#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 2.91 -4.16 0.00 -1.04 -1.26 -5.02 114.28 105.71 2jdk n THR 2 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 2jdk n THR 2 Cb 0.00 -1.82 -0.11 0.00 -1.82 0.00 0.00 70.33 66.58 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 -2.49 0.81 0.00 -2.82 -1.52 -1.26 -4.85 119.66 107.53 2jdk s GLN 3 Ca 0.62 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 2jdk s GLN 3 Cb -0.45 -0.48 0.00 0.00 -0.22 0.00 0.00 33.01 31.86 2jdk s GLN 3 CO 0.57 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 176.09 2jdk n GLY 4 N 0.61 0.52 3.28 3.09 0.00 -1.26 -4.92 105.19 106.51 2jdk n GLY 4 Ca -0.16 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 2.59 0.01 1.61 1.01 -1.26 -0.74 120.40 121.62 2jdk s VAL 5 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2jdk s VAL 5 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2jdk s VAL 5 CO 0.00 0.53 -0.09 -0.36 0.00 0.00 0.00 175.10 175.18 2jdk s PHE 6 N 0.57 0.80 -0.34 5.22 0.08 0.12 -5.02 117.98 119.40 2jdk s PHE 6 Ca -0.10 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 2jdk s PHE 6 Cb -0.16 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.80 2jdk s PHE 6 CO 0.04 -0.01 0.19 0.99 -0.10 0.00 0.00 175.22 176.32 2jdk s THR 7 N -0.52 4.65 0.41 0.64 2.01 -1.26 -1.13 115.64 120.45 2jdk s THR 7 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2jdk s THR 7 Cb -0.05 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 2jdk s THR 7 CO 0.00 -0.08 0.63 -0.76 -0.69 0.00 0.00 174.62 173.73 2jdk s LEU 8 N 1.60 3.78 0.48 4.42 1.02 0.68 -5.01 118.68 125.65 2jdk s LEU 8 Ca 0.04 0.39 -0.23 0.00 0.02 0.00 0.00 54.13 54.34 2jdk s LEU 8 Cb -0.18 -3.27 -0.08 0.00 0.02 0.00 0.00 46.19 42.68 2jdk s LEU 8 CO 0.07 -0.54 1.15 -0.81 0.02 0.00 0.00 176.35 176.23 2jdk n PRO 9 N -1.98 1.51 -1.78 1.29 -0.04 -1.26 -4.39 135.00 128.35 2jdk n PRO 9 Ca -0.01 0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 63.66 2jdk n PRO 9 Cb 0.57 -2.28 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.30 2.41 -1.50 0.55 0.00 -1.26 -3.76 121.76 116.89 2jdk s ALA 10 Ca 0.66 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 2jdk s ALA 10 Cb -0.49 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.31 2jdk s ALA 10 CO 0.54 -1.37 0.92 0.09 0.00 0.00 0.00 175.76 175.94 2jdk n ASN 11 N -2.20 -4.06 -4.19 0.00 3.02 0.77 -4.88 115.26 103.73 2jdk n ASN 11 Ca 0.12 -0.79 -0.29 0.00 -0.03 0.00 0.00 54.58 53.59 2jdk n ASN 11 Cb 0.51 -3.88 -0.16 0.00 -0.61 0.00 0.00 39.78 35.64 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 -3.38 1.71 0.41 3.41 2.01 -1.25 -4.86 115.64 113.69 2jdk s THR 12 Ca 0.54 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 2jdk s THR 12 Cb -0.27 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 2jdk s THR 12 CO 0.83 0.48 1.12 -0.13 -0.69 0.00 0.00 174.62 176.23 2jdk s ARG 13 N 0.04 4.04 0.05 4.92 0.52 -1.26 -0.73 118.95 126.53 2jdk s ARG 13 Ca -0.06 1.70 -0.07 0.00 -0.52 0.00 0.00 55.73 56.78 2jdk s ARG 13 Cb -0.13 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 2jdk s ARG 13 CO 0.04 -0.29 0.14 -0.59 0.02 0.00 0.00 175.30 174.62 2jdk s PHE 14 N -1.53 0.15 0.05 -0.53 -0.71 0.12 -4.17 117.98 111.37 2jdk s PHE 14 Ca 0.58 -0.46 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 2jdk s PHE 14 Cb -0.27 -0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.39 2jdk s PHE 14 CO 0.34 -0.42 0.30 0.20 -1.34 0.00 0.00 175.22 174.29 2jdk s GLY 15 N -2.27 2.25 -0.04 1.99 0.00 -0.20 -1.11 107.32 107.94 2jdk s GLY 15 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2jdk s GLY 15 CO -0.06 -0.43 -0.04 0.54 0.00 0.00 0.00 173.10 173.11 2jdk s VAL 16 N -1.40 0.50 -0.02 1.40 0.11 -0.22 -1.25 120.40 119.52 2jdk s VAL 16 Ca 0.32 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2jdk s VAL 16 Cb -0.13 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2jdk s VAL 16 CO 0.19 0.21 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.27 2jdk s THR 17 N 0.88 0.25 -0.02 5.04 2.01 -0.30 -1.11 115.64 122.38 2jdk s THR 17 Ca -0.12 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 61.93 2jdk s THR 17 Cb -0.14 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2jdk s THR 17 CO 0.00 0.13 -0.24 0.00 -0.69 0.00 0.00 174.62 173.82 2jdk s ALA 18 N 0.58 2.01 0.10 7.40 0.00 -0.10 -0.83 121.76 130.92 2jdk s ALA 18 Ca -0.06 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 50.96 2jdk s ALA 18 Cb -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2jdk s ALA 18 CO -0.01 0.48 -0.25 -0.06 0.00 0.00 0.00 175.76 175.92 2jdk s PHE 19 N -0.52 2.15 -0.00 0.00 0.40 0.35 -0.85 117.98 119.50 2jdk s PHE 19 Ca 0.08 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2jdk s PHE 19 Cb -0.10 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 2jdk s PHE 19 CO -0.01 0.24 -0.26 0.00 0.70 0.00 0.00 175.22 175.89 2jdk s ALA 20 N -0.99 2.15 -0.44 5.36 0.00 -0.87 -0.98 121.76 125.98 2jdk s ALA 20 Ca 0.11 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.00 2jdk s ALA 20 Cb -0.10 -0.52 0.22 0.00 0.00 0.00 0.00 23.12 22.72 2jdk s ALA 20 CO 0.04 0.52 0.61 0.09 0.00 0.00 0.00 175.76 177.03 2jdk n ASN 21 N 2.29 -1.45 -3.53 0.00 3.02 -0.13 -1.52 115.26 113.93 2jdk n ASN 21 Ca -0.16 -2.82 -0.09 0.00 -0.03 0.00 0.00 54.58 51.48 2jdk n ASN 21 Cb 0.51 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 40.12 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 -0.65 -0.36 0.48 6.41 0.15 0.38 -4.07 113.70 116.04 2jdk s SER 22 Ca 0.33 0.14 0.30 0.00 0.70 0.00 0.00 55.95 57.42 2jdk s SER 22 Cb 0.12 0.34 1.06 0.00 -1.71 0.00 0.00 66.02 65.84 2jdk s SER 22 CO -0.16 -0.50 1.86 0.77 1.20 0.00 0.00 173.24 176.41 2jdk h SER 23 N 2.20 0.00 -3.42 5.45 4.64 -1.97 -3.34 113.55 117.11 2jdk h SER 23 Ca -0.20 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.58 2jdk h SER 23 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 2jdk h SER 23 CO 0.30 0.00 0.02 -0.83 -0.87 0.00 0.00 176.83 175.46 2jdk s GLY 24 N -4.09 2.60 0.05 -0.77 0.00 -1.26 -4.96 107.32 98.89 2jdk s GLY 24 Ca 0.03 0.06 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 2jdk s GLY 24 CO 0.56 0.42 1.58 -1.59 0.00 0.00 0.00 173.10 174.07 2jdk s THR 25 N -1.39 3.24 0.10 0.90 2.01 -1.26 -4.72 115.64 114.52 2jdk s THR 25 Ca 0.38 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 62.85 2jdk s THR 25 Cb -0.17 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2jdk s THR 25 CO 0.20 -0.00 0.58 -1.10 -0.69 0.00 0.00 174.62 173.61 2jdk s GLN 26 N 2.63 4.16 -0.20 4.92 -1.52 -0.05 -4.27 119.66 125.33 2jdk s GLN 26 Ca 0.71 0.70 0.01 0.00 -1.95 0.00 0.00 55.36 54.83 2jdk s GLN 26 Cb -0.37 -3.15 0.03 0.00 -0.22 0.00 0.00 33.01 29.29 2jdk s GLN 26 CO 0.31 0.59 -0.17 0.99 -0.25 0.00 0.00 175.29 176.76 2jdk s THR 27 N -1.21 2.21 -0.20 -0.19 2.01 0.24 -1.37 115.64 117.12 2jdk s THR 27 Ca 0.32 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 2jdk s THR 27 Cb -0.18 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 2jdk s THR 27 CO 0.19 0.41 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 2jdk s VAL 28 N 1.27 3.49 -0.11 3.82 1.01 0.24 -1.21 120.40 128.91 2jdk s VAL 28 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2jdk s VAL 28 Cb -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2jdk s VAL 28 CO -0.10 0.44 -0.15 0.20 0.00 0.00 0.00 175.10 175.49 2jdk s ASN 29 N 1.17 3.91 -0.23 3.32 0.01 -0.20 -1.10 114.94 121.80 2jdk s ASN 29 Ca 0.02 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2jdk s ASN 29 Cb -0.14 -1.38 0.01 0.00 0.41 0.00 0.00 41.25 40.15 2jdk s ASN 29 CO -0.01 0.21 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.04 2jdk s VAL 30 N 0.07 2.97 -0.14 1.60 1.01 -0.06 -1.09 120.40 124.76 2jdk s VAL 30 Ca -0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 2jdk s VAL 30 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2jdk s VAL 30 CO 0.05 0.31 0.05 -0.76 0.00 0.00 0.00 175.10 174.74 2jdk s LEU 31 N 1.38 3.78 -0.14 3.92 1.02 0.61 -0.16 118.68 129.09 2jdk s LEU 31 Ca 0.03 0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.35 2jdk s LEU 31 Cb -0.15 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.14 2jdk s LEU 31 CO -0.05 0.28 -0.20 -0.69 0.02 0.00 0.00 176.35 175.71 2jdk s VAL 32 N -0.28 2.24 -1.48 -1.59 1.01 -0.05 -1.10 120.40 119.15 2jdk s VAL 32 Ca 0.08 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2jdk s VAL 32 Cb -0.12 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.42 2jdk s VAL 32 CO 0.02 0.54 0.85 -3.20 0.00 0.00 0.00 175.10 173.31 2jdk n ASN 33 N 4.01 -3.39 -0.54 3.32 2.85 -0.22 -1.79 115.26 119.51 2jdk n ASN 33 Ca -0.20 -0.83 -0.07 0.00 -0.11 0.00 0.00 54.58 53.37 2jdk n ASN 33 Cb 0.52 -3.76 -0.03 0.00 1.24 0.00 0.00 39.78 37.75 2jdk n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jdk n ASN 34 N -2.89 -4.66 -4.18 1.20 3.02 -1.26 -5.00 115.26 101.49 2jdk n ASN 34 Ca -0.07 0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.40 2jdk n ASN 34 Cb 0.57 -2.78 -0.16 0.00 -0.61 0.00 0.00 39.78 36.81 2jdk n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jdk s GLU 35 N -2.24 1.56 0.16 3.52 0.41 -0.74 -5.06 118.70 116.30 2jdk s GLU 35 Ca 0.00 -0.66 -0.32 0.00 -0.41 0.00 0.00 54.97 53.58 2jdk s GLU 35 Cb 0.00 -1.48 -0.11 0.00 -1.78 0.00 0.00 34.13 30.76 2jdk s GLU 35 CO 0.00 0.38 1.69 0.99 -0.49 0.00 0.00 175.26 177.83 2jdk s THR 36 N -0.38 2.42 -0.02 3.63 2.01 -1.26 -0.87 115.64 121.17 2jdk s THR 36 Ca 0.06 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.31 2jdk s THR 36 Cb -0.08 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 69.23 2jdk s THR 36 CO -0.00 0.01 0.08 0.00 -0.69 0.00 0.00 174.62 174.02 2jdk n ALA 37 N 4.51 2.09 -3.28 7.40 0.00 0.77 -4.87 120.51 127.14 2jdk n ALA 37 Ca 0.16 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2jdk n ALA 37 Cb 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.28 -0.93 -0.01 0.00 0.00 -1.02 -5.01 121.76 112.51 2jdk s ALA 38 Ca -0.02 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 2jdk s ALA 38 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2jdk s ALA 38 CO 0.20 -0.27 0.02 -0.08 0.00 0.00 0.00 175.76 175.63 2jdk s THR 39 N -1.17 -0.02 -0.00 0.00 -1.32 -1.26 -0.88 115.64 110.99 2jdk s THR 39 Ca -0.12 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.46 2jdk s THR 39 Cb -0.04 -0.04 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 2jdk s THR 39 CO 0.05 0.03 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.00 2jdk s PHE 40 N 0.33 1.08 0.03 9.09 0.08 -0.26 -5.00 117.98 123.32 2jdk s PHE 40 Ca -0.03 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2jdk s PHE 40 Cb -0.04 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2jdk s PHE 40 CO -0.01 -0.01 -0.06 -1.12 -0.10 0.00 0.00 175.22 173.92 2jdk s SER 41 N -0.41 0.67 0.00 1.36 0.01 -1.26 -0.60 113.70 113.48 2jdk s SER 41 Ca 0.04 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2jdk s SER 41 Cb -0.05 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2jdk s SER 41 CO -0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2jdk n GLY 42 N 1.90 1.24 3.16 3.44 0.00 -0.47 -4.96 105.19 109.50 2jdk n GLY 42 Ca -0.20 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 2.77 -0.07 1.61 -0.44 -1.26 -0.87 119.66 119.40 2jdk s GLN 43 Ca 0.00 -0.77 -0.17 0.00 -2.50 0.00 0.00 55.36 51.91 2jdk s GLN 43 Cb 0.00 -2.18 0.04 0.00 -1.64 0.00 0.00 33.01 29.23 2jdk s GLN 43 CO 0.00 0.08 0.40 0.45 0.50 0.00 0.00 175.29 176.72 2jdk s SER 44 N 0.60 -0.35 -0.15 6.67 0.15 -1.25 -5.01 113.70 114.35 2jdk s SER 44 Ca -0.14 0.44 0.16 0.00 0.70 0.00 0.00 55.95 57.11 2jdk s SER 44 Cb -0.17 0.53 0.50 0.00 -1.71 0.00 0.00 66.02 65.17 2jdk s SER 44 CO 0.04 -0.37 1.40 0.35 1.20 0.00 0.00 173.24 175.86 2jdk n THR 45 N 1.73 2.11 -2.71 6.45 -2.24 -1.26 -0.47 114.28 117.89 2jdk n THR 45 Ca -0.18 -1.75 0.01 0.00 -2.27 0.00 0.00 64.05 59.86 2jdk n THR 45 Cb 0.56 -0.15 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2jdk n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jdk n ASN 46 N -0.35 1.26 -1.32 3.42 5.15 -1.26 -4.83 115.26 117.34 2jdk n ASN 46 Ca 0.20 -2.02 -0.12 0.00 -0.60 0.00 0.00 54.58 52.04 2jdk n ASN 46 Cb 0.83 -0.38 -0.01 0.00 -0.53 0.00 0.00 39.78 39.69 2jdk n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jdk n ASN 47 N -0.27 -3.81 -4.64 1.20 5.15 -0.58 -4.96 115.26 107.36 2jdk n ASN 47 Ca 0.05 0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.64 2jdk n ASN 47 Cb 0.91 -2.99 0.02 0.00 -0.53 0.00 0.00 39.78 37.19 2jdk n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdk n ALA 48 N -1.40 0.50 -2.68 5.20 0.00 -1.24 -4.60 120.51 116.28 2jdk n ALA 48 Ca -0.14 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2jdk n ALA 48 Cb 0.59 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 2jdk n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdk s VAL 49 N -1.33 4.11 -0.81 0.00 1.01 -1.26 -2.06 120.40 120.07 2jdk s VAL 49 Ca 0.66 -0.63 0.23 0.00 0.00 0.00 0.00 61.98 62.24 2jdk s VAL 49 Cb -0.50 -4.91 0.21 0.00 0.00 0.00 0.00 36.38 31.18 2jdk s VAL 49 CO 0.54 -1.76 1.70 2.30 0.00 0.00 0.00 175.10 177.88 2jdk n ILE 50 N 6.33 0.64 -3.63 2.22 -5.35 -0.03 -4.81 119.36 114.72 2jdk n ILE 50 Ca 0.19 0.08 -0.03 0.00 -0.27 0.00 0.00 62.75 62.73 2jdk n ILE 50 Cb 0.49 -0.84 -0.04 0.00 -1.74 0.00 0.00 39.64 37.51 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 -3.26 -0.03 -0.01 3.28 0.00 -1.21 -4.39 107.32 101.71 2jdk s GLY 51 Ca 0.09 2.49 -0.03 0.00 0.00 0.00 0.00 44.72 47.27 2jdk s GLY 51 CO 0.43 0.96 0.07 -1.08 0.00 0.00 0.00 173.10 173.47 2jdk s THR 52 N -1.35 0.04 0.08 0.90 -1.32 -1.26 -0.92 115.64 111.80 2jdk s THR 52 Ca 0.09 -0.30 -0.17 0.00 -1.21 0.00 0.00 61.69 60.10 2jdk s THR 52 Cb -0.01 -0.20 0.04 0.00 -1.51 0.00 0.00 72.50 70.82 2jdk s THR 52 CO -0.06 -0.16 0.41 -1.10 -2.21 0.00 0.00 174.62 171.50 2jdk s GLN 53 N -0.50 0.99 -0.20 7.08 -0.21 -0.27 -5.00 119.66 121.55 2jdk s GLN 53 Ca -0.06 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 54.75 2jdk s GLN 53 Cb -0.04 0.44 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 2jdk s GLN 53 CO 0.00 -0.36 0.06 0.08 -2.12 0.00 0.00 175.29 172.95 2jdk s VAL 54 N -3.03 4.65 0.31 1.09 1.01 -1.26 -1.06 120.40 122.11 2jdk s VAL 54 Ca -0.02 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2jdk s VAL 54 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 2jdk s VAL 54 CO -0.06 0.43 -0.03 -0.76 0.00 0.00 0.00 175.10 174.68 2jdk s LEU 55 N 0.66 2.49 -0.14 3.92 1.43 -0.27 -4.96 118.68 121.81 2jdk s LEU 55 Ca 0.03 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 51.87 2jdk s LEU 55 Cb -0.13 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 2jdk s LEU 55 CO 0.02 -0.39 -0.09 0.21 0.23 0.00 0.00 176.35 176.33 2jdk s ASN 56 N -3.50 4.38 0.19 2.29 3.84 -1.26 -0.70 114.94 120.19 2jdk s ASN 56 Ca 0.32 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.35 2jdk s ASN 56 Cb 0.05 -1.68 0.85 0.00 -0.55 0.00 0.00 41.25 39.93 2jdk s ASN 56 CO 0.14 0.17 1.58 -1.54 -2.79 0.00 0.00 177.10 174.66 2jdk n SER 57 N 3.49 0.44 -0.45 -4.21 3.41 0.09 -4.90 113.62 111.50 2jdk n SER 57 Ca -0.18 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2jdk n SER 57 Cb 0.53 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.43 -0.55 0.19 5.00 0.00 -1.26 -2.32 105.19 105.82 2jdk n GLY 58 Ca 0.01 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.00 0.63 1.61 4.64 -1.94 0.22 113.55 118.71 2jdk h SER 59 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2jdk h SER 59 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2jdk h SER 59 CO 0.00 0.34 -1.51 -1.54 -0.87 0.00 0.00 176.83 173.25 2jdk n SER 60 N -4.07 0.85 0.00 4.97 3.41 -1.26 -4.79 113.62 112.74 2jdk n SER 60 Ca -0.02 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2jdk n SER 60 Cb 0.39 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.44 0.54 3.64 5.00 0.00 -0.98 -4.84 105.19 109.99 2jdk n GLY 61 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.48 4.15 -0.09 1.61 2.20 -1.26 -0.23 119.74 125.63 2jdk s LYS 62 Ca 0.00 1.02 0.04 0.00 -0.36 0.00 0.00 55.97 56.67 2jdk s LYS 62 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2jdk s LYS 62 CO 0.00 -0.64 -0.21 0.08 -0.36 0.00 0.00 175.35 174.22 2jdk s VAL 63 N 3.10 1.85 -0.03 4.02 1.01 -0.28 -1.05 120.40 129.02 2jdk s VAL 63 Ca 0.39 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2jdk s VAL 63 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2jdk s VAL 63 CO 0.09 0.51 -0.12 -1.58 0.00 0.00 0.00 175.10 174.01 2jdk s GLN 64 N 0.42 1.21 -0.14 2.72 0.74 -0.25 -0.70 119.66 123.66 2jdk s GLN 64 Ca -0.18 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.79 2jdk s GLN 64 Cb -0.17 -1.10 -0.03 0.00 1.10 0.00 0.00 33.01 32.80 2jdk s GLN 64 CO 0.08 0.16 0.01 0.08 -0.55 0.00 0.00 175.29 175.06 2jdk s VAL 65 N 0.13 4.34 0.01 1.34 1.01 0.08 -0.28 120.40 127.03 2jdk s VAL 65 Ca -0.03 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2jdk s VAL 65 Cb -0.09 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2jdk s VAL 65 CO 0.01 0.52 -0.19 -1.10 0.00 0.00 0.00 175.10 174.34 2jdk s GLN 66 N -0.05 1.44 -0.02 2.72 -0.21 -0.25 -4.77 119.66 118.51 2jdk s GLN 66 Ca 0.04 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.66 2jdk s GLN 66 Cb -0.13 -1.46 -0.01 0.00 1.00 0.00 0.00 33.01 32.42 2jdk s GLN 66 CO 0.02 0.39 -0.12 0.08 -2.12 0.00 0.00 175.29 173.53 2jdk s VAL 67 N -0.63 0.99 0.08 1.09 1.01 -1.26 -1.04 120.40 120.65 2jdk s VAL 67 Ca 0.07 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2jdk s VAL 67 Cb -0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2jdk s VAL 67 CO 0.00 0.29 0.13 -0.94 0.00 0.00 0.00 175.10 174.58 2jdk s SER 68 N -0.15 0.22 -0.22 3.32 1.04 -0.35 -0.50 113.70 117.07 2jdk s SER 68 Ca 0.02 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2jdk s SER 68 Cb -0.06 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.41 2jdk s SER 68 CO -0.00 -0.70 -0.10 -0.69 0.98 0.00 0.00 173.24 172.73 2jdk s VAL 69 N -3.89 1.76 -1.45 5.02 1.01 -0.44 -0.60 120.40 121.81 2jdk s VAL 69 Ca 0.07 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 2jdk s VAL 69 Cb 0.06 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2jdk s VAL 69 CO -0.10 0.07 0.22 0.59 0.00 0.00 0.00 175.10 175.88 2jdk n ASN 70 N 4.62 -0.44 0.00 3.32 3.02 -1.26 -1.30 115.26 123.22 2jdk n ASN 70 Ca -0.14 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 2jdk n ASN 70 Cb 0.45 -1.85 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 2jdk n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jdk n GLY 71 N -2.38 2.32 3.64 7.41 0.00 -1.26 -5.03 105.19 109.88 2jdk n GLY 71 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2jdk n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jdk s ARG 72 N -0.23 4.13 0.31 1.61 3.52 -0.42 -5.02 118.95 122.85 2jdk s ARG 72 Ca 0.00 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.77 2jdk s ARG 72 Cb 0.00 -3.62 -0.10 0.00 -1.56 0.00 0.00 34.95 29.66 2jdk s ARG 72 CO 0.00 -0.32 1.42 -2.14 -0.81 0.00 0.00 175.30 173.45 2jdk s PRO 73 N 2.18 4.25 0.45 5.12 0.02 -1.26 -1.33 135.00 144.43 2jdk s PRO 73 Ca 0.24 2.36 -0.14 0.00 0.02 0.00 0.00 61.00 63.49 2jdk s PRO 73 Cb -0.16 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 2jdk s PRO 73 CO 0.09 -0.38 0.87 -1.12 -0.33 0.00 0.00 177.00 176.13 2jdk s SER 74 N -0.05 6.58 0.07 2.53 0.01 0.35 -4.91 113.70 118.28 2jdk s SER 74 Ca 0.54 1.35 -0.29 0.00 1.31 0.00 0.00 55.95 58.86 2jdk s SER 74 Cb -0.43 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 2jdk s SER 74 CO 0.52 -0.48 0.94 -0.62 0.41 0.00 0.00 173.24 174.01 2jdk s ASP 75 N -3.08 7.42 0.12 2.44 2.15 -0.71 -4.78 116.67 120.24 2jdk s ASP 75 Ca 0.55 1.71 0.04 0.00 0.43 0.00 0.00 52.55 55.28 2jdk s ASP 75 Cb -0.10 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 2jdk s ASP 75 CO 0.31 -0.11 0.08 -0.76 -0.17 0.00 0.00 175.17 174.51 2jdk s LEU 76 N 0.28 3.71 0.02 -1.34 1.43 -1.26 -0.93 118.68 120.59 2jdk s LEU 76 Ca 0.47 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2jdk s LEU 76 Cb -0.22 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2jdk s LEU 76 CO 0.28 0.13 -0.07 0.54 0.23 0.00 0.00 176.35 177.46 2jdk s VAL 77 N -1.53 0.51 0.18 -1.59 0.11 -0.50 -4.83 120.40 112.75 2jdk s VAL 77 Ca 0.29 -0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 2jdk s VAL 77 Cb -0.11 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2jdk s VAL 77 CO 0.22 -0.12 0.50 -0.94 -3.33 0.00 0.00 175.10 171.43 2jdk s SER 78 N -0.85 -0.26 0.15 3.54 1.04 -1.26 -0.34 113.70 115.73 2jdk s SER 78 Ca -0.04 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 55.70 2jdk s SER 78 Cb -0.06 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.68 2jdk s SER 78 CO 0.00 -1.01 0.87 0.00 0.98 0.00 0.00 173.24 174.08 2jdk s ALA 79 N -3.86 -1.59 -0.01 5.32 0.00 -0.77 -4.92 121.76 115.93 2jdk s ALA 79 Ca 0.08 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2jdk s ALA 79 Cb -0.00 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2jdk s ALA 79 CO -0.04 -0.96 -0.23 -1.14 0.00 0.00 0.00 175.76 173.39 2jdk s GLN 80 N -3.42 1.80 0.02 0.00 0.74 -1.26 -0.70 119.66 116.84 2jdk s GLN 80 Ca 0.10 -0.86 0.07 0.00 0.05 0.00 0.00 55.36 54.72 2jdk s GLN 80 Cb -0.02 -1.78 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 2jdk s GLN 80 CO 0.00 0.48 -0.21 0.08 -0.55 0.00 0.00 175.29 175.09 2jdk s VAL 81 N -0.59 1.68 -0.10 1.34 1.01 0.10 -5.00 120.40 118.83 2jdk s VAL 81 Ca 0.09 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2jdk s VAL 81 Cb -0.09 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2jdk s VAL 81 CO -0.00 0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.64 2jdk s ILE 82 N -0.68 1.34 -0.06 2.22 1.01 -1.26 -0.95 121.20 122.81 2jdk s ILE 82 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2jdk s ILE 82 Cb -0.09 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2jdk s ILE 82 CO 0.01 0.41 0.00 -0.76 0.00 0.00 0.00 174.94 174.60 2jdk s LEU 83 N 1.04 3.55 -1.33 2.97 1.43 -0.06 -4.54 118.68 121.75 2jdk s LEU 83 Ca -0.06 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 2jdk s LEU 83 Cb -0.15 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.34 2jdk s LEU 83 CO -0.02 0.35 0.47 1.07 0.23 0.00 0.00 176.35 178.45 2jdk n THR 84 N 1.92 -0.31 -1.82 5.49 5.66 -1.26 -1.31 114.28 122.65 2jdk n THR 84 Ca -0.17 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 2jdk n THR 84 Cb 0.53 -0.78 -0.07 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.23 -5.57 0.00 1.09 5.15 -1.26 -4.69 115.26 107.74 2jdk n ASN 85 Ca 0.06 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2jdk n ASN 85 Cb 0.48 -4.79 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 1.21 1.40 0.00 0.00 177.26 179.87 2jdk n GLU 86 N -2.57 0.00 -3.67 1.20 4.07 -0.50 -5.09 120.64 114.08 2jdk n GLU 86 Ca -0.22 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.51 2jdk n GLU 86 Cb 0.68 -0.33 -0.11 0.00 -0.06 0.00 0.00 31.44 31.62 2jdk n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jdk s LEU 87 N -3.25 3.82 -0.09 4.31 2.96 -0.43 -4.48 118.68 121.52 2jdk s LEU 87 Ca 0.00 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2jdk s LEU 87 Cb 0.00 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2jdk s LEU 87 CO 0.00 -0.03 -0.09 0.20 -1.32 0.00 0.00 176.35 175.12 2jdk s ASN 88 N 1.60 4.45 -0.08 3.68 -0.87 -0.09 -0.88 114.94 122.75 2jdk s ASN 88 Ca 0.07 -0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.26 2jdk s ASN 88 Cb -0.15 -1.27 0.01 0.00 -0.02 0.00 0.00 41.25 39.82 2jdk s ASN 88 CO 0.08 0.30 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.40 2jdk s PHE 89 N -0.44 1.72 -0.19 2.20 0.08 -0.13 -2.06 117.98 119.17 2jdk s PHE 89 Ca 0.06 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.38 2jdk s PHE 89 Cb -0.12 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 2jdk s PHE 89 CO 0.02 -0.36 -0.07 0.00 -0.10 0.00 0.00 175.22 174.72 2jdk s ALA 90 N 0.77 2.79 -0.05 5.36 0.00 0.24 -0.72 121.76 130.14 2jdk s ALA 90 Ca -0.12 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2jdk s ALA 90 Cb -0.16 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2jdk s ALA 90 CO 0.02 -0.14 -0.24 -0.51 0.00 0.00 0.00 175.76 174.89 2jdk s LEU 91 N 0.99 2.12 -0.03 0.00 1.43 0.13 -0.42 118.68 122.89 2jdk s LEU 91 Ca -0.00 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2jdk s LEU 91 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2jdk s LEU 91 CO -0.00 0.26 -0.06 -0.69 0.23 0.00 0.00 176.35 176.09 2jdk s VAL 92 N -0.25 0.63 0.35 -1.59 1.01 0.09 -1.86 120.40 118.78 2jdk s VAL 92 Ca -0.01 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.83 2jdk s VAL 92 Cb -0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2jdk s VAL 92 CO 0.03 0.23 0.06 -0.83 0.00 0.00 0.00 175.10 174.58 2jdk s GLY 93 N 0.56 2.06 -0.04 4.51 0.00 0.54 -0.92 107.32 114.05 2jdk s GLY 93 Ca -0.08 -1.95 -0.21 0.00 0.00 0.00 0.00 44.72 42.49 2jdk s GLY 93 CO 0.01 -1.87 0.45 -1.35 0.00 0.00 0.00 173.10 170.34 2jdk s SER 94 N -3.76 -0.37 -0.12 1.64 1.04 -0.97 -1.41 113.70 109.75 2jdk s SER 94 Ca 0.36 0.36 0.01 0.00 0.48 0.00 0.00 55.95 57.15 2jdk s SER 94 Cb -0.00 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2jdk s SER 94 CO 0.20 -0.49 -0.12 -0.70 0.98 0.00 0.00 173.24 173.12 2jdk s GLU 95 N -1.19 1.94 0.00 4.02 2.56 -0.11 -1.70 118.70 124.22 2jdk s GLU 95 Ca -0.12 -0.44 0.20 0.00 0.00 0.00 0.00 54.97 54.61 2jdk s GLU 95 Cb -0.03 -1.78 0.28 0.00 2.00 0.00 0.00 34.13 34.60 2jdk s GLU 95 CO 0.06 -0.17 1.24 -0.40 -0.56 0.00 0.00 175.26 175.43 2jdk n ASP 96 N 4.56 2.98 0.00 -1.70 5.68 -1.26 -1.74 116.55 125.08 2jdk n ASP 96 Ca -0.17 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 2jdk n ASP 96 Cb 0.51 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 1.19 4.67 0.00 6.12 0.00 -1.26 -5.04 105.19 110.88 2jdk n GLY 97 Ca 0.15 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 0.53 2.61 -2.24 -1.26 -4.69 114.28 109.24 2jdk n THR 98 Ca 0.00 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2jdk n THR 98 Cb 0.00 0.99 0.36 0.00 -2.10 0.00 0.00 70.33 69.58 2jdk n THR 98 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jdk h ASP 99 N 0.00 0.00 -5.86 3.42 2.03 -2.01 -3.47 116.42 110.53 2jdk h ASP 99 Ca 0.00 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.87 2jdk h ASP 99 Cb 0.10 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.67 2jdk h ASP 99 CO 0.00 0.00 -0.70 0.59 -1.03 0.00 0.00 179.24 178.10 2jdk n ASN 100 N -2.45 -5.78 0.22 4.15 3.02 -1.26 -4.88 115.26 108.28 2jdk n ASN 100 Ca 0.05 -0.59 0.12 0.00 -0.03 0.00 0.00 54.58 54.13 2jdk n ASN 100 Cb 0.44 -4.58 0.24 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.33 0.00 -2.96 6.41 2.03 -1.93 -3.47 116.42 114.16 2jdk h ASP 101 Ca -0.57 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.39 2jdk h ASP 101 Cb 1.37 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.83 2jdk h ASP 101 CO 0.60 0.04 -0.41 -1.22 -1.03 0.00 0.00 179.24 177.22 2jdk n TYR 102 N -3.12 -1.00 -0.29 4.15 4.02 -1.26 -4.83 117.16 114.84 2jdk n TYR 102 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.96 2jdk n TYR 102 Cb 0.51 -3.35 0.08 0.00 -0.02 0.00 0.00 39.34 36.56 2jdk n TYR 102 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2jdk n ASN 103 N -1.73 2.39 -0.13 7.72 6.94 -1.17 -2.28 115.26 127.00 2jdk n ASN 103 Ca -0.20 -2.26 -0.12 0.00 -0.02 0.00 0.00 54.58 51.99 2jdk n ASN 103 Cb 0.63 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.56 0.97 -3.67 0.53 3.32 -1.47 -3.21 116.42 113.45 2jdk h ASP 104 Ca 0.00 -0.41 -0.49 0.00 0.02 0.00 0.00 57.03 56.16 2jdk h ASP 104 Cb 0.70 -0.27 -0.32 0.00 0.22 0.00 0.00 39.33 39.66 2jdk h ASP 104 CO 0.02 1.19 -0.81 0.00 -1.72 0.00 0.00 179.24 177.92 2jdk s ALA 105 N -4.52 1.15 -0.09 3.45 0.00 -1.25 -0.96 121.76 119.54 2jdk s ALA 105 Ca -0.11 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2jdk s ALA 105 Cb 0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2jdk s ALA 105 CO 0.87 0.15 -0.17 0.08 0.00 0.00 0.00 175.76 176.70 2jdk s VAL 106 N 0.37 2.76 -0.05 0.00 1.01 -0.15 -2.31 120.40 122.03 2jdk s VAL 106 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2jdk s VAL 106 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2jdk s VAL 106 CO 0.02 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.86 2jdk s VAL 107 N -0.05 1.15 -0.11 2.92 1.01 -0.09 -0.49 120.40 124.75 2jdk s VAL 107 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2jdk s VAL 107 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2jdk s VAL 107 CO 0.04 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 2jdk s VAL 108 N 0.44 1.92 -0.12 2.92 1.01 -0.01 -0.73 120.40 125.83 2jdk s VAL 108 Ca -0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2jdk s VAL 108 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2jdk s VAL 108 CO 0.03 0.53 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 2jdk s ILE 109 N 0.52 3.42 -0.00 2.22 1.01 0.44 -1.15 121.20 127.66 2jdk s ILE 109 Ca -0.15 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2jdk s ILE 109 Cb -0.17 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 2jdk s ILE 109 CO 0.05 0.53 -0.08 0.54 0.00 0.00 0.00 174.94 175.98 2jdk s ASN 110 N 0.08 0.97 0.15 3.58 4.22 -0.38 -0.59 114.94 122.97 2jdk s ASN 110 Ca -0.03 -0.17 -0.19 0.00 -2.14 0.00 0.00 52.86 50.33 2jdk s ASN 110 Cb -0.14 -0.10 0.04 0.00 1.28 0.00 0.00 41.25 42.33 2jdk s ASN 110 CO 0.04 0.09 0.49 -1.66 -2.04 0.00 0.00 177.10 174.02 2jdk s TRP 111 N -0.24 -0.29 0.87 1.54 -2.14 -0.88 -1.03 118.94 116.77 2jdk s TRP 111 Ca 0.03 -0.01 -0.12 0.00 2.66 0.00 0.00 56.10 58.66 2jdk s TRP 111 Cb -0.03 0.39 0.11 0.00 -3.10 0.00 0.00 33.47 30.83 2jdk s TRP 111 CO -0.00 -0.80 1.10 -1.25 -2.66 0.00 0.00 176.95 173.34 2jdk s PRO 112 N -3.80 1.51 0.52 3.25 0.04 -1.26 -0.91 135.00 134.35 2jdk s PRO 112 Ca 0.04 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.74 2jdk s PRO 112 Cb 0.00 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2jdk s PRO 112 CO -0.10 -2.01 0.54 -0.51 0.04 0.00 0.00 177.00 174.96 2jdk s LEU 113 N -6.01 3.01 0.00 -3.56 1.43 -1.26 -4.98 118.68 107.31 2jdk s LEU 113 Ca 0.62 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2jdk s LEU 113 Cb -0.16 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2jdk s LEU 113 CO 0.55 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.65