#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdu s THR 2 N 0.00 2.14 0.13 0.00 2.01 -1.26 -5.02 115.64 113.64 2jdu s THR 2 Ca 0.00 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2jdu s THR 2 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2jdu s THR 2 CO 0.00 0.03 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.73 2jdu s GLN 3 N -1.40 1.04 -0.20 4.92 -1.52 -1.26 -4.84 119.66 116.41 2jdu s GLN 3 Ca 0.57 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2jdu s GLN 3 Cb -0.46 -0.82 0.00 0.00 -0.22 0.00 0.00 33.01 31.51 2jdu s GLN 3 CO 0.56 0.14 0.00 0.41 -0.25 0.00 0.00 175.29 176.15 2jdu n GLY 4 N 0.26 0.54 3.38 3.09 0.00 -1.26 -4.89 105.19 106.31 2jdu n GLY 4 Ca -0.13 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2jdu n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdu s VAL 5 N -1.97 2.99 -0.01 1.61 1.01 -1.26 -0.44 120.40 122.33 2jdu s VAL 5 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2jdu s VAL 5 Cb 0.00 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2jdu s VAL 5 CO 0.00 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.24 2jdu s PHE 6 N 0.20 0.41 -0.49 5.22 0.08 -0.08 -5.00 117.98 118.31 2jdu s PHE 6 Ca -0.08 -0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.70 2jdu s PHE 6 Cb -0.15 -0.33 0.05 0.00 -0.57 0.00 0.00 43.02 42.02 2jdu s PHE 6 CO 0.05 -0.06 0.63 0.99 -0.10 0.00 0.00 175.22 176.74 2jdu s THR 7 N 0.27 4.85 0.51 0.64 2.01 -1.26 -0.85 115.64 121.81 2jdu s THR 7 Ca -0.03 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2jdu s THR 7 Cb -0.06 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.17 2jdu s THR 7 CO -0.00 -0.76 0.77 -0.76 -0.69 0.00 0.00 174.62 173.17 2jdu s LEU 8 N 2.70 3.49 0.44 4.42 1.02 0.11 -4.99 118.68 125.87 2jdu s LEU 8 Ca 0.17 0.49 -0.26 0.00 0.02 0.00 0.00 54.13 54.55 2jdu s LEU 8 Cb -0.18 -3.35 -0.09 0.00 0.02 0.00 0.00 46.19 42.59 2jdu s LEU 8 CO 0.14 -0.83 1.40 -0.81 0.02 0.00 0.00 176.35 176.27 2jdu n PRO 9 N -2.28 2.22 -1.25 1.29 -0.04 -1.26 -4.37 135.00 129.31 2jdu n PRO 9 Ca 0.02 0.79 -0.32 0.00 -0.04 0.00 0.00 63.50 63.95 2jdu n PRO 9 Cb 0.57 -2.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.56 2jdu n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jdu s ALA 10 N -1.19 2.03 -1.48 0.55 0.00 -1.26 -3.65 121.76 116.76 2jdu s ALA 10 Ca 0.60 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 2jdu s ALA 10 Cb -0.47 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.34 2jdu s ALA 10 CO 0.58 -1.99 0.77 0.09 0.00 0.00 0.00 175.76 175.21 2jdu n ASN 11 N -3.25 -4.43 -4.27 0.00 3.02 0.63 -4.90 115.26 102.06 2jdu n ASN 11 Ca 0.12 -0.64 -0.32 0.00 -0.03 0.00 0.00 54.58 53.71 2jdu n ASN 11 Cb 0.52 -3.59 -0.16 0.00 -0.61 0.00 0.00 39.78 35.94 2jdu n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdu s THR 12 N -3.17 2.14 0.28 3.41 2.01 -1.24 -4.83 115.64 114.25 2jdu s THR 12 Ca 0.56 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 2jdu s THR 12 Cb -0.29 -1.79 -0.10 0.00 0.01 0.00 0.00 72.50 70.33 2jdu s THR 12 CO 0.69 0.57 1.18 -0.13 -0.69 0.00 0.00 174.62 176.24 2jdu s ARG 13 N -0.05 4.53 0.06 4.92 0.52 -1.26 -0.86 118.95 126.80 2jdu s ARG 13 Ca -0.07 1.95 -0.05 0.00 -0.52 0.00 0.00 55.73 57.04 2jdu s ARG 13 Cb -0.15 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2jdu s ARG 13 CO 0.05 0.03 0.08 -0.59 0.02 0.00 0.00 175.30 174.90 2jdu s PHE 14 N -0.96 0.29 0.09 -0.53 -0.71 -0.02 -4.26 117.98 111.88 2jdu s PHE 14 Ca 0.47 -0.71 -0.07 0.00 -1.04 0.00 0.00 56.93 55.59 2jdu s PHE 14 Cb -0.35 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.21 2jdu s PHE 14 CO 0.44 -0.42 0.36 0.20 -1.34 0.00 0.00 175.22 174.46 2jdu s GLY 15 N -2.59 2.28 -0.03 1.99 0.00 -0.50 -1.27 107.32 107.20 2jdu s GLY 15 Ca 0.02 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2jdu s GLY 15 CO -0.08 -0.34 -0.03 0.54 0.00 0.00 0.00 173.10 173.19 2jdu s VAL 16 N -1.48 0.35 -0.03 1.40 0.11 -0.57 -1.51 120.40 118.68 2jdu s VAL 16 Ca 0.35 -0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2jdu s VAL 16 Cb -0.13 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2jdu s VAL 16 CO 0.20 0.16 0.06 -0.89 -3.33 0.00 0.00 175.10 171.31 2jdu s THR 17 N 0.72 -0.02 -0.02 5.04 2.01 -0.35 -1.28 115.64 121.73 2jdu s THR 17 Ca -0.08 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.08 2jdu s THR 17 Cb -0.11 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 2jdu s THR 17 CO -0.01 0.03 -0.26 0.00 -0.69 0.00 0.00 174.62 173.70 2jdu s ALA 18 N 0.48 2.14 0.05 7.40 0.00 -0.35 -0.63 121.76 130.85 2jdu s ALA 18 Ca -0.04 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 50.91 2jdu s ALA 18 Cb -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2jdu s ALA 18 CO -0.02 0.51 -0.24 -0.06 0.00 0.00 0.00 175.76 175.96 2jdu s PHE 19 N -0.56 2.11 0.01 0.00 0.08 0.35 -0.61 117.98 119.35 2jdu s PHE 19 Ca 0.09 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.80 2jdu s PHE 19 Cb -0.10 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2jdu s PHE 19 CO -0.01 0.12 -0.19 0.00 -0.10 0.00 0.00 175.22 175.05 2jdu s ALA 20 N -0.82 2.53 -0.42 5.36 0.00 -0.59 -1.01 121.76 126.81 2jdu s ALA 20 Ca 0.10 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2jdu s ALA 20 Cb -0.10 -0.76 0.27 0.00 0.00 0.00 0.00 23.12 22.53 2jdu s ALA 20 CO 0.02 0.56 0.71 0.09 0.00 0.00 0.00 175.76 177.15 2jdu n ASN 21 N 1.91 -0.85 -3.55 0.00 3.02 -0.36 -1.48 115.26 113.95 2jdu n ASN 21 Ca -0.16 -3.01 -0.15 0.00 -0.03 0.00 0.00 54.58 51.22 2jdu n ASN 21 Cb 0.52 0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 2jdu n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdu s SER 22 N -1.53 -0.52 0.30 6.41 0.15 0.68 -4.14 113.70 115.05 2jdu s SER 22 Ca 0.34 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.62 2jdu s SER 22 Cb 0.23 0.50 1.08 0.00 -1.71 0.00 0.00 66.02 66.12 2jdu s SER 22 CO -0.14 -0.67 1.74 0.77 1.20 0.00 0.00 173.24 176.14 2jdu h SER 23 N 2.91 0.00 -2.87 5.45 4.64 -1.97 -3.34 113.55 118.37 2jdu h SER 23 Ca -0.29 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.40 2jdu h SER 23 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2jdu h SER 23 CO 0.40 0.00 -0.43 0.20 -0.87 0.00 0.00 176.83 176.13 2jdu s ASN 24 N -4.36 6.44 0.15 4.97 0.01 -1.26 -4.97 114.94 115.92 2jdu s ASN 24 Ca 0.03 0.47 -0.31 0.00 -0.71 0.00 0.00 52.86 52.33 2jdu s ASN 24 Cb 0.09 -2.05 -0.10 0.00 0.41 0.00 0.00 41.25 39.59 2jdu s ASN 24 CO 0.37 0.25 1.67 -0.89 -1.51 0.00 0.00 177.10 176.99 2jdu s THR 25 N -1.32 2.50 -0.11 1.60 2.01 -1.26 -4.71 115.64 114.34 2jdu s THR 25 Ca 0.28 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.44 2jdu s THR 25 Cb -0.13 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2jdu s THR 25 CO 0.17 0.01 0.22 -1.10 -0.69 0.00 0.00 174.62 173.24 2jdu s GLN 26 N 1.66 3.78 -0.20 4.92 -1.52 0.17 -4.34 119.66 124.12 2jdu s GLN 26 Ca 0.74 0.01 -0.01 0.00 -1.95 0.00 0.00 55.36 54.15 2jdu s GLN 26 Cb -0.45 -3.27 0.01 0.00 -0.22 0.00 0.00 33.01 29.08 2jdu s GLN 26 CO 0.32 0.61 -0.12 0.99 -0.25 0.00 0.00 175.29 176.84 2jdu s THR 27 N -0.61 2.68 -0.20 -0.19 2.01 -0.06 -2.11 115.64 117.15 2jdu s THR 27 Ca 0.16 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2jdu s THR 27 Cb -0.13 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 2jdu s THR 27 CO 0.05 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.67 2jdu s VAL 28 N 1.37 3.09 -0.12 3.82 1.01 0.55 -1.21 120.40 128.92 2jdu s VAL 28 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2jdu s VAL 28 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2jdu s VAL 28 CO -0.08 0.46 -0.01 0.20 0.00 0.00 0.00 175.10 175.67 2jdu s ASN 29 N 1.24 5.10 -0.20 3.32 0.01 -0.11 -0.75 114.94 123.54 2jdu s ASN 29 Ca 0.03 0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.20 2jdu s ASN 29 Cb -0.14 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 39.91 2jdu s ASN 29 CO -0.03 0.28 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.01 2jdu s VAL 30 N -0.28 2.54 -0.14 1.60 1.01 -0.35 -0.83 120.40 123.94 2jdu s VAL 30 Ca 0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 2jdu s VAL 30 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2jdu s VAL 30 CO 0.02 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 2jdu s LEU 31 N 1.34 3.87 0.05 3.92 1.02 0.92 -0.10 118.68 129.69 2jdu s LEU 31 Ca 0.04 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.41 2jdu s LEU 31 Cb -0.14 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2jdu s LEU 31 CO -0.09 0.29 -0.09 -0.69 0.02 0.00 0.00 176.35 175.79 2jdu s VAL 32 N -0.32 0.69 -1.75 -1.59 1.01 -0.37 -1.31 120.40 116.75 2jdu s VAL 32 Ca 0.09 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 2jdu s VAL 32 Cb -0.12 -0.81 0.18 0.00 0.00 0.00 0.00 36.38 35.63 2jdu s VAL 32 CO 0.02 -0.39 0.72 0.59 0.00 0.00 0.00 175.10 176.04 2jdu n ASN 33 N 1.28 -2.82 -2.73 3.32 3.02 -1.26 -0.66 115.26 115.41 2jdu n ASN 33 Ca -0.21 -1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 53.14 2jdu n ASN 33 Cb 0.55 -2.42 -0.01 0.00 -0.61 0.00 0.00 39.78 37.29 2jdu n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jdu n ASN 34 N -2.60 -2.67 -4.19 6.41 4.13 -1.26 -4.96 115.26 110.12 2jdu n ASN 34 Ca 0.08 0.13 -0.14 0.00 1.68 0.00 0.00 54.58 56.34 2jdu n ASN 34 Cb 0.48 -2.32 -0.11 0.00 -1.54 0.00 0.00 39.78 36.30 2jdu n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jdu s GLU 35 N -5.30 0.88 -0.03 3.52 0.41 0.16 -5.11 118.70 113.22 2jdu s GLU 35 Ca 0.11 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 53.14 2jdu s GLU 35 Cb -0.06 -0.49 -0.06 0.00 -1.78 0.00 0.00 34.13 31.74 2jdu s GLU 35 CO 0.14 0.06 1.61 0.99 -0.49 0.00 0.00 175.26 177.57 2jdu s THR 36 N -2.80 3.53 -0.11 3.63 2.01 -1.26 -1.23 115.64 119.41 2jdu s THR 36 Ca 0.08 0.74 0.16 0.00 0.31 0.00 0.00 61.69 62.98 2jdu s THR 36 Cb -0.01 -3.48 -0.23 0.00 0.01 0.00 0.00 72.50 68.80 2jdu s THR 36 CO -0.01 -0.05 0.18 0.00 -0.69 0.00 0.00 174.62 174.06 2jdu n ALA 37 N 6.68 2.00 -3.28 7.40 0.00 0.85 -4.90 120.51 129.26 2jdu n ALA 37 Ca 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2jdu n ALA 37 Cb 0.43 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 2jdu n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdu s ALA 38 N -2.72 -0.95 -0.06 0.00 0.00 -1.07 -5.01 121.76 111.95 2jdu s ALA 38 Ca -0.07 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2jdu s ALA 38 Cb 0.07 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2jdu s ALA 38 CO 0.70 -0.24 -0.04 0.99 0.00 0.00 0.00 175.76 177.17 2jdu s THR 39 N -0.63 0.55 0.02 0.00 2.01 -1.26 -1.21 115.64 115.13 2jdu s THR 39 Ca -0.07 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.90 2jdu s THR 39 Cb -0.04 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2jdu s THR 39 CO 0.03 0.25 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.72 2jdu s PHE 40 N 1.22 2.71 -0.07 4.92 0.08 0.07 -4.97 117.98 121.93 2jdu s PHE 40 Ca -0.06 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.78 2jdu s PHE 40 Cb -0.14 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2jdu s PHE 40 CO -0.02 0.30 0.18 0.45 -0.10 0.00 0.00 175.22 176.03 2jdu s SER 41 N -1.43 -0.17 0.00 1.36 0.15 -1.26 -0.33 113.70 112.03 2jdu s SER 41 Ca 0.16 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2jdu s SER 41 Cb -0.11 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2jdu s SER 41 CO 0.06 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2jdu n GLY 42 N 3.84 -0.24 2.82 9.45 0.00 -0.90 -4.92 105.19 115.24 2jdu n GLY 42 Ca -0.22 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 2jdu n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdu s GLN 43 N -2.00 0.41 -0.00 1.61 -0.44 -1.26 -0.66 119.66 117.32 2jdu s GLN 43 Ca 0.00 0.05 -0.21 0.00 -2.50 0.00 0.00 55.36 52.70 2jdu s GLN 43 Cb 0.00 -0.59 0.04 0.00 -1.64 0.00 0.00 33.01 30.83 2jdu s GLN 43 CO 0.00 -0.14 0.46 0.45 0.50 0.00 0.00 175.29 176.56 2jdu s SER 44 N 1.11 -0.37 -0.10 6.67 0.15 -1.25 -4.99 113.70 114.91 2jdu s SER 44 Ca -0.09 0.26 0.14 0.00 0.70 0.00 0.00 55.95 56.96 2jdu s SER 44 Cb -0.14 0.42 0.43 0.00 -1.71 0.00 0.00 66.02 65.03 2jdu s SER 44 CO -0.02 -0.57 1.35 0.35 1.20 0.00 0.00 173.24 175.55 2jdu n THR 45 N 0.90 1.71 -2.22 6.45 -2.24 -1.26 -0.23 114.28 117.40 2jdu n THR 45 Ca -0.20 -1.48 0.02 0.00 -2.27 0.00 0.00 64.05 60.13 2jdu n THR 45 Cb 0.58 0.09 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 2jdu n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jdu n ASN 46 N -0.03 1.61 -1.65 3.42 3.02 -1.26 -4.84 115.26 115.54 2jdu n ASN 46 Ca 0.17 -2.75 -0.17 0.00 -0.03 0.00 0.00 54.58 51.80 2jdu n ASN 46 Cb 0.69 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 2jdu n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jdu n ASN 47 N -0.25 -4.98 -4.76 6.41 5.15 -0.55 -4.94 115.26 111.34 2jdu n ASN 47 Ca 0.13 0.16 -0.40 0.00 -0.60 0.00 0.00 54.58 53.88 2jdu n ASN 47 Cb 0.95 -4.03 0.02 0.00 -0.53 0.00 0.00 39.78 36.19 2jdu n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdu s ALA 48 N -2.75 3.15 -0.19 5.20 0.00 -1.21 -4.48 121.76 121.49 2jdu s ALA 48 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 2jdu s ALA 48 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2jdu s ALA 48 CO 0.00 -1.24 1.64 0.08 0.00 0.00 0.00 175.76 176.24 2jdu s VAL 49 N -1.22 3.65 -1.56 0.00 1.01 -1.26 -1.54 120.40 119.49 2jdu s VAL 49 Ca 0.63 0.75 0.25 0.00 0.00 0.00 0.00 61.98 63.60 2jdu s VAL 49 Cb -0.43 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.40 2jdu s VAL 49 CO 0.55 -0.24 1.34 2.30 0.00 0.00 0.00 175.10 179.05 2jdu n ILE 50 N 6.26 0.00 -3.64 2.22 -5.35 0.22 -4.98 119.36 114.10 2jdu n ILE 50 Ca 0.19 -0.11 -0.03 0.00 -0.27 0.00 0.00 62.75 62.53 2jdu n ILE 50 Cb 0.45 0.64 -0.04 0.00 -1.74 0.00 0.00 39.64 38.94 2jdu n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jdu s GLY 51 N -2.67 0.09 -0.15 3.28 0.00 -1.22 -4.16 107.32 102.50 2jdu s GLY 51 Ca 0.18 2.85 -0.13 0.00 0.00 0.00 0.00 44.72 47.62 2jdu s GLY 51 CO 0.62 1.19 0.39 -1.08 0.00 0.00 0.00 173.10 174.21 2jdu s THR 52 N -0.91 -0.00 0.12 0.90 -1.32 -1.26 -1.21 115.64 111.96 2jdu s THR 52 Ca 0.08 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.36 2jdu s THR 52 Cb -0.01 -0.55 0.06 0.00 -1.51 0.00 0.00 72.50 70.49 2jdu s THR 52 CO -0.08 0.01 0.53 -1.58 -2.21 0.00 0.00 174.62 171.29 2jdu s GLN 53 N 0.38 1.17 -0.16 7.08 0.74 -0.40 -5.01 119.66 123.44 2jdu s GLN 53 Ca -0.01 -0.47 -0.04 0.00 0.05 0.00 0.00 55.36 54.89 2jdu s GLN 53 Cb -0.04 0.53 -0.03 0.00 1.10 0.00 0.00 33.01 34.58 2jdu s GLN 53 CO -0.01 -0.48 -0.03 0.08 -0.55 0.00 0.00 175.29 174.30 2jdu s VAL 54 N -3.45 3.88 0.28 1.34 1.01 -1.26 -1.51 120.40 120.69 2jdu s VAL 54 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2jdu s VAL 54 Cb -0.00 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 2jdu s VAL 54 CO -0.10 0.48 -0.02 -0.76 0.00 0.00 0.00 175.10 174.70 2jdu s LEU 55 N 0.48 2.36 -0.15 3.92 1.43 -0.40 -4.95 118.68 121.38 2jdu s LEU 55 Ca -0.03 -1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 51.78 2jdu s LEU 55 Cb -0.14 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2jdu s LEU 55 CO 0.03 -0.44 0.03 0.21 0.23 0.00 0.00 176.35 176.41 2jdu s ASN 56 N -3.42 5.42 0.00 2.29 3.84 -1.26 -0.84 114.94 120.97 2jdu s ASN 56 Ca 0.31 0.09 0.12 0.00 0.21 0.00 0.00 52.86 53.58 2jdu s ASN 56 Cb 0.05 -1.80 0.60 0.00 -0.55 0.00 0.00 41.25 39.55 2jdu s ASN 56 CO 0.12 0.25 1.28 -1.54 -2.79 0.00 0.00 177.10 174.42 2jdu n SER 57 N 3.02 0.00 -0.34 -4.21 3.41 -0.04 -4.88 113.62 110.58 2jdu n SER 57 Ca -0.18 0.12 0.02 0.00 -0.26 0.00 0.00 58.87 58.57 2jdu n SER 57 Cb 0.53 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2jdu n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdu n GLY 58 N -0.28 -1.85 0.18 5.00 0.00 -1.26 -2.38 105.19 104.59 2jdu n GLY 58 Ca 0.06 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.77 2jdu n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdu h SER 59 N -0.11 0.00 0.28 1.61 4.64 -1.96 0.18 113.55 118.20 2jdu h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdu h SER 59 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2jdu h SER 59 CO 0.00 0.40 -1.65 -1.54 -0.87 0.00 0.00 176.83 173.17 2jdu n SER 60 N -4.05 0.29 0.00 4.97 3.41 -1.26 -4.73 113.62 112.24 2jdu n SER 60 Ca -0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2jdu n SER 60 Cb 0.43 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 2jdu n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdu n GLY 61 N 1.25 0.84 3.66 5.00 0.00 -1.00 -4.66 105.19 110.28 2jdu n GLY 61 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2jdu n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdu s LYS 62 N -0.18 4.26 -0.10 1.61 2.20 -1.25 0.08 119.74 126.36 2jdu s LYS 62 Ca 0.00 1.25 0.03 0.00 -0.36 0.00 0.00 55.97 56.90 2jdu s LYS 62 Cb 0.00 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2jdu s LYS 62 CO 0.00 -0.57 -0.21 0.08 -0.36 0.00 0.00 175.35 174.29 2jdu s VAL 63 N 2.97 2.33 -0.03 4.02 1.01 -0.03 -4.28 120.40 126.39 2jdu s VAL 63 Ca 0.42 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2jdu s VAL 63 Cb -0.15 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2jdu s VAL 63 CO 0.08 0.55 -0.16 -1.58 0.00 0.00 0.00 175.10 173.99 2jdu s GLN 64 N 0.25 1.54 -0.14 2.72 0.74 -0.43 -0.90 119.66 123.45 2jdu s GLN 64 Ca -0.14 -0.57 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 2jdu s GLN 64 Cb -0.17 -1.39 -0.03 0.00 1.10 0.00 0.00 33.01 32.52 2jdu s GLN 64 CO 0.07 0.26 -0.05 0.08 -0.55 0.00 0.00 175.29 175.11 2jdu s VAL 65 N -0.08 3.77 0.02 1.34 1.01 0.41 -0.06 120.40 126.81 2jdu s VAL 65 Ca -0.00 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2jdu s VAL 65 Cb -0.09 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2jdu s VAL 65 CO 0.01 0.51 -0.21 -1.10 0.00 0.00 0.00 175.10 174.32 2jdu s GLN 66 N 0.18 1.53 -0.05 2.72 -0.21 -0.01 -4.72 119.66 119.09 2jdu s GLN 66 Ca -0.03 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.54 2jdu s GLN 66 Cb -0.14 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.31 2jdu s GLN 66 CO 0.03 0.41 -0.15 0.08 -2.12 0.00 0.00 175.29 173.54 2jdu s VAL 67 N -0.65 1.31 0.06 1.09 1.01 -1.26 -0.94 120.40 121.03 2jdu s VAL 67 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2jdu s VAL 67 Cb -0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2jdu s VAL 67 CO 0.01 0.39 -0.05 -0.94 0.00 0.00 0.00 175.10 174.50 2jdu s SER 68 N 0.31 0.78 -0.16 3.32 1.04 -0.35 -0.91 113.70 117.73 2jdu s SER 68 Ca -0.09 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 2jdu s SER 68 Cb -0.13 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.15 2jdu s SER 68 CO 0.03 -0.44 -0.01 -0.69 0.98 0.00 0.00 173.24 173.11 2jdu s VAL 69 N -3.08 0.77 -1.61 5.02 1.01 -0.21 -0.88 120.40 121.42 2jdu s VAL 69 Ca 0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2jdu s VAL 69 Cb 0.02 -1.06 0.11 0.00 0.00 0.00 0.00 36.38 35.45 2jdu s VAL 69 CO -0.05 0.04 0.82 0.59 0.00 0.00 0.00 175.10 176.50 2jdu n ASN 70 N 4.98 -3.47 0.00 3.32 3.02 -1.26 -1.00 115.26 120.86 2jdu n ASN 70 Ca -0.10 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2jdu n ASN 70 Cb 0.48 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 2jdu n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jdu n GLY 71 N -1.56 1.34 3.75 7.41 0.00 -1.26 -5.05 105.19 109.82 2jdu n GLY 71 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2jdu n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdu s ARG 72 N -0.32 4.18 0.05 1.61 0.52 -0.17 -5.07 118.95 119.76 2jdu s ARG 72 Ca 0.00 0.14 -0.31 0.00 -0.52 0.00 0.00 55.73 55.05 2jdu s ARG 72 Cb 0.00 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 2jdu s ARG 72 CO 0.00 0.31 1.30 -1.25 0.02 0.00 0.00 175.30 175.68 2jdu s PRO 73 N 0.24 4.36 0.50 3.54 0.04 -1.26 -1.05 135.00 141.36 2jdu s PRO 73 Ca 0.18 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 2jdu s PRO 73 Cb -0.13 -3.38 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 2jdu s PRO 73 CO 0.05 -0.39 1.01 -1.12 0.04 0.00 0.00 177.00 176.59 2jdu s SER 74 N 1.28 6.42 0.05 6.66 0.01 -0.08 -4.94 113.70 123.09 2jdu s SER 74 Ca 0.61 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 59.36 2jdu s SER 74 Cb -0.32 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.33 2jdu s SER 74 CO 0.28 -0.73 0.98 -0.62 0.41 0.00 0.00 173.24 173.56 2jdu s ASP 75 N -2.37 7.42 0.12 2.44 2.15 -0.85 -4.79 116.67 120.78 2jdu s ASP 75 Ca 0.64 1.73 0.04 0.00 0.43 0.00 0.00 52.55 55.39 2jdu s ASP 75 Cb -0.13 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 2jdu s ASP 75 CO 0.24 -0.18 0.09 -0.76 -0.17 0.00 0.00 175.17 174.39 2jdu s LEU 76 N 0.57 3.75 0.10 -1.34 1.43 -1.26 -1.17 118.68 120.75 2jdu s LEU 76 Ca 0.50 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2jdu s LEU 76 Cb -0.22 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2jdu s LEU 76 CO 0.29 0.12 -0.17 0.68 0.23 0.00 0.00 176.35 177.50 2jdu s VAL 77 N -1.56 1.42 0.10 -1.59 -7.23 -0.33 -4.87 120.40 106.34 2jdu s VAL 77 Ca 0.30 -1.49 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 2jdu s VAL 77 Cb -0.11 -1.37 0.08 0.00 0.56 0.00 0.00 36.38 35.54 2jdu s VAL 77 CO 0.22 -0.19 0.71 -0.94 -0.31 0.00 0.00 175.10 174.59 2jdu s SER 78 N -1.96 -0.49 0.16 4.85 1.04 -1.26 -1.01 113.70 115.04 2jdu s SER 78 Ca 0.04 -0.00 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 2jdu s SER 78 Cb -0.09 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2jdu s SER 78 CO 0.03 -0.84 0.68 0.00 0.98 0.00 0.00 173.24 174.09 2jdu s ALA 79 N -3.51 -1.56 -0.05 5.32 0.00 -0.87 -4.91 121.76 116.19 2jdu s ALA 79 Ca 0.03 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.43 2jdu s ALA 79 Cb -0.01 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2jdu s ALA 79 CO -0.11 -0.83 -0.22 -1.14 0.00 0.00 0.00 175.76 173.46 2jdu s GLN 80 N -3.68 2.41 -0.03 0.00 0.74 -1.26 -0.97 119.66 116.88 2jdu s GLN 80 Ca 0.04 -0.85 0.05 0.00 0.05 0.00 0.00 55.36 54.65 2jdu s GLN 80 Cb -0.02 -2.20 -0.01 0.00 1.10 0.00 0.00 33.01 31.89 2jdu s GLN 80 CO -0.08 0.50 -0.16 0.08 -0.55 0.00 0.00 175.29 175.08 2jdu s VAL 81 N -0.45 1.34 -0.12 1.34 1.01 -0.00 -5.00 120.40 118.52 2jdu s VAL 81 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2jdu s VAL 81 Cb -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2jdu s VAL 81 CO 0.01 0.38 -0.19 -0.63 0.00 0.00 0.00 175.10 174.67 2jdu s ILE 82 N -0.17 1.79 -0.09 2.22 1.01 -1.26 -1.04 121.20 123.66 2jdu s ILE 82 Ca 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2jdu s ILE 82 Cb -0.09 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2jdu s ILE 82 CO 0.01 0.50 -0.00 -0.76 0.00 0.00 0.00 174.94 174.68 2jdu s LEU 83 N 0.78 3.54 -1.32 2.97 1.43 0.32 -4.54 118.68 121.87 2jdu s LEU 83 Ca -0.10 0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 2jdu s LEU 83 Cb -0.16 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.39 2jdu s LEU 83 CO 0.01 0.35 0.47 1.07 0.23 0.00 0.00 176.35 178.48 2jdu n THR 84 N 2.31 -0.39 -1.63 5.49 5.66 -1.26 -1.26 114.28 123.20 2jdu n THR 84 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.61 2jdu n THR 84 Cb 0.53 -0.89 -0.08 0.00 -1.55 0.00 0.00 70.33 68.34 2jdu n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdu n ASN 85 N -2.24 -5.40 0.00 1.09 5.15 -1.26 -4.66 115.26 107.94 2jdu n ASN 85 Ca 0.06 0.48 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 2jdu n ASN 85 Cb 0.49 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 2jdu n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jdu n GLU 86 N -2.38 0.00 -3.61 1.20 4.07 -0.52 -5.09 120.64 114.32 2jdu n GLU 86 Ca -0.21 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.51 2jdu n GLU 86 Cb 0.67 -0.41 -0.11 0.00 -0.06 0.00 0.00 31.44 31.53 2jdu n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jdu s LEU 87 N -2.96 3.98 -0.11 4.31 2.96 -0.39 -4.39 118.68 122.08 2jdu s LEU 87 Ca 0.00 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2jdu s LEU 87 Cb 0.00 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2jdu s LEU 87 CO 0.00 -0.06 -0.12 0.20 -1.32 0.00 0.00 176.35 175.05 2jdu s ASN 88 N 1.74 4.17 -0.10 3.68 -0.87 -0.13 -0.52 114.94 122.91 2jdu s ASN 88 Ca 0.07 -0.24 0.03 0.00 -1.57 0.00 0.00 52.86 51.14 2jdu s ASN 88 Cb -0.16 -1.40 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 2jdu s ASN 88 CO 0.10 0.23 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.32 2jdu s PHE 89 N -0.02 2.16 -0.22 2.20 0.40 -0.20 -2.20 117.98 120.10 2jdu s PHE 89 Ca -0.03 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.32 2jdu s PHE 89 Cb -0.14 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2jdu s PHE 89 CO 0.04 -0.44 -0.08 0.00 0.70 0.00 0.00 175.22 175.43 2jdu s ALA 90 N 0.71 2.68 -0.04 5.36 0.00 0.02 -0.82 121.76 129.66 2jdu s ALA 90 Ca -0.12 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.67 2jdu s ALA 90 Cb -0.16 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2jdu s ALA 90 CO 0.02 -0.48 -0.22 -0.51 0.00 0.00 0.00 175.76 174.57 2jdu s LEU 91 N 1.41 2.26 -0.04 0.00 1.43 -0.14 -0.46 118.68 123.14 2jdu s LEU 91 Ca 0.05 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2jdu s LEU 91 Cb -0.14 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2jdu s LEU 91 CO -0.06 0.31 -0.05 -0.69 0.23 0.00 0.00 176.35 176.09 2jdu s VAL 92 N -0.53 0.52 0.33 -1.59 1.01 -0.14 -2.04 120.40 117.95 2jdu s VAL 92 Ca 0.07 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2jdu s VAL 92 Cb -0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2jdu s VAL 92 CO 0.00 0.21 0.09 -0.83 0.00 0.00 0.00 175.10 174.57 2jdu s GLY 93 N 0.80 1.94 -0.04 4.51 0.00 -0.18 -1.05 107.32 113.30 2jdu s GLY 93 Ca -0.11 -1.84 -0.19 0.00 0.00 0.00 0.00 44.72 42.59 2jdu s GLY 93 CO 0.00 -1.79 0.41 -1.35 0.00 0.00 0.00 173.10 170.38 2jdu s SER 94 N -3.79 -0.34 -0.09 1.64 1.04 -0.67 -1.18 113.70 110.31 2jdu s SER 94 Ca 0.36 0.33 0.02 0.00 0.48 0.00 0.00 55.95 57.15 2jdu s SER 94 Cb -0.02 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2jdu s SER 94 CO 0.21 -0.45 -0.15 -0.70 0.98 0.00 0.00 173.24 173.13 2jdu s GLU 95 N -1.11 2.10 0.00 4.02 2.56 -0.31 -1.64 118.70 124.32 2jdu s GLU 95 Ca -0.11 -0.54 0.10 0.00 0.00 0.00 0.00 54.97 54.42 2jdu s GLU 95 Cb -0.04 -1.73 0.15 0.00 2.00 0.00 0.00 34.13 34.52 2jdu s GLU 95 CO 0.05 0.02 0.97 -0.40 -0.56 0.00 0.00 175.26 175.34 2jdu n ASP 96 N 3.92 2.21 0.00 -1.70 5.68 -1.26 -2.02 116.55 123.39 2jdu n ASP 96 Ca -0.21 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2jdu n ASP 96 Cb 0.52 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 2jdu n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdu n GLY 97 N 0.53 4.16 0.02 6.12 0.00 -1.26 -5.06 105.19 109.70 2jdu n GLY 97 Ca 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2jdu n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdu n THR 98 N 0.00 0.25 0.76 2.61 -2.24 -1.26 -4.71 114.28 109.70 2jdu n THR 98 Ca 0.00 -0.27 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2jdu n THR 98 Cb 0.00 -0.18 0.46 0.00 -2.10 0.00 0.00 70.33 68.51 2jdu n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdu n ASP 99 N -2.03 0.00 -3.93 3.42 5.75 -1.26 -4.90 116.55 113.60 2jdu n ASP 99 Ca -0.07 0.45 -0.30 0.00 -0.01 0.00 0.00 54.79 54.86 2jdu n ASP 99 Cb 0.47 -0.48 0.02 0.00 -1.03 0.00 0.00 41.12 40.10 2jdu n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdu n ASN 100 N -1.48 -4.04 0.12 -1.12 3.02 -1.26 -4.90 115.26 105.60 2jdu n ASN 100 Ca 0.06 -0.82 0.12 0.00 -0.03 0.00 0.00 54.58 53.91 2jdu n ASN 100 Cb 0.24 -3.74 0.25 0.00 -0.61 0.00 0.00 39.78 35.91 2jdu n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdu h ASP 101 N -1.99 0.00 -3.13 6.41 3.04 -1.93 -3.48 116.42 115.34 2jdu h ASP 101 Ca -0.59 -0.06 -0.28 0.00 -3.24 0.00 0.00 57.03 52.86 2jdu h ASP 101 Cb 1.38 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.63 2jdu h ASP 101 CO 0.67 0.03 -0.34 -1.22 -2.04 0.00 0.00 179.24 176.35 2jdu n TYR 102 N -2.44 -1.10 -0.01 4.15 4.01 -1.26 -4.83 117.16 115.68 2jdu n TYR 102 Ca 0.04 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.81 2jdu n TYR 102 Cb 0.47 -2.92 0.08 0.00 -0.31 0.00 0.00 39.34 36.66 2jdu n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jdu n ASN 103 N -1.55 2.30 -0.25 7.72 0.23 -1.14 -1.68 115.26 120.89 2jdu n ASN 103 Ca -0.16 -1.81 -0.06 0.00 -0.53 0.00 0.00 54.58 52.02 2jdu n ASN 103 Cb 0.59 -0.10 0.05 0.00 -2.08 0.00 0.00 39.78 38.23 2jdu n ASN 103 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jdu h ASP 104 N 1.24 0.89 -3.42 0.53 3.32 -1.47 -3.23 116.42 114.29 2jdu h ASP 104 Ca 0.00 -0.11 -0.49 0.00 0.02 0.00 0.00 57.03 56.44 2jdu h ASP 104 Cb 0.55 -0.23 -0.34 0.00 0.22 0.00 0.00 39.33 39.53 2jdu h ASP 104 CO 0.00 0.75 -0.81 0.00 -1.72 0.00 0.00 179.24 177.47 2jdu s ALA 105 N -5.77 1.15 -0.11 3.45 0.00 -1.25 -1.22 121.76 118.00 2jdu s ALA 105 Ca -0.13 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2jdu s ALA 105 Cb 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2jdu s ALA 105 CO 0.80 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 176.57 2jdu s VAL 106 N 0.75 3.01 -0.07 0.00 1.01 -0.18 -2.38 120.40 122.54 2jdu s VAL 106 Ca -0.13 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2jdu s VAL 106 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2jdu s VAL 106 CO 0.03 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 2jdu s VAL 107 N 0.11 1.44 -0.17 2.92 1.01 -0.21 -0.50 120.40 125.00 2jdu s VAL 107 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2jdu s VAL 107 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2jdu s VAL 107 CO 0.05 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 2jdu s VAL 108 N 0.52 2.59 -0.14 2.92 1.01 0.19 -0.97 120.40 126.52 2jdu s VAL 108 Ca -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2jdu s VAL 108 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2jdu s VAL 108 CO 0.05 0.51 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 2jdu s ILE 109 N 0.99 3.92 0.03 2.22 1.01 0.40 -1.21 121.20 128.55 2jdu s ILE 109 Ca -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2jdu s ILE 109 Cb -0.15 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2jdu s ILE 109 CO -0.03 0.51 -0.09 0.54 0.00 0.00 0.00 174.94 175.87 2jdu s ASN 110 N 0.14 1.04 0.16 3.58 4.22 -0.57 -0.80 114.94 122.71 2jdu s ASN 110 Ca -0.01 -0.40 -0.23 0.00 -2.14 0.00 0.00 52.86 50.07 2jdu s ASN 110 Cb -0.14 -0.03 0.07 0.00 1.28 0.00 0.00 41.25 42.43 2jdu s ASN 110 CO 0.03 -0.06 0.64 -1.66 -2.04 0.00 0.00 177.10 174.00 2jdu s TRP 111 N -0.89 -0.49 0.81 1.54 -2.14 -0.93 -1.41 118.94 115.42 2jdu s TRP 111 Ca -0.03 0.26 -0.11 0.00 2.66 0.00 0.00 56.10 58.87 2jdu s TRP 111 Cb -0.07 0.57 0.08 0.00 -3.10 0.00 0.00 33.47 30.95 2jdu s TRP 111 CO 0.01 -0.86 1.10 -1.25 -2.66 0.00 0.00 176.95 173.28 2jdu s PRO 112 N -3.71 2.00 0.52 3.25 0.04 -1.26 -0.95 135.00 134.89 2jdu s PRO 112 Ca 0.02 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2jdu s PRO 112 Cb -0.01 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2jdu s PRO 112 CO -0.11 -1.68 0.52 -0.51 0.04 0.00 0.00 177.00 175.26 2jdu s LEU 113 N -5.82 3.02 0.00 -3.56 1.43 -1.26 -4.99 118.68 107.50 2jdu s LEU 113 Ca 0.61 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2jdu s LEU 113 Cb -0.15 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2jdu s LEU 113 CO 0.54 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.68