#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdk n THR 2 N 0.00 2.52 -4.16 0.00 -1.04 -1.26 -5.02 114.28 105.32 2jdk n THR 2 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 2jdk n THR 2 Cb 0.00 -1.74 -0.10 0.00 -1.82 0.00 0.00 70.33 66.66 2jdk n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdk s GLN 3 N -2.26 0.81 -0.02 -2.82 -1.52 -1.26 -4.84 119.66 107.75 2jdk s GLN 3 Ca 0.59 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 2jdk s GLN 3 Cb -0.48 -0.37 0.00 0.00 -0.22 0.00 0.00 33.01 31.94 2jdk s GLN 3 CO 0.59 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 176.08 2jdk n GLY 4 N 0.38 0.47 3.40 3.09 0.00 -1.26 -4.90 105.19 106.36 2jdk n GLY 4 Ca -0.15 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2jdk n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdk s VAL 5 N -1.97 3.14 -0.01 1.61 1.01 -1.26 -0.64 120.40 122.28 2jdk s VAL 5 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2jdk s VAL 5 Cb 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2jdk s VAL 5 CO 0.00 0.53 -0.04 -0.36 0.00 0.00 0.00 175.10 175.23 2jdk s PHE 6 N 0.22 0.35 -0.39 5.22 0.08 0.18 -5.02 117.98 118.63 2jdk s PHE 6 Ca -0.08 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 2jdk s PHE 6 Cb -0.15 -0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.07 2jdk s PHE 6 CO 0.05 -0.02 0.30 0.99 -0.10 0.00 0.00 175.22 176.45 2jdk s THR 7 N -0.01 5.24 0.43 0.64 2.01 -1.26 -1.18 115.64 121.51 2jdk s THR 7 Ca 0.01 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2jdk s THR 7 Cb -0.02 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2jdk s THR 7 CO -0.00 -0.23 0.68 -0.76 -0.69 0.00 0.00 174.62 173.61 2jdk s LEU 8 N 1.76 3.74 0.45 4.42 1.02 0.19 -5.01 118.68 125.25 2jdk s LEU 8 Ca 0.06 0.56 -0.25 0.00 0.02 0.00 0.00 54.13 54.53 2jdk s LEU 8 Cb -0.18 -3.45 -0.09 0.00 0.02 0.00 0.00 46.19 42.49 2jdk s LEU 8 CO 0.11 -0.55 1.25 -0.81 0.02 0.00 0.00 176.35 176.37 2jdk n PRO 9 N -2.06 1.82 -1.81 1.29 -0.04 -1.26 -4.36 135.00 128.58 2jdk n PRO 9 Ca -0.01 0.65 -0.36 0.00 -0.04 0.00 0.00 63.50 63.74 2jdk n PRO 9 Cb 0.56 -2.38 0.06 0.00 -0.04 0.00 0.00 33.50 31.70 2jdk n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jdk s ALA 10 N -1.23 2.41 -1.45 0.55 0.00 -1.26 -3.66 121.76 117.13 2jdk s ALA 10 Ca 0.63 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.62 2jdk s ALA 10 Cb -0.49 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.15 2jdk s ALA 10 CO 0.56 -1.48 0.99 0.09 0.00 0.00 0.00 175.76 175.93 2jdk n ASN 11 N -1.86 -5.74 -4.27 0.00 3.02 0.35 -4.90 115.26 101.87 2jdk n ASN 11 Ca 0.15 -0.56 -0.32 0.00 -0.03 0.00 0.00 54.58 53.82 2jdk n ASN 11 Cb 0.49 -4.56 -0.16 0.00 -0.61 0.00 0.00 39.78 34.93 2jdk n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdk s THR 12 N -3.27 2.22 0.36 3.41 2.01 -1.24 -4.85 115.64 114.29 2jdk s THR 12 Ca 0.56 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 2jdk s THR 12 Cb -0.26 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.32 2jdk s THR 12 CO 0.69 0.56 1.13 -0.13 -0.69 0.00 0.00 174.62 176.18 2jdk s ARG 13 N 0.10 4.26 0.03 4.92 0.52 -1.26 -0.87 118.95 126.65 2jdk s ARG 13 Ca -0.11 1.78 -0.04 0.00 -0.52 0.00 0.00 55.73 56.85 2jdk s ARG 13 Cb -0.16 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 2jdk s ARG 13 CO 0.06 -0.13 0.05 -0.59 0.02 0.00 0.00 175.30 174.71 2jdk s PHE 14 N -1.38 0.25 0.09 -0.53 -0.71 0.00 -4.16 117.98 111.55 2jdk s PHE 14 Ca 0.53 -0.55 -0.07 0.00 -1.04 0.00 0.00 56.93 55.80 2jdk s PHE 14 Cb -0.30 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.28 2jdk s PHE 14 CO 0.38 -0.31 0.37 0.20 -1.34 0.00 0.00 175.22 174.52 2jdk s GLY 15 N -1.98 2.28 -0.03 1.99 0.00 -0.23 -1.13 107.32 108.21 2jdk s GLY 15 Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.17 2jdk s GLY 15 CO -0.04 -0.33 -0.02 0.54 0.00 0.00 0.00 173.10 173.25 2jdk s VAL 16 N -1.49 0.34 -0.02 1.40 0.11 -0.29 -1.37 120.40 119.07 2jdk s VAL 16 Ca 0.36 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2jdk s VAL 16 Cb -0.13 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2jdk s VAL 16 CO 0.20 0.17 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.25 2jdk s THR 17 N 0.83 0.16 0.01 5.04 2.01 -0.28 -1.18 115.64 122.22 2jdk s THR 17 Ca -0.10 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.01 2jdk s THR 17 Cb -0.13 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2jdk s THR 17 CO -0.01 0.11 -0.24 0.00 -0.69 0.00 0.00 174.62 173.80 2jdk s ALA 18 N 0.64 1.97 0.10 7.40 0.00 -0.30 -0.78 121.76 130.80 2jdk s ALA 18 Ca -0.06 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.92 2jdk s ALA 18 Cb -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2jdk s ALA 18 CO -0.01 0.47 -0.24 -0.06 0.00 0.00 0.00 175.76 175.92 2jdk s PHE 19 N -0.64 2.08 0.01 0.00 0.08 0.28 -0.62 117.98 119.16 2jdk s PHE 19 Ca 0.09 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.83 2jdk s PHE 19 Cb -0.09 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2jdk s PHE 19 CO 0.00 0.24 -0.25 0.00 -0.10 0.00 0.00 175.22 175.12 2jdk s ALA 20 N -1.04 2.27 -0.43 5.36 0.00 -0.71 -0.96 121.76 126.25 2jdk s ALA 20 Ca 0.10 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.96 2jdk s ALA 20 Cb -0.10 -0.57 0.23 0.00 0.00 0.00 0.00 23.12 22.69 2jdk s ALA 20 CO 0.05 0.54 0.62 0.09 0.00 0.00 0.00 175.76 177.05 2jdk n ASN 21 N 2.10 -1.03 -3.54 0.00 3.02 -0.09 -1.37 115.26 114.34 2jdk n ASN 21 Ca -0.16 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.45 2jdk n ASN 21 Cb 0.52 0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.88 2jdk n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdk s SER 22 N -1.02 -0.38 0.53 6.41 0.15 0.27 -4.10 113.70 115.55 2jdk s SER 22 Ca 0.34 0.23 0.20 0.00 0.70 0.00 0.00 55.95 57.42 2jdk s SER 22 Cb 0.16 0.35 1.38 0.00 -1.71 0.00 0.00 66.02 66.20 2jdk s SER 22 CO -0.16 -0.48 2.14 0.77 1.20 0.00 0.00 173.24 176.71 2jdk h SER 23 N 2.32 0.00 -3.25 5.45 4.64 -1.97 -3.36 113.55 117.38 2jdk h SER 23 Ca -0.20 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.57 2jdk h SER 23 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2jdk h SER 23 CO 0.31 0.04 -0.20 -0.83 -0.87 0.00 0.00 176.83 175.29 2jdk s GLY 24 N -4.11 2.13 -0.02 -0.77 0.00 -1.26 -4.93 107.32 98.36 2jdk s GLY 24 Ca -0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 2jdk s GLY 24 CO 0.64 -0.37 1.34 -1.59 0.00 0.00 0.00 173.10 173.12 2jdk s THR 25 N -1.83 3.88 -0.07 0.90 2.01 -1.26 -4.71 115.64 114.56 2jdk s THR 25 Ca 0.44 1.25 -0.15 0.00 0.31 0.00 0.00 61.69 63.53 2jdk s THR 25 Cb -0.11 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2jdk s THR 25 CO 0.25 -0.01 0.40 -1.10 -0.69 0.00 0.00 174.62 173.48 2jdk s GLN 26 N 2.37 4.10 -0.19 4.92 -1.52 -0.18 -4.30 119.66 124.86 2jdk s GLN 26 Ca 0.61 0.36 -0.01 0.00 -1.95 0.00 0.00 55.36 54.36 2jdk s GLN 26 Cb -0.29 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 2jdk s GLN 26 CO 0.25 0.45 -0.12 0.99 -0.25 0.00 0.00 175.29 176.61 2jdk s THR 27 N -0.27 2.82 -0.22 -0.19 2.01 -0.20 -1.83 115.64 117.75 2jdk s THR 27 Ca 0.23 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 2jdk s THR 27 Cb -0.15 -2.24 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 2jdk s THR 27 CO 0.10 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.76 2jdk s VAL 28 N 1.25 3.20 -0.15 3.82 1.01 0.27 -0.89 120.40 128.91 2jdk s VAL 28 Ca 0.03 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2jdk s VAL 28 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2jdk s VAL 28 CO -0.05 0.43 0.03 0.20 0.00 0.00 0.00 175.10 175.71 2jdk s ASN 29 N 1.45 5.42 -0.24 3.32 0.01 0.08 -0.84 114.94 124.15 2jdk s ASN 29 Ca 0.06 0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.25 2jdk s ASN 29 Cb -0.14 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2jdk s ASN 29 CO -0.05 0.24 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.07 2jdk s VAL 30 N -0.03 3.40 -0.11 1.60 1.01 0.02 -1.04 120.40 125.25 2jdk s VAL 30 Ca 0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2jdk s VAL 30 Cb -0.12 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jdk s VAL 30 CO 0.01 0.31 0.09 -0.76 0.00 0.00 0.00 175.10 174.76 2jdk s LEU 31 N 1.46 4.11 -0.10 3.92 1.02 0.68 0.04 118.68 129.80 2jdk s LEU 31 Ca 0.04 0.35 0.02 0.00 0.02 0.00 0.00 54.13 54.56 2jdk s LEU 31 Cb -0.15 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.09 2jdk s LEU 31 CO -0.02 0.39 -0.16 -0.69 0.02 0.00 0.00 176.35 175.89 2jdk s VAL 32 N -0.92 1.55 -1.48 -1.59 1.01 -0.07 -1.12 120.40 117.77 2jdk s VAL 32 Ca 0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2jdk s VAL 32 Cb -0.12 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2jdk s VAL 32 CO 0.03 0.45 0.90 -3.20 0.00 0.00 0.00 175.10 173.28 2jdk n ASN 33 N 4.07 -3.83 -1.67 3.32 5.15 -0.63 -2.01 115.26 119.66 2jdk n ASN 33 Ca -0.20 -0.80 -0.18 0.00 -0.60 0.00 0.00 54.58 52.81 2jdk n ASN 33 Cb 0.51 -3.88 -0.04 0.00 -0.53 0.00 0.00 39.78 35.84 2jdk n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jdk n ASN 34 N -2.89 -5.12 -4.14 1.20 4.13 -1.26 -5.00 115.26 102.18 2jdk n ASN 34 Ca -0.05 0.21 -0.19 0.00 1.68 0.00 0.00 54.58 56.23 2jdk n ASN 34 Cb 0.56 -4.19 -0.13 0.00 -1.54 0.00 0.00 39.78 34.49 2jdk n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jdk s GLU 35 N -4.18 0.89 0.10 3.52 0.41 -0.85 -5.10 118.70 113.49 2jdk s GLU 35 Ca 0.00 -0.78 -0.31 0.00 -0.41 0.00 0.00 54.97 53.47 2jdk s GLU 35 Cb 0.00 -0.89 -0.09 0.00 -1.78 0.00 0.00 34.13 31.37 2jdk s GLU 35 CO 0.00 0.22 1.62 0.99 -0.49 0.00 0.00 175.26 177.60 2jdk s THR 36 N -0.92 2.93 -0.06 3.63 2.01 -1.26 -0.89 115.64 121.09 2jdk s THR 36 Ca 0.01 0.49 0.11 0.00 0.31 0.00 0.00 61.69 62.60 2jdk s THR 36 Cb -0.08 -3.32 -0.16 0.00 0.01 0.00 0.00 72.50 68.96 2jdk s THR 36 CO 0.01 0.01 0.15 0.00 -0.69 0.00 0.00 174.62 174.11 2jdk n ALA 37 N 5.09 2.11 -3.45 7.40 0.00 0.11 -4.86 120.51 126.92 2jdk n ALA 37 Ca 0.15 -0.47 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 2jdk n ALA 37 Cb 0.40 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 2jdk n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdk s ALA 38 N -2.55 -1.52 -0.03 0.00 0.00 -1.00 -5.01 121.76 111.65 2jdk s ALA 38 Ca -0.05 1.06 0.01 0.00 0.00 0.00 0.00 51.96 52.98 2jdk s ALA 38 Cb 0.05 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2jdk s ALA 38 CO 0.46 -0.35 -0.02 0.99 0.00 0.00 0.00 175.76 176.83 2jdk s THR 39 N -1.28 0.33 0.13 0.00 2.01 -1.26 -0.80 115.64 114.77 2jdk s THR 39 Ca -0.11 -0.03 0.10 0.00 0.31 0.00 0.00 61.69 61.95 2jdk s THR 39 Cb -0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2jdk s THR 39 CO 0.08 0.17 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.62 2jdk s PHE 40 N 0.83 2.47 0.01 4.92 0.08 -0.02 -4.98 117.98 121.29 2jdk s PHE 40 Ca -0.09 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 2jdk s PHE 40 Cb -0.13 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.05 2jdk s PHE 40 CO -0.01 0.40 0.33 -1.54 -0.10 0.00 0.00 175.22 174.30 2jdk s SER 41 N -2.24 -0.20 0.00 1.36 1.04 -1.26 -0.56 113.70 111.84 2jdk s SER 41 Ca 0.18 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2jdk s SER 41 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2jdk s SER 41 CO 0.10 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2jdk n GLY 42 N 1.00 -0.29 2.87 7.32 0.00 -0.76 -4.86 105.19 110.46 2jdk n GLY 42 Ca -0.20 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 2jdk n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdk s GLN 43 N -2.00 0.54 -0.10 1.61 -0.44 -1.26 -1.01 119.66 117.00 2jdk s GLN 43 Ca 0.00 -0.03 -0.28 0.00 -2.50 0.00 0.00 55.36 52.55 2jdk s GLN 43 Cb 0.00 -0.62 0.07 0.00 -1.64 0.00 0.00 33.01 30.81 2jdk s GLN 43 CO 0.00 -0.08 0.66 0.45 0.50 0.00 0.00 175.29 176.82 2jdk s SER 44 N 0.84 -0.65 -0.11 6.67 0.15 -1.26 -5.00 113.70 114.35 2jdk s SER 44 Ca -0.10 0.85 0.15 0.00 0.70 0.00 0.00 55.95 57.55 2jdk s SER 44 Cb -0.13 0.75 0.52 0.00 -1.71 0.00 0.00 66.02 65.45 2jdk s SER 44 CO -0.01 -0.50 1.44 0.35 1.20 0.00 0.00 173.24 175.72 2jdk n THR 45 N 1.39 1.81 -2.21 6.45 -2.24 -1.26 -0.57 114.28 117.66 2jdk n THR 45 Ca -0.18 -1.42 0.02 0.00 -2.27 0.00 0.00 64.05 60.20 2jdk n THR 45 Cb 0.56 0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.95 2jdk n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jdk n ASN 46 N 0.26 1.65 -1.59 3.42 3.02 -1.26 -4.81 115.26 115.95 2jdk n ASN 46 Ca 0.20 -2.77 -0.16 0.00 -0.03 0.00 0.00 54.58 51.81 2jdk n ASN 46 Cb 0.77 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 2jdk n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jdk n ASN 47 N -0.27 -4.91 -4.75 6.41 5.15 -0.47 -4.94 115.26 111.47 2jdk n ASN 47 Ca 0.14 0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.91 2jdk n ASN 47 Cb 0.94 -3.94 0.04 0.00 -0.53 0.00 0.00 39.78 36.29 2jdk n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdk s ALA 48 N -2.72 2.75 -0.31 5.20 0.00 -1.23 -4.54 121.76 120.91 2jdk s ALA 48 Ca 0.00 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2jdk s ALA 48 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2jdk s ALA 48 CO 0.00 -1.35 1.37 0.08 0.00 0.00 0.00 175.76 175.86 2jdk s VAL 49 N -1.35 4.03 -1.31 0.00 1.01 -1.26 -1.75 120.40 119.77 2jdk s VAL 49 Ca 0.73 1.14 0.24 0.00 0.00 0.00 0.00 61.98 64.09 2jdk s VAL 49 Cb -0.39 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2jdk s VAL 49 CO 0.45 -0.49 1.28 2.30 0.00 0.00 0.00 175.10 178.63 2jdk n ILE 50 N 6.39 0.00 -3.64 2.22 -5.35 0.21 -4.96 119.36 114.24 2jdk n ILE 50 Ca 0.16 -0.06 -0.02 0.00 -0.27 0.00 0.00 62.75 62.55 2jdk n ILE 50 Cb 0.47 0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 2jdk n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jdk s GLY 51 N -2.81 -0.07 -0.22 3.28 0.00 -1.20 -4.03 107.32 102.27 2jdk s GLY 51 Ca 0.14 2.33 -0.18 0.00 0.00 0.00 0.00 44.72 47.02 2jdk s GLY 51 CO 0.68 0.86 0.57 -1.08 0.00 0.00 0.00 173.10 174.13 2jdk s THR 52 N -1.57 -0.00 0.10 0.90 -1.32 -1.26 -1.15 115.64 111.34 2jdk s THR 52 Ca 0.10 0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.40 2jdk s THR 52 Cb -0.01 -0.80 0.05 0.00 -1.51 0.00 0.00 72.50 70.23 2jdk s THR 52 CO -0.05 0.01 0.48 -1.58 -2.21 0.00 0.00 174.62 171.26 2jdk s GLN 53 N 0.64 1.10 -0.17 7.08 0.74 -0.33 -5.00 119.66 123.72 2jdk s GLN 53 Ca -0.03 -0.49 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 2jdk s GLN 53 Cb -0.05 0.49 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 2jdk s GLN 53 CO -0.04 -0.43 -0.00 0.08 -0.55 0.00 0.00 175.29 174.35 2jdk s VAL 54 N -3.31 4.18 0.27 1.34 1.01 -1.26 -1.14 120.40 121.48 2jdk s VAL 54 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2jdk s VAL 54 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 2jdk s VAL 54 CO -0.09 0.48 -0.02 -0.76 0.00 0.00 0.00 175.10 174.71 2jdk s LEU 55 N 0.40 2.34 -0.14 3.92 1.43 -0.29 -4.96 118.68 121.38 2jdk s LEU 55 Ca -0.02 -1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 51.80 2jdk s LEU 55 Cb -0.14 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2jdk s LEU 55 CO 0.02 -0.44 0.06 0.21 0.23 0.00 0.00 176.35 176.43 2jdk s ASN 56 N -3.40 5.66 0.24 2.29 3.84 -1.26 -0.82 114.94 121.49 2jdk s ASN 56 Ca 0.30 0.18 0.23 0.00 0.21 0.00 0.00 52.86 53.78 2jdk s ASN 56 Cb 0.05 -1.84 0.95 0.00 -0.55 0.00 0.00 41.25 39.86 2jdk s ASN 56 CO 0.11 0.29 1.69 -1.54 -2.79 0.00 0.00 177.10 174.86 2jdk n SER 57 N 2.77 0.62 -0.78 -4.21 3.41 -0.05 -4.91 113.62 110.47 2jdk n SER 57 Ca -0.18 0.65 0.03 0.00 -0.26 0.00 0.00 58.87 59.11 2jdk n SER 57 Cb 0.53 -0.78 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 2jdk n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdk n GLY 58 N 0.04 -1.43 0.27 5.00 0.00 -1.26 -2.51 105.19 105.29 2jdk n GLY 58 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2jdk n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdk h SER 59 N -0.21 0.46 0.85 1.61 4.64 -1.94 0.11 113.55 119.06 2jdk h SER 59 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2jdk h SER 59 Cb 0.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jdk h SER 59 CO 0.00 0.53 -0.96 -1.54 -0.87 0.00 0.00 176.83 174.00 2jdk n SER 60 N -4.28 0.75 0.00 4.97 3.41 -1.26 -4.74 113.62 112.47 2jdk n SER 60 Ca 0.01 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2jdk n SER 60 Cb 0.24 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 2jdk n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdk n GLY 61 N 1.24 0.44 3.65 5.00 0.00 -1.05 -4.82 105.19 109.66 2jdk n GLY 61 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jdk n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdk s LYS 62 N -0.62 4.20 -0.07 1.61 2.20 -1.26 -0.64 119.74 125.16 2jdk s LYS 62 Ca 0.00 1.08 0.05 0.00 -0.36 0.00 0.00 55.97 56.74 2jdk s LYS 62 Cb 0.00 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2jdk s LYS 62 CO 0.00 -0.58 -0.24 0.08 -0.36 0.00 0.00 175.35 174.25 2jdk s VAL 63 N 3.00 1.98 -0.02 4.02 1.01 -0.32 -1.60 120.40 128.47 2jdk s VAL 63 Ca 0.38 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jdk s VAL 63 Cb -0.15 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2jdk s VAL 63 CO 0.07 0.55 -0.09 -1.58 0.00 0.00 0.00 175.10 174.05 2jdk s GLN 64 N 0.00 0.82 -0.15 2.72 0.74 -0.27 -0.65 119.66 122.88 2jdk s GLN 64 Ca -0.08 -0.31 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 2jdk s GLN 64 Cb -0.15 -0.79 -0.03 0.00 1.10 0.00 0.00 33.01 33.14 2jdk s GLN 64 CO 0.05 0.15 0.00 0.08 -0.55 0.00 0.00 175.29 175.02 2jdk s VAL 65 N -0.02 4.26 0.02 1.34 1.01 0.19 -0.23 120.40 126.97 2jdk s VAL 65 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2jdk s VAL 65 Cb -0.06 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2jdk s VAL 65 CO -0.00 0.50 -0.18 -1.10 0.00 0.00 0.00 175.10 174.33 2jdk s GLN 66 N 0.13 1.26 -0.05 2.72 -0.21 -0.20 -4.73 119.66 118.57 2jdk s GLN 66 Ca 0.01 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.64 2jdk s GLN 66 Cb -0.13 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.59 2jdk s GLN 66 CO 0.02 0.34 -0.13 0.08 -2.12 0.00 0.00 175.29 173.48 2jdk s VAL 67 N -0.69 1.10 0.01 1.09 1.01 -1.26 -0.74 120.40 120.93 2jdk s VAL 67 Ca 0.06 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2jdk s VAL 67 Cb -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2jdk s VAL 67 CO 0.01 0.34 -0.15 -0.55 0.00 0.00 0.00 175.10 174.74 2jdk s SER 68 N 0.33 1.80 -0.04 3.32 0.15 -0.07 -0.79 113.70 118.40 2jdk s SER 68 Ca -0.08 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 2jdk s SER 68 Cb -0.12 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.05 2jdk s SER 68 CO 0.02 0.13 0.09 -0.69 1.20 0.00 0.00 173.24 173.99 2jdk s VAL 69 N -0.58 -0.05 -1.68 4.45 1.01 -0.50 -1.03 120.40 122.02 2jdk s VAL 69 Ca 0.04 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 2jdk s VAL 69 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2jdk s VAL 69 CO 0.00 0.07 0.00 -3.20 0.00 0.00 0.00 175.10 171.97 2jdk n ASN 70 N 4.01 -5.62 0.00 3.32 5.15 -1.26 -1.81 115.26 119.04 2jdk n ASN 70 Ca -0.25 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2jdk n ASN 70 Cb 0.52 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 2jdk n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jdk n GLY 71 N -0.99 0.78 3.12 8.20 0.00 -1.26 -5.05 105.19 109.99 2jdk n GLY 71 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 2jdk n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdk s ARG 72 N -0.31 0.84 0.29 1.61 3.00 -0.75 -5.13 118.95 118.50 2jdk s ARG 72 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 55.73 54.74 2jdk s ARG 72 Cb 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 34.95 34.03 2jdk s ARG 72 CO 0.00 0.20 1.44 -2.14 0.00 0.00 0.00 175.30 174.80 2jdk s PRO 73 N -1.08 4.25 0.52 3.54 0.02 -1.26 -1.41 135.00 139.57 2jdk s PRO 73 Ca 0.00 2.36 -0.18 0.00 0.02 0.00 0.00 61.00 63.20 2jdk s PRO 73 Cb -0.08 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 2jdk s PRO 73 CO 0.01 -0.41 1.01 -1.12 -0.33 0.00 0.00 177.00 176.16 2jdk s SER 74 N 0.13 6.36 0.14 2.53 0.01 0.03 -4.90 113.70 118.00 2jdk s SER 74 Ca 0.57 1.73 -0.30 0.00 1.31 0.00 0.00 55.95 59.25 2jdk s SER 74 Cb -0.43 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.20 2jdk s SER 74 CO 0.49 -0.77 1.09 -0.62 0.41 0.00 0.00 173.24 173.84 2jdk s ASP 75 N -2.67 7.27 0.06 2.44 2.15 -0.83 -4.79 116.67 120.30 2jdk s ASP 75 Ca 0.62 2.02 0.04 0.00 0.43 0.00 0.00 52.55 55.67 2jdk s ASP 75 Cb -0.13 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2jdk s ASP 75 CO 0.28 -0.24 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.24 2jdk s LEU 76 N -0.04 3.31 0.15 -1.34 1.43 -1.26 -1.00 118.68 119.92 2jdk s LEU 76 Ca 0.51 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 2jdk s LEU 76 Cb -0.28 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2jdk s LEU 76 CO 0.33 0.22 -0.24 0.68 0.23 0.00 0.00 176.35 177.57 2jdk s VAL 77 N -1.18 2.12 0.15 -1.59 -7.23 -0.33 -4.84 120.40 107.51 2jdk s VAL 77 Ca 0.22 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 2jdk s VAL 77 Cb -0.11 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.96 2jdk s VAL 77 CO 0.13 -0.05 0.73 -0.94 -0.31 0.00 0.00 175.10 174.66 2jdk s SER 78 N -2.29 -0.41 0.06 4.85 1.04 -1.26 -1.02 113.70 114.67 2jdk s SER 78 Ca 0.15 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 2jdk s SER 78 Cb -0.09 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.69 2jdk s SER 78 CO 0.07 -0.98 0.84 0.00 0.98 0.00 0.00 173.24 174.15 2jdk s ALA 79 N -3.61 -1.73 -0.05 5.32 0.00 -0.81 -4.91 121.76 115.97 2jdk s ALA 79 Ca 0.05 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.76 2jdk s ALA 79 Cb -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2jdk s ALA 79 CO -0.06 -0.78 -0.17 -1.14 0.00 0.00 0.00 175.76 173.62 2jdk s GLN 80 N -3.30 2.53 -0.01 0.00 0.74 -1.26 -0.92 119.66 117.44 2jdk s GLN 80 Ca 0.06 -0.74 0.05 0.00 0.05 0.00 0.00 55.36 54.77 2jdk s GLN 80 Cb -0.01 -2.34 -0.01 0.00 1.10 0.00 0.00 33.01 31.75 2jdk s GLN 80 CO -0.07 0.56 -0.16 0.08 -0.55 0.00 0.00 175.29 175.15 2jdk s VAL 81 N -0.57 1.24 -0.10 1.34 1.01 0.04 -5.00 120.40 118.35 2jdk s VAL 81 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2jdk s VAL 81 Cb -0.11 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2jdk s VAL 81 CO 0.01 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.63 2jdk s ILE 82 N -0.40 1.62 -0.10 2.22 1.01 -1.26 -0.99 121.20 123.29 2jdk s ILE 82 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jdk s ILE 82 Cb -0.06 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2jdk s ILE 82 CO -0.00 0.46 0.00 -0.76 0.00 0.00 0.00 174.94 174.64 2jdk s LEU 83 N 0.73 3.56 -0.98 2.97 1.43 -0.06 -4.55 118.68 121.78 2jdk s LEU 83 Ca -0.12 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2jdk s LEU 83 Cb -0.16 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.31 2jdk s LEU 83 CO 0.02 0.33 0.30 1.07 0.23 0.00 0.00 176.35 178.31 2jdk n THR 84 N 2.44 -0.44 -1.60 5.49 5.66 -1.26 -1.09 114.28 123.48 2jdk n THR 84 Ca -0.18 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 2jdk n THR 84 Cb 0.53 -0.99 -0.09 0.00 -1.55 0.00 0.00 70.33 68.24 2jdk n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdk n ASN 85 N -2.02 -5.52 0.00 1.09 5.15 -1.26 -4.73 115.26 107.97 2jdk n ASN 85 Ca 0.00 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 2jdk n ASN 85 Cb 0.52 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 2jdk n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jdk n GLU 86 N -2.35 0.00 -3.86 1.20 -0.58 -0.25 -5.08 120.64 109.72 2jdk n GLU 86 Ca -0.21 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.18 2jdk n GLU 86 Cb 0.68 -0.46 -0.12 0.00 -0.57 0.00 0.00 31.44 30.97 2jdk n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jdk s LEU 87 N -4.23 3.43 -0.09 -4.62 2.96 -0.56 -4.44 118.68 111.13 2jdk s LEU 87 Ca 0.00 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 2jdk s LEU 87 Cb 0.00 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2jdk s LEU 87 CO 0.00 0.01 -0.07 0.20 -1.32 0.00 0.00 176.35 175.18 2jdk s ASN 88 N 1.33 4.64 -0.08 3.68 -0.87 -0.22 -0.88 114.94 122.54 2jdk s ASN 88 Ca 0.05 -0.07 0.03 0.00 -1.57 0.00 0.00 52.86 51.30 2jdk s ASN 88 Cb -0.15 -1.36 0.01 0.00 -0.02 0.00 0.00 41.25 39.74 2jdk s ASN 88 CO 0.03 0.30 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.35 2jdk s PHE 89 N -0.44 1.77 -0.21 2.20 0.40 -0.16 -2.10 117.98 119.44 2jdk s PHE 89 Ca 0.07 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.68 2jdk s PHE 89 Cb -0.12 -1.26 -0.01 0.00 0.51 0.00 0.00 43.02 42.15 2jdk s PHE 89 CO 0.02 -0.33 -0.07 0.00 0.70 0.00 0.00 175.22 175.54 2jdk s ALA 90 N 0.60 2.73 -0.05 5.36 0.00 0.19 -0.78 121.76 129.82 2jdk s ALA 90 Ca -0.15 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.73 2jdk s ALA 90 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2jdk s ALA 90 CO 0.05 -0.34 -0.25 -0.51 0.00 0.00 0.00 175.76 174.70 2jdk s LEU 91 N 1.33 2.08 -0.04 0.00 1.43 -0.10 -0.69 118.68 122.69 2jdk s LEU 91 Ca 0.04 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2jdk s LEU 91 Cb -0.14 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2jdk s LEU 91 CO -0.04 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 2jdk s VAL 92 N -0.31 0.59 0.34 -1.59 1.01 -0.03 -1.92 120.40 118.50 2jdk s VAL 92 Ca 0.01 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2jdk s VAL 92 Cb -0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2jdk s VAL 92 CO 0.02 0.22 0.06 -0.83 0.00 0.00 0.00 175.10 174.57 2jdk s GLY 93 N 0.62 2.03 -0.04 4.51 0.00 -0.19 -0.85 107.32 113.39 2jdk s GLY 93 Ca -0.09 -1.92 -0.19 0.00 0.00 0.00 0.00 44.72 42.52 2jdk s GLY 93 CO 0.00 -1.85 0.43 -1.35 0.00 0.00 0.00 173.10 170.33 2jdk s SER 94 N -3.76 -0.36 -0.14 1.64 1.04 -0.87 -1.19 113.70 110.06 2jdk s SER 94 Ca 0.36 0.37 0.01 0.00 0.48 0.00 0.00 55.95 57.17 2jdk s SER 94 Cb -0.01 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2jdk s SER 94 CO 0.20 -0.45 -0.16 -0.70 0.98 0.00 0.00 173.24 173.11 2jdk s GLU 95 N -1.09 2.45 0.00 4.02 2.56 -0.17 -1.67 118.70 124.80 2jdk s GLU 95 Ca -0.11 -0.63 0.21 0.00 0.00 0.00 0.00 54.97 54.44 2jdk s GLU 95 Cb -0.04 -2.14 0.12 0.00 2.00 0.00 0.00 34.13 34.07 2jdk s GLU 95 CO 0.05 -0.15 1.13 -0.40 -0.56 0.00 0.00 175.26 175.33 2jdk n ASP 96 N 4.49 2.53 0.00 -1.70 5.68 -1.26 -1.97 116.55 124.32 2jdk n ASP 96 Ca -0.18 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2jdk n ASP 96 Cb 0.51 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 2jdk n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdk n GLY 97 N 1.24 4.94 0.00 6.12 0.00 -1.26 -5.03 105.19 111.20 2jdk n GLY 97 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2jdk n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdk n THR 98 N 0.00 0.00 0.71 2.61 -2.24 -1.26 -4.71 114.28 109.39 2jdk n THR 98 Ca 0.00 -0.41 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2jdk n THR 98 Cb 0.00 0.93 0.36 0.00 -2.10 0.00 0.00 70.33 69.52 2jdk n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdk n ASP 99 N -1.02 0.62 -3.05 3.42 5.75 -1.26 -4.94 116.55 116.07 2jdk n ASP 99 Ca 0.00 0.35 -0.22 0.00 -0.01 0.00 0.00 54.79 54.91 2jdk n ASP 99 Cb 0.00 -0.36 0.04 0.00 -1.03 0.00 0.00 41.12 39.77 2jdk n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdk n ASN 100 N -2.02 -6.10 0.19 -1.12 3.02 -1.26 -4.88 115.26 103.08 2jdk n ASN 100 Ca 0.05 -0.32 0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2jdk n ASN 100 Cb 0.41 -4.88 0.14 0.00 -0.61 0.00 0.00 39.78 34.84 2jdk n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdk h ASP 101 N -1.60 0.00 -2.54 6.41 2.03 -1.93 -3.48 116.42 115.32 2jdk h ASP 101 Ca -0.53 -0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.40 2jdk h ASP 101 Cb 1.36 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.80 2jdk h ASP 101 CO 0.56 0.00 -0.42 -1.22 -1.03 0.00 0.00 179.24 177.12 2jdk n TYR 102 N -2.98 -0.79 -0.35 4.15 4.01 -1.26 -4.83 117.16 115.11 2jdk n TYR 102 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 2jdk n TYR 102 Cb 0.53 -3.46 0.08 0.00 -0.31 0.00 0.00 39.34 36.19 2jdk n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jdk n ASN 103 N -1.65 2.42 -0.17 7.72 6.94 -1.15 -2.05 115.26 127.31 2jdk n ASN 103 Ca -0.21 -2.32 -0.10 0.00 -0.02 0.00 0.00 54.58 51.93 2jdk n ASN 103 Cb 0.64 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2jdk n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jdk h ASP 104 N 0.55 0.90 -3.45 0.53 3.32 -1.47 -3.24 116.42 113.56 2jdk h ASP 104 Ca 0.00 -0.33 -0.55 0.00 0.02 0.00 0.00 57.03 56.17 2jdk h ASP 104 Cb 0.73 -0.24 -0.33 0.00 0.22 0.00 0.00 39.33 39.71 2jdk h ASP 104 CO 0.02 1.01 -0.83 0.00 -1.72 0.00 0.00 179.24 177.72 2jdk s ALA 105 N -4.94 1.47 -0.11 3.45 0.00 -1.26 -0.91 121.76 119.45 2jdk s ALA 105 Ca -0.12 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2jdk s ALA 105 Cb 0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2jdk s ALA 105 CO 0.83 0.17 -0.15 0.08 0.00 0.00 0.00 175.76 176.69 2jdk s VAL 106 N 0.53 2.87 -0.07 0.00 1.01 -0.13 -2.51 120.40 122.09 2jdk s VAL 106 Ca -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2jdk s VAL 106 Cb -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2jdk s VAL 106 CO 0.05 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2jdk s VAL 107 N 0.22 1.58 -0.15 2.92 1.01 -0.03 -0.56 120.40 125.38 2jdk s VAL 107 Ca -0.10 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2jdk s VAL 107 Cb -0.16 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jdk s VAL 107 CO 0.06 0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 2jdk s VAL 108 N 0.39 2.28 -0.10 2.92 1.01 0.04 -0.85 120.40 126.08 2jdk s VAL 108 Ca -0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 2jdk s VAL 108 Cb -0.16 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2jdk s VAL 108 CO 0.05 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 2jdk s ILE 109 N 0.90 3.53 0.02 2.22 1.01 0.14 -1.13 121.20 127.88 2jdk s ILE 109 Ca -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2jdk s ILE 109 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2jdk s ILE 109 CO -0.03 0.55 -0.05 0.54 0.00 0.00 0.00 174.94 175.96 2jdk s ASN 110 N -0.22 0.53 0.19 3.58 4.22 -0.47 -0.64 114.94 122.13 2jdk s ASN 110 Ca 0.02 -0.32 -0.22 0.00 -2.14 0.00 0.00 52.86 50.21 2jdk s ASN 110 Cb -0.13 0.01 0.06 0.00 1.28 0.00 0.00 41.25 42.47 2jdk s ASN 110 CO 0.03 -0.11 0.62 -1.66 -2.04 0.00 0.00 177.10 173.94 2jdk s TRP 111 N -0.80 -0.45 0.84 1.54 -2.14 -0.89 -1.07 118.94 115.98 2jdk s TRP 111 Ca -0.06 0.18 -0.12 0.00 2.66 0.00 0.00 56.10 58.76 2jdk s TRP 111 Cb -0.06 0.58 0.10 0.00 -3.10 0.00 0.00 33.47 30.99 2jdk s TRP 111 CO -0.00 -0.93 1.13 -1.25 -2.66 0.00 0.00 176.95 173.24 2jdk s PRO 112 N -3.79 1.73 0.49 3.25 0.04 -1.26 -1.05 135.00 134.41 2jdk s PRO 112 Ca 0.03 0.39 0.08 0.00 0.04 0.00 0.00 61.00 61.54 2jdk s PRO 112 Cb -0.02 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2jdk s PRO 112 CO -0.08 -1.81 0.51 -0.51 0.04 0.00 0.00 177.00 175.15 2jdk s LEU 113 N -5.82 3.18 0.00 -3.56 1.43 -1.26 -4.98 118.68 107.68 2jdk s LEU 113 Ca 0.62 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2jdk s LEU 113 Cb -0.14 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2jdk s LEU 113 CO 0.53 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.77