAL 92 Cb -0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2jdy s VAL 92 CO 0.02 0.22 -0.11 -0.83 0.00 0.00 0.00 175.10 174.40 2jdy s GLY 93 N 0.57 2.09 -0.03 4.51 0.00 0.23 -0.70 107.32 113.99 2jdy s GLY 93 Ca -0.08 -2.01 -0.14 0.00 0.00 0.00 0.00 44.72 42.48 2jdy s GLY 93 CO 0.00 -2.00 0.31 -1.35 0.00 0.00 0.00 173.10 170.07 2jdy s SER 94 N -3.59 -0.22 -0.13 1.64 1.04 -0.72 -1.31 113.70 110.41 2jdy s SER 94 Ca 0.32 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.95 2jdy s SER 94 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2jdy s SER 94 CO 0.16 -0.40 -0.21 -0.70 0.98 0.00 0.00 173.24 173.07 2jdy s GLU 95 N -1.11 2.93 0.00 4.02 2.56 -0.15 -1.83 118.70 125.13 2jdy s GLU 95 Ca -0.12 -0.82 0.12 0.00 0.00 0.00 0.00 54.97 54.15 2jdy s GLU 95 Cb -0.05 -2.35 0.12 0.00 2.00 0.00 0.00 34.13 33.85 2jdy s GLU 95 CO 0.04 0.01 0.92 -0.40 -0.56 0.00 0.00 175.26 175.26 2jdy n ASP 96 N 4.01 2.10 0.00 -1.70 5.68 -1.26 -1.78 116.55 123.60 2jdy n ASP 96 Ca -0.20 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2jdy n ASP 96 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 0.68 4.92 0.00 6.12 0.00 -1.26 -5.05 105.19 110.59 2jdy n GLY 97 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.98 2.61 -2.24 -1.26 -4.69 114.28 109.68 2jdy n THR 98 Ca 0.00 -0.44 0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2jdy n THR 98 Cb 0.00 1.05 0.29 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.54 0.45 -3.92 3.42 5.75 -1.26 -4.96 116.55 115.49 2jdy n ASP 99 Ca 0.00 -0.15 -0.30 0.00 -0.01 0.00 0.00 54.79 54.33 2jdy n ASP 99 Cb 0.01 0.16 0.02 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.53 -4.62 0.13 -1.12 3.02 -1.26 -4.87 115.26 105.01 2jdy n ASN 100 Ca 0.06 -0.79 0.12 0.00 -0.03 0.00 0.00 54.58 53.94 2jdy n ASN 100 Cb 0.34 -3.85 0.19 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.07 0.00 -2.34 6.41 2.03 -1.93 -3.48 116.42 115.04 2jdy h ASP 101 Ca -0.58 -0.05 -0.35 0.00 -0.73 0.00 0.00 57.03 55.32 2jdy h ASP 101 Cb 1.38 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.80 2jdy h ASP 101 CO 0.67 0.03 -0.39 -1.22 -1.03 0.00 0.00 179.24 177.30 2jdy n TYR 102 N -2.56 -0.71 0.01 4.15 4.01 -1.26 -4.82 117.16 115.98 2jdy n TYR 102 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2jdy n TYR 102 Cb 0.49 -3.27 0.04 0.00 -0.31 0.00 0.00 39.34 36.28 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 -1.48 1.95 -0.27 7.72 0.23 -1.13 -1.75 115.26 120.53 2jdy n ASN 103 Ca -0.19 -1.71 -0.02 0.00 -0.53 0.00 0.00 54.58 52.13 2jdy n ASN 103 Cb 0.61 -0.05 0.10 0.00 -2.08 0.00 0.00 39.78 38.36 2jdy n ASN 103 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jdy h ASP 104 N 0.64 0.77 -3.38 0.53 3.32 -1.49 -3.22 116.42 113.59 2jdy h ASP 104 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2jdy h ASP 104 Cb 0.43 -0.16 -0.34 0.00 0.22 0.00 0.00 39.33 39.47 2jdy h ASP 104 CO 0.00 0.52 -0.80 0.00 -1.72 0.00 0.00 179.24 177.24 2jdy s ALA 105 N -6.10 1.15 -0.14 3.45 0.00 -1.26 -1.25 121.76 117.62 2jdy s ALA 105 Ca -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2jdy s ALA 105 Cb 0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2jdy s ALA 105 CO 0.78 -0.03 -0.09 0.08 0.00 0.00 0.00 175.76 176.50 2jdy s VAL 106 N 0.95 3.44 -0.07 0.00 1.01 -0.22 -2.38 120.40 123.12 2jdy s VAL 106 Ca -0.10 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jdy s VAL 106 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2jdy s VAL 106 CO 0.00 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2jdy s VAL 107 N 0.27 1.60 -0.17 2.92 1.01 0.13 -0.67 120.40 125.49 2jdy s VAL 107 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2jdy s VAL 107 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2jdy s VAL 107 CO 0.04 0.46 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 2jdy s VAL 108 N 0.25 2.14 -0.12 2.92 1.01 -0.13 -0.83 120.40 125.64 2jdy s VAL 108 Ca -0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2jdy s VAL 108 Cb -0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2jdy s VAL 108 CO 0.05 0.54 -0.06 -0.63 0.00 0.00 0.00 175.10 174.99 2jdy s ILE 109 N 1.15 3.70 0.00 2.22 1.01 0.38 -1.20 121.20 128.46 2jdy s ILE 109 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2jdy s ILE 109 Cb -0.14 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 2jdy s ILE 109 CO -0.09 0.53 -0.03 0.54 0.00 0.00 0.00 174.94 175.89 2jdy s ASN 110 N 0.01 0.39 0.17 3.58 4.22 -0.39 0.03 114.94 122.93 2jdy s ASN 110 Ca -0.01 -0.11 -0.21 0.00 -2.14 0.00 0.00 52.86 50.39 2jdy s ASN 110 Cb -0.14 -0.03 0.05 0.00 1.28 0.00 0.00 41.25 42.42 2jdy s ASN 110 CO 0.03 0.00 0.56 -1.66 -2.04 0.00 0.00 177.10 174.00 2jdy s TRP 111 N -0.24 -0.38 0.76 1.54 -2.14 -0.98 -1.03 118.94 116.47 2jdy s TRP 111 Ca -0.01 0.11 -0.12 0.00 2.66 0.00 0.00 56.10 58.75 2jdy s TRP 111 Cb -0.02 0.50 0.05 0.00 -3.10 0.00 0.00 33.47 30.89 2jdy s TRP 111 CO -0.00 -0.87 1.11 -1.25 -2.66 0.00 0.00 176.95 173.28 2jdy s PRO 112 N -3.79 2.42 0.49 3.25 0.04 -1.26 -1.00 135.00 135.15 2jdy s PRO 112 Ca 0.04 0.43 0.07 0.00 0.04 0.00 0.00 61.00 61.57 2jdy s PRO 112 Cb -0.01 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2jdy s PRO 112 CO -0.09 -1.34 0.57 1.28 0.04 0.00 0.00 177.00 177.46 2jdy n LEU 113 N -3.20 0.00 0.00 -3.56 4.77 -1.26 -4.98 117.00 108.77 2jdy n LEU 113 Ca 0.07 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 2jdy n LEU 113 Cb 0.58 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2jdy n LEU 113 CO 0.57 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.61