#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 2.68 -4.15 0.00 -1.04 -1.26 -5.03 114.28 105.48 2jdk n THR 2 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 2jdk n THR 2 Cb 0.00 -1.75 -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 -2.34 0.79 -0.01 -2.82 -1.52 -1.26 -4.86 119.66 107.63 2jdk s GLN 3 Ca 0.61 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.82 2jdk s GLN 3 Cb -0.47 -0.29 0.00 0.00 -0.22 0.00 0.00 33.01 32.03 2jdk s GLN 3 CO 0.58 0.01 0.00 0.41 -0.25 0.00 0.00 175.29 176.04 2jdk n GLY 4 N 0.33 0.47 3.35 3.09 0.00 -1.26 -4.91 105.19 106.26 2jdk n GLY 4 Ca -0.15 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.98 2.94 0.01 1.61 1.01 -1.26 -0.54 120.40 122.19 2jdk s VAL 5 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2jdk s VAL 5 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2jdk s VAL 5 CO 0.00 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.20 2jdk s PHE 6 N 0.41 0.57 -0.35 5.22 0.08 0.12 -5.02 117.98 119.01 2jdk s PHE 6 Ca -0.11 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.62 2jdk s PHE 6 Cb -0.16 -0.36 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 2jdk s PHE 6 CO 0.05 -0.02 0.24 0.99 -0.10 0.00 0.00 175.22 176.37 2jdk s THR 7 N -0.44 5.13 0.42 0.64 2.01 -1.26 -1.20 115.64 120.94 2jdk s THR 7 Ca -0.01 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2jdk s THR 7 Cb -0.04 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2jdk s THR 7 CO -0.00 -0.07 0.64 -0.76 -0.69 0.00 0.00 174.62 173.75 2jdk s LEU 8 N 1.69 3.75 0.56 4.42 1.02 0.50 -5.01 118.68 125.62 2jdk s LEU 8 Ca 0.05 0.37 -0.21 0.00 0.02 0.00 0.00 54.13 54.37 2jdk s LEU 8 Cb -0.18 -3.25 -0.05 0.00 0.02 0.00 0.00 46.19 42.74 2jdk s LEU 8 CO 0.10 -0.57 1.25 -0.81 0.02 0.00 0.00 176.35 176.33 2jdk n PRO 9 N -2.00 1.42 -1.91 1.29 -0.04 -1.26 -4.38 135.00 128.11 2jdk n PRO 9 Ca -0.00 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 2jdk n PRO 9 Cb 0.57 -2.45 0.05 0.00 -0.04 0.00 0.00 33.50 31.63 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 -1.34 2.49 -1.44 0.55 0.00 -1.26 -3.75 121.76 117.00 2jdk s ALA 10 Ca 0.74 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.68 2jdk s ALA 10 Cb -0.42 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.25 2jdk s ALA 10 CO 0.48 -1.33 1.07 0.09 0.00 0.00 0.00 175.76 176.08 2jdk n ASN 11 N -1.70 -5.40 -4.16 0.00 3.02 0.12 -4.88 115.26 102.27 2jdk n ASN 11 Ca 0.14 -0.66 -0.29 0.00 -0.03 0.00 0.00 54.58 53.74 2jdk n ASN 11 Cb 0.49 -4.46 -0.17 0.00 -0.61 0.00 0.00 39.78 35.04 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 -3.32 1.68 0.32 3.41 2.01 -1.25 -4.86 115.64 113.64 2jdk s THR 12 Ca 0.60 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 2jdk s THR 12 Cb -0.28 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 2jdk s THR 12 CO 0.78 0.48 1.15 -0.13 -0.69 0.00 0.00 174.62 176.21 2jdk s ARG 13 N 0.24 4.45 0.03 4.92 0.52 -1.26 -0.78 118.95 127.07 2jdk s ARG 13 Ca -0.11 1.88 -0.03 0.00 -0.52 0.00 0.00 55.73 56.95 2jdk s ARG 13 Cb -0.15 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 2jdk s ARG 13 CO 0.05 0.01 0.05 -0.59 0.02 0.00 0.00 175.30 174.84 2jdk s PHE 14 N -1.23 0.25 0.14 -0.53 -0.71 -0.15 -4.10 117.98 111.66 2jdk s PHE 14 Ca 0.48 -0.57 -0.11 0.00 -1.04 0.00 0.00 56.93 55.70 2jdk s PHE 14 Cb -0.33 -0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.23 2jdk s PHE 14 CO 0.42 -0.31 0.48 0.20 -1.34 0.00 0.00 175.22 174.67 2jdk s GLY 15 N -2.02 2.36 -0.04 1.99 0.00 -0.29 -1.20 107.32 108.13 2jdk s GLY 15 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2jdk s GLY 15 CO -0.04 -0.08 -0.02 0.54 0.00 0.00 0.00 173.10 173.50 2jdk s VAL 16 N -1.54 0.35 -0.02 1.40 0.11 -0.38 -1.47 120.40 118.85 2jdk s VAL 16 Ca 0.39 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2jdk s VAL 16 Cb -0.13 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2jdk s VAL 16 CO 0.20 0.19 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.25 2jdk s THR 17 N 1.01 0.17 0.05 5.04 2.01 -0.34 -1.39 115.64 122.19 2jdk s THR 17 Ca -0.10 0.01 0.08 0.00 0.31 0.00 0.00 61.69 61.99 2jdk s THR 17 Cb -0.14 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 2jdk s THR 17 CO -0.01 0.10 -0.23 0.00 -0.69 0.00 0.00 174.62 173.80 2jdk s ALA 18 N 0.56 1.94 0.10 7.40 0.00 -0.33 -0.74 121.76 130.68 2jdk s ALA 18 Ca -0.05 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.84 2jdk s ALA 18 Cb -0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2jdk s ALA 18 CO -0.01 0.44 -0.22 -0.06 0.00 0.00 0.00 175.76 175.91 2jdk s PHE 19 N -0.83 1.86 0.02 0.00 0.40 0.27 -0.52 117.98 119.17 2jdk s PHE 19 Ca 0.09 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2jdk s PHE 19 Cb -0.09 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 2jdk s PHE 19 CO 0.02 0.20 -0.24 0.00 0.70 0.00 0.00 175.22 175.90 2jdk s ALA 20 N -1.09 2.31 -0.43 5.36 0.00 -0.76 -0.99 121.76 126.16 2jdk s ALA 20 Ca 0.07 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.91 2jdk s ALA 20 Cb -0.10 -0.57 0.24 0.00 0.00 0.00 0.00 23.12 22.69 2jdk s ALA 20 CO 0.04 0.54 0.63 0.09 0.00 0.00 0.00 175.76 177.06 2jdk n ASN 21 N 1.97 -1.04 -3.54 0.00 3.02 -0.20 -1.36 115.26 114.10 2jdk n ASN 21 Ca -0.17 -2.87 -0.10 0.00 -0.03 0.00 0.00 54.58 51.42 2jdk n ASN 21 Cb 0.52 0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.91 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 -1.13 -0.39 0.52 6.41 0.15 0.18 -4.10 113.70 115.35 2jdk s SER 22 Ca 0.34 0.27 0.31 0.00 0.70 0.00 0.00 55.95 57.56 2jdk s SER 22 Cb 0.17 0.35 1.20 0.00 -1.71 0.00 0.00 66.02 66.02 2jdk s SER 22 CO -0.16 -0.47 1.92 0.77 1.20 0.00 0.00 173.24 176.51 2jdk h SER 23 N 2.37 0.00 -3.68 5.45 4.64 -1.97 -3.35 113.55 117.01 2jdk h SER 23 Ca -0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.62 2jdk h SER 23 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2jdk h SER 23 CO 0.31 0.04 0.19 -0.83 -0.87 0.00 0.00 176.83 175.67 2jdk s GLY 24 N -4.20 2.67 0.02 -0.77 0.00 -1.26 -4.96 107.32 98.82 2jdk s GLY 24 Ca 0.02 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2jdk s GLY 24 CO 0.57 0.67 1.46 -1.59 0.00 0.00 0.00 173.10 174.21 2jdk s THR 25 N -1.57 3.53 -0.02 0.90 2.01 -1.26 -4.73 115.64 114.50 2jdk s THR 25 Ca 0.46 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 63.24 2jdk s THR 25 Cb -0.17 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2jdk s THR 25 CO 0.22 -0.00 0.41 -1.10 -0.69 0.00 0.00 174.62 173.46 2jdk s GLN 26 N 2.42 3.99 -0.17 4.92 -1.52 -0.02 -4.19 119.66 125.09 2jdk s GLN 26 Ca 0.66 0.40 0.01 0.00 -1.95 0.00 0.00 55.36 54.48 2jdk s GLN 26 Cb -0.34 -3.26 0.02 0.00 -0.22 0.00 0.00 33.01 29.21 2jdk s GLN 26 CO 0.28 0.60 -0.19 0.99 -0.25 0.00 0.00 175.29 176.72 2jdk s THR 27 N -0.77 1.94 -0.21 -0.19 2.01 0.08 -1.91 115.64 116.58 2jdk s THR 27 Ca 0.24 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 2jdk s THR 27 Cb -0.16 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2jdk s THR 27 CO 0.12 0.52 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.86 2jdk s VAL 28 N 1.33 3.60 -0.18 3.82 1.01 0.11 -1.21 120.40 128.89 2jdk s VAL 28 Ca 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2jdk s VAL 28 Cb -0.13 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2jdk s VAL 28 CO -0.12 0.42 -0.05 0.20 0.00 0.00 0.00 175.10 175.55 2jdk s ASN 29 N 1.27 4.49 -0.22 3.32 0.02 -0.09 -0.99 114.94 122.74 2jdk s ASN 29 Ca 0.03 -0.27 -0.03 0.00 -1.02 0.00 0.00 52.86 51.57 2jdk s ASN 29 Cb -0.14 -1.74 -0.00 0.00 0.02 0.00 0.00 41.25 39.38 2jdk s ASN 29 CO -0.01 0.09 -0.05 -0.69 0.02 0.00 0.00 177.10 176.46 2jdk s VAL 30 N 0.84 3.21 -0.11 1.60 1.01 -0.19 -0.91 120.40 125.85 2jdk s VAL 30 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2jdk s VAL 30 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2jdk s VAL 30 CO 0.01 0.39 0.02 -0.76 0.00 0.00 0.00 175.10 174.77 2jdk s LEU 31 N 1.44 3.65 -0.14 3.92 1.02 0.51 -0.24 118.68 128.85 2jdk s LEU 31 Ca 0.05 0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.36 2jdk s LEU 31 Cb -0.14 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.22 2jdk s LEU 31 CO -0.04 0.33 -0.20 -0.69 0.02 0.00 0.00 176.35 175.76 2jdk s VAL 32 N -0.57 1.96 -1.52 -1.59 1.01 0.13 -1.00 120.40 118.82 2jdk s VAL 32 Ca 0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2jdk s VAL 32 Cb -0.12 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.60 2jdk s VAL 32 CO 0.02 0.53 0.84 -3.20 0.00 0.00 0.00 175.10 173.29 2jdk n ASN 33 N 4.17 -3.41 -0.71 3.32 5.15 -0.08 -1.67 115.26 122.04 2jdk n ASN 33 Ca -0.20 -0.86 -0.09 0.00 -0.60 0.00 0.00 54.58 52.83 2jdk n ASN 33 Cb 0.51 -3.60 -0.04 0.00 -0.53 0.00 0.00 39.78 36.13 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 -2.85 -4.60 -4.17 1.20 3.02 -1.26 -5.00 115.26 101.59 2jdk n ASN 34 Ca -0.05 0.23 -0.27 0.00 -0.03 0.00 0.00 54.58 54.46 2jdk n ASN 34 Cb 0.56 -2.91 -0.16 0.00 -0.61 0.00 0.00 39.78 36.66 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 -2.56 1.79 0.21 3.52 0.41 -0.67 -5.07 118.70 116.33 2jdk s GLU 35 Ca 0.00 -0.68 -0.32 0.00 -0.41 0.00 0.00 54.97 53.56 2jdk s GLU 35 Cb 0.00 -1.61 -0.12 0.00 -1.78 0.00 0.00 34.13 30.62 2jdk s GLU 35 CO 0.00 0.33 1.71 2.41 -0.49 0.00 0.00 175.26 179.22 2jdk n THR 36 N 2.92 0.02 -0.01 3.63 -1.04 -1.26 -0.69 114.28 117.84 2jdk n THR 36 Ca -0.17 -0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2jdk n THR 36 Cb 0.53 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.07 2jdk n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jdk n ALA 37 N 3.91 1.99 -3.34 2.41 0.00 0.67 -4.86 120.51 121.28 2jdk n ALA 37 Ca 0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 2jdk n ALA 37 Cb 0.34 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.09 -1.15 -0.02 0.00 0.00 -1.03 -5.01 121.76 112.45 2jdk s ALA 38 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2jdk s ALA 38 Cb 0.01 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2jdk s ALA 38 CO 0.09 -0.30 0.02 0.99 0.00 0.00 0.00 175.76 176.56 2jdk s THR 39 N -1.26 0.01 0.02 0.00 2.01 -1.26 -1.02 115.64 114.13 2jdk s THR 39 Ca -0.12 0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.14 2jdk s THR 39 Cb -0.03 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2jdk s THR 39 CO 0.06 0.10 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.48 2jdk s PHE 40 N 1.05 2.30 0.03 4.92 0.08 -0.16 -4.99 117.98 121.21 2jdk s PHE 40 Ca -0.09 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.54 2jdk s PHE 40 Cb -0.13 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2jdk s PHE 40 CO -0.03 0.05 -0.05 -1.12 -0.10 0.00 0.00 175.22 173.98 2jdk s SER 41 N -0.97 0.46 0.00 1.36 0.01 -1.26 -0.71 113.70 112.60 2jdk s SER 41 Ca 0.11 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2jdk s SER 41 Cb -0.10 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2jdk s SER 41 CO 0.01 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2jdk n GLY 42 N 1.62 0.03 2.92 3.44 0.00 -0.81 -4.88 105.19 107.51 2jdk n GLY 42 Ca -0.23 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 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 0.71 -0.07 1.61 -0.44 -1.26 -0.84 119.66 117.36 2jdk s GLN 43 Ca 0.00 -0.14 -0.30 0.00 -2.50 0.00 0.00 55.36 52.42 2jdk s GLN 43 Cb 0.00 -0.71 0.07 0.00 -1.64 0.00 0.00 33.01 30.73 2jdk s GLN 43 CO 0.00 -0.01 0.69 0.45 0.50 0.00 0.00 175.29 176.92 2jdk s SER 44 N 0.57 -0.66 -0.09 6.67 0.15 -1.26 -5.00 113.70 114.09 2jdk s SER 44 Ca -0.07 0.77 0.14 0.00 0.70 0.00 0.00 55.95 57.49 2jdk s SER 44 Cb -0.11 0.61 0.46 0.00 -1.71 0.00 0.00 66.02 65.27 2jdk s SER 44 CO 0.00 -0.58 1.38 0.35 1.20 0.00 0.00 173.24 175.59 2jdk n THR 45 N 1.05 1.64 -2.03 6.45 -2.24 -1.26 -0.65 114.28 117.24 2jdk n THR 45 Ca -0.18 -1.38 0.05 0.00 -2.27 0.00 0.00 64.05 60.27 2jdk n THR 45 Cb 0.57 0.14 0.11 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.19 1.35 -1.37 3.42 3.02 -1.26 -4.81 115.26 115.80 2jdk n ASN 46 Ca 0.17 -2.94 -0.14 0.00 -0.03 0.00 0.00 54.58 51.65 2jdk n ASN 46 Cb 0.68 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.32 -4.48 -4.75 6.41 5.15 -0.47 -4.95 115.26 111.86 2jdk n ASN 47 Ca 0.12 0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.87 2jdk n ASN 47 Cb 0.91 -3.46 0.04 0.00 -0.53 0.00 0.00 39.78 36.75 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 -2.62 2.69 -0.16 5.20 0.00 -1.23 -4.52 121.76 121.12 2jdk s ALA 48 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 2jdk s ALA 48 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2jdk s ALA 48 CO 0.00 -1.35 1.41 0.08 0.00 0.00 0.00 175.76 175.90 2jdk s VAL 49 N -1.38 4.02 -1.82 0.00 1.01 -1.26 -1.82 120.40 119.15 2jdk s VAL 49 Ca 0.74 1.21 0.22 0.00 0.00 0.00 0.00 61.98 64.16 2jdk s VAL 49 Cb -0.38 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2jdk s VAL 49 CO 0.43 -0.18 1.06 2.30 0.00 0.00 0.00 175.10 178.71 2jdk n ILE 50 N 5.63 0.00 0.00 2.22 -5.35 0.32 -4.98 119.36 117.19 2jdk n ILE 50 Ca 0.15 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2jdk n ILE 50 Cb 0.45 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 2jdk n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jdk n GLY 51 N 1.44 0.80 3.37 3.28 0.00 -1.21 -4.22 105.19 108.65 2jdk n GLY 51 Ca 0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 2jdk n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jdk s THR 52 N -2.00 0.01 0.13 2.61 -1.32 -1.26 -1.18 115.64 112.63 2jdk s THR 52 Ca 0.00 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.14 2jdk s THR 52 Cb 0.00 -0.71 0.07 0.00 -1.51 0.00 0.00 72.50 70.35 2jdk s THR 52 CO 0.00 -0.05 0.63 -1.58 -2.21 0.00 0.00 174.62 171.41 2jdk s GLN 53 N -0.27 1.22 -0.14 7.08 0.74 -0.48 -5.01 119.66 122.81 2jdk s GLN 53 Ca -0.04 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 54.95 2jdk s GLN 53 Cb -0.03 0.57 -0.02 0.00 1.10 0.00 0.00 33.01 34.62 2jdk s GLN 53 CO 0.03 -0.53 -0.10 0.08 -0.55 0.00 0.00 175.29 174.22 2jdk s VAL 54 N -3.52 3.31 0.33 1.34 1.01 -1.26 -1.25 120.40 120.35 2jdk s VAL 54 Ca 0.01 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2jdk s VAL 54 Cb -0.01 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2jdk s VAL 54 CO -0.11 0.52 0.01 -0.76 0.00 0.00 0.00 175.10 174.75 2jdk s LEU 55 N 0.34 2.42 -0.10 3.92 1.43 -0.34 -4.96 118.68 121.39 2jdk s LEU 55 Ca -0.09 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 51.72 2jdk s LEU 55 Cb -0.15 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2jdk s LEU 55 CO 0.05 -0.49 -0.14 0.21 0.23 0.00 0.00 176.35 176.21 2jdk s ASN 56 N -3.52 3.95 0.00 2.29 3.84 -1.26 -0.97 114.94 119.27 2jdk s ASN 56 Ca 0.34 -0.29 0.19 0.00 0.21 0.00 0.00 52.86 53.30 2jdk s ASN 56 Cb 0.07 -1.30 0.80 0.00 -0.55 0.00 0.00 41.25 40.28 2jdk s ASN 56 CO 0.15 0.23 1.60 -1.54 -2.79 0.00 0.00 177.10 174.75 2jdk n SER 57 N 3.06 0.00 -0.80 -4.21 3.41 0.04 -4.89 113.62 110.23 2jdk n SER 57 Ca -0.18 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2jdk n SER 57 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.42 -1.05 0.20 5.00 0.00 -1.26 -2.24 105.19 106.26 2jdk n GLY 58 Ca 0.05 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.05 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 0.84 1.61 4.64 -1.94 0.36 113.55 119.06 2jdk h SER 59 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2jdk h SER 59 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jdk h SER 59 CO 0.00 0.34 -1.24 0.77 -0.87 0.00 0.00 176.83 175.82 2jdk h SER 60 N 0.00 0.00 0.00 4.97 4.64 -1.97 -3.45 113.55 117.75 2jdk h SER 60 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdk h SER 60 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2jdk h SER 60 CO 0.04 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2jdk n GLY 61 N 1.35 0.65 3.67 -0.77 0.00 -0.95 -4.83 105.19 104.30 2jdk n GLY 61 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.38 4.29 -0.06 1.61 2.20 -1.26 -0.37 119.74 125.78 2jdk s LYS 62 Ca 0.00 1.32 0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2jdk s LYS 62 Cb 0.00 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2jdk s LYS 62 CO 0.00 -0.53 -0.18 0.08 -0.36 0.00 0.00 175.35 174.36 2jdk s VAL 63 N 2.83 1.55 -0.01 4.02 1.01 -0.34 -0.91 120.40 128.55 2jdk s VAL 63 Ca 0.44 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2jdk s VAL 63 Cb -0.16 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 2jdk s VAL 63 CO 0.09 0.44 -0.10 -1.58 0.00 0.00 0.00 175.10 173.96 2jdk s GLN 64 N 0.17 0.89 -0.14 2.72 0.74 -0.17 -0.71 119.66 123.16 2jdk s GLN 64 Ca -0.08 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 2jdk s GLN 64 Cb -0.14 -0.84 -0.02 0.00 1.10 0.00 0.00 33.01 33.11 2jdk s GLN 64 CO 0.04 0.18 -0.06 0.08 -0.55 0.00 0.00 175.29 174.97 2jdk s VAL 65 N -0.08 3.67 0.04 1.34 1.01 0.30 -0.36 120.40 126.32 2jdk s VAL 65 Ca 0.01 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2jdk s VAL 65 Cb -0.06 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2jdk s VAL 65 CO -0.00 0.51 -0.20 -1.10 0.00 0.00 0.00 175.10 174.31 2jdk s GLN 66 N 0.24 1.34 -0.03 2.72 -0.21 -0.09 -4.71 119.66 118.92 2jdk s GLN 66 Ca -0.04 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.45 2jdk s GLN 66 Cb -0.14 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.43 2jdk s GLN 66 CO 0.04 0.37 -0.13 0.08 -2.12 0.00 0.00 175.29 173.53 2jdk s VAL 67 N -0.80 1.07 0.05 1.09 1.01 -1.26 -0.91 120.40 120.64 2jdk s VAL 67 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 2jdk s VAL 67 Cb -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2jdk s VAL 67 CO 0.02 0.32 -0.04 -0.94 0.00 0.00 0.00 175.10 174.46 2jdk s SER 68 N 0.11 0.55 -0.16 3.32 1.04 -0.35 -0.67 113.70 117.54 2jdk s SER 68 Ca -0.03 -0.92 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 2jdk s SER 68 Cb -0.10 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.24 2jdk s SER 68 CO 0.01 -0.53 -0.02 -0.69 0.98 0.00 0.00 173.24 172.99 2jdk s VAL 69 N -3.48 0.83 -1.54 5.02 1.01 -0.44 -0.74 120.40 121.07 2jdk s VAL 69 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2jdk s VAL 69 Cb 0.05 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.39 2jdk s VAL 69 CO -0.08 0.02 0.74 0.59 0.00 0.00 0.00 175.10 176.38 2jdk n ASN 70 N 4.96 -2.76 0.00 3.32 3.02 -1.26 -1.40 115.26 121.15 2jdk n ASN 70 Ca -0.10 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2jdk n ASN 70 Cb 0.48 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 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 -1.65 2.26 3.67 7.41 0.00 -1.26 -5.02 105.19 110.60 2jdk n GLY 71 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.00 4.29 0.18 1.61 0.52 -0.49 -5.02 118.95 120.03 2jdk s ARG 72 Ca 0.00 0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 55.82 2jdk s ARG 72 Cb 0.00 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 31.81 2jdk s ARG 72 CO 0.00 -0.29 1.46 -1.25 0.02 0.00 0.00 175.30 175.24 2jdk s PRO 73 N 2.03 4.27 0.40 3.54 0.04 -1.26 -1.32 135.00 142.70 2jdk s PRO 73 Ca 0.36 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.43 2jdk s PRO 73 Cb -0.16 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 2jdk s PRO 73 CO 0.12 -0.48 0.92 -1.12 0.04 0.00 0.00 177.00 176.49 2jdk s SER 74 N 0.85 6.97 0.27 6.66 0.01 0.15 -4.92 113.70 123.69 2jdk s SER 74 Ca 0.64 1.66 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 2jdk s SER 74 Cb -0.41 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.21 2jdk s SER 74 CO 0.35 -0.30 1.11 -0.62 0.41 0.00 0.00 173.24 174.19 2jdk s ASP 75 N -2.11 7.24 0.23 2.44 2.15 -0.96 -4.76 116.67 120.89 2jdk s ASP 75 Ca 0.59 2.27 0.09 0.00 0.43 0.00 0.00 52.55 55.93 2jdk s ASP 75 Cb -0.10 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.85 2jdk s ASP 75 CO 0.15 -0.18 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.19 2jdk s LEU 76 N -1.27 3.19 0.01 -1.34 1.43 -1.26 -1.10 118.68 118.34 2jdk s LEU 76 Ca 0.46 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2jdk s LEU 76 Cb -0.32 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2jdk s LEU 76 CO 0.41 0.04 -0.03 0.54 0.23 0.00 0.00 176.35 177.54 2jdk s VAL 77 N -2.07 0.21 0.17 -1.59 0.11 -0.54 -4.85 120.40 111.84 2jdk s VAL 77 Ca 0.29 -0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 2jdk s VAL 77 Cb -0.08 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2jdk s VAL 77 CO 0.19 -0.09 0.48 -0.94 -3.33 0.00 0.00 175.10 171.40 2jdk s SER 78 N -0.48 -0.27 0.11 3.54 1.04 -1.26 -0.56 113.70 115.83 2jdk s SER 78 Ca -0.03 -0.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.75 2jdk s SER 78 Cb -0.04 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.70 2jdk s SER 78 CO -0.00 -0.97 0.81 0.00 0.98 0.00 0.00 173.24 174.06 2jdk s ALA 79 N -3.84 -1.65 -0.04 5.32 0.00 -0.85 -4.92 121.76 115.79 2jdk s ALA 79 Ca 0.07 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.59 2jdk s ALA 79 Cb 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2jdk s ALA 79 CO -0.07 -0.84 -0.20 -1.14 0.00 0.00 0.00 175.76 173.52 2jdk s GLN 80 N -3.42 2.33 -0.03 0.00 0.74 -1.26 -0.89 119.66 117.13 2jdk s GLN 80 Ca 0.06 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.69 2jdk s GLN 80 Cb -0.02 -2.22 0.01 0.00 1.10 0.00 0.00 33.01 31.88 2jdk s GLN 80 CO -0.05 0.59 -0.07 0.14 -0.55 0.00 0.00 175.29 175.35 2jdk s VAL 81 N -0.66 0.61 -0.14 1.34 -7.23 -0.02 -5.00 120.40 109.30 2jdk s VAL 81 Ca 0.10 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.05 2jdk s VAL 81 Cb -0.10 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.28 2jdk s VAL 81 CO -0.00 0.20 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.15 2jdk s ILE 82 N 0.33 2.11 -0.08 -0.62 1.01 -1.26 -1.34 121.20 121.35 2jdk s ILE 82 Ca -0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2jdk s ILE 82 Cb -0.09 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2jdk s ILE 82 CO 0.00 0.55 0.01 -0.76 0.00 0.00 0.00 174.94 174.74 2jdk s LEU 83 N 0.76 3.65 -1.29 2.97 1.43 0.06 -4.54 118.68 121.72 2jdk s LEU 83 Ca -0.08 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2jdk s LEU 83 Cb -0.16 -1.86 0.13 0.00 0.03 0.00 0.00 46.19 44.33 2jdk s LEU 83 CO -0.01 0.37 0.47 1.07 0.23 0.00 0.00 176.35 178.48 2jdk n THR 84 N 2.05 -0.45 -2.27 5.49 5.66 -1.26 -1.31 114.28 122.19 2jdk n THR 84 Ca -0.18 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 2jdk n THR 84 Cb 0.54 -0.97 -0.02 0.00 -1.55 0.00 0.00 70.33 68.32 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 -2.24 -5.49 0.00 1.09 5.15 -1.26 -4.69 115.26 107.82 2jdk n ASN 85 Ca 0.05 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2jdk n ASN 85 Cb 0.49 -4.63 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 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 -2.86 0.00 -3.22 1.20 4.07 -0.55 -5.09 120.64 114.19 2jdk n GLU 86 Ca -0.22 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.48 2jdk n GLU 86 Cb 0.67 -0.10 -0.07 0.00 -0.06 0.00 0.00 31.44 31.88 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 -4.15 4.10 -0.09 4.31 2.96 -0.43 -4.40 118.68 120.98 2jdk s LEU 87 Ca 0.00 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 2jdk s LEU 87 Cb 0.00 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 2jdk s LEU 87 CO 0.00 -0.25 -0.10 0.20 -1.32 0.00 0.00 176.35 174.88 2jdk s ASN 88 N 1.35 4.31 -0.09 3.68 -0.87 -0.09 -0.76 114.94 122.48 2jdk s ASN 88 Ca 0.23 -0.17 0.03 0.00 -1.57 0.00 0.00 52.86 51.38 2jdk s ASN 88 Cb -0.15 -1.27 0.01 0.00 -0.02 0.00 0.00 41.25 39.81 2jdk s ASN 88 CO 0.09 0.28 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.36 2jdk s PHE 89 N -0.32 2.02 -0.22 2.20 0.08 -0.45 -2.06 117.98 119.24 2jdk s PHE 89 Ca 0.04 -0.83 -0.03 0.00 0.12 0.00 0.00 56.93 56.22 2jdk s PHE 89 Cb -0.13 -1.41 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2jdk s PHE 89 CO 0.02 -0.38 -0.06 0.00 -0.10 0.00 0.00 175.22 174.70 2jdk s ALA 90 N 0.59 2.74 -0.05 5.36 0.00 0.20 -0.84 121.76 129.77 2jdk s ALA 90 Ca -0.15 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.67 2jdk s ALA 90 Cb -0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2jdk s ALA 90 CO 0.05 -0.47 -0.25 -0.51 0.00 0.00 0.00 175.76 174.58 2jdk s LEU 91 N 1.44 2.06 -0.03 0.00 1.43 -0.07 -0.62 118.68 122.89 2jdk s LEU 91 Ca 0.05 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2jdk s LEU 91 Cb -0.14 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2jdk s LEU 91 CO -0.05 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.05 2jdk s VAL 92 N -0.29 0.59 0.36 -1.59 1.01 -0.11 -2.00 120.40 118.36 2jdk s VAL 92 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2jdk s VAL 92 Cb -0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 2jdk s VAL 92 CO 0.02 0.22 0.04 -0.83 0.00 0.00 0.00 175.10 174.55 2jdk s GLY 93 N 0.58 2.16 -0.02 4.51 0.00 0.28 -0.80 107.32 114.03 2jdk s GLY 93 Ca -0.08 -2.02 -0.19 0.00 0.00 0.00 0.00 44.72 42.42 2jdk s GLY 93 CO 0.00 -1.92 0.42 -1.35 0.00 0.00 0.00 173.10 170.25 2jdk s SER 94 N -3.75 -0.33 -0.11 1.64 1.04 -0.84 -1.47 113.70 109.89 2jdk s SER 94 Ca 0.36 0.24 0.01 0.00 0.48 0.00 0.00 55.95 57.05 2jdk s SER 94 Cb 0.02 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2jdk s SER 94 CO 0.20 -0.52 -0.14 -0.70 0.98 0.00 0.00 173.24 173.06 2jdk s GLU 95 N -1.43 2.16 0.00 4.02 2.56 -0.26 -1.54 118.70 124.22 2jdk s GLU 95 Ca -0.12 -0.53 0.16 0.00 0.00 0.00 0.00 54.97 54.48 2jdk s GLU 95 Cb -0.03 -1.87 0.17 0.00 2.00 0.00 0.00 34.13 34.39 2jdk s GLU 95 CO 0.05 -0.10 1.06 -0.40 -0.56 0.00 0.00 175.26 175.31 2jdk n ASP 96 N 4.31 2.47 0.00 -1.70 5.68 -1.26 -2.28 116.55 123.77 2jdk n ASP 96 Ca -0.18 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 2jdk n ASP 96 Cb 0.51 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.92 4.71 0.00 6.12 0.00 -1.26 -5.06 105.19 110.62 2jdk n GLY 97 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.64 2.61 -2.24 -1.26 -4.69 114.28 109.34 2jdk n THR 98 Ca 0.00 -0.34 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2jdk n THR 98 Cb 0.00 0.86 0.45 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.07 0.63 -3.27 3.42 5.75 -1.26 -4.92 116.55 115.82 2jdk n ASP 99 Ca 0.00 0.58 -0.24 0.00 -0.01 0.00 0.00 54.79 55.12 2jdk n ASP 99 Cb 0.00 -0.74 0.02 0.00 -1.03 0.00 0.00 41.12 39.37 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 -2.11 -5.09 0.25 -1.12 3.02 -1.26 -4.88 115.26 104.07 2jdk n ASN 100 Ca 0.05 -0.39 0.14 0.00 -0.03 0.00 0.00 54.58 54.36 2jdk n ASN 100 Cb 0.37 -4.13 0.41 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.37 0.00 -2.96 6.41 2.03 -1.93 -3.47 116.42 115.12 2jdk h ASP 101 Ca -0.50 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.47 2jdk h ASP 101 Cb 1.34 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.80 2jdk h ASP 101 CO 0.56 0.01 -0.40 -1.22 -1.03 0.00 0.00 179.24 177.16 2jdk n TYR 102 N -3.10 -1.00 -0.16 4.15 4.01 -1.26 -4.83 117.16 114.97 2jdk n TYR 102 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2jdk n TYR 102 Cb 0.43 -3.29 0.06 0.00 -0.31 0.00 0.00 39.34 36.23 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 -1.70 2.32 -0.21 7.72 6.94 -1.14 -1.98 115.26 127.22 2jdk n ASN 103 Ca -0.19 -2.12 -0.09 0.00 -0.02 0.00 0.00 54.58 52.16 2jdk n ASN 103 Cb 0.63 -0.11 0.02 0.00 -2.36 0.00 0.00 39.78 37.96 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 0.99 -3.88 0.53 3.32 -1.43 -3.24 116.42 113.28 2jdk h ASP 104 Ca 0.00 -0.29 -0.55 0.00 0.02 0.00 0.00 57.03 56.20 2jdk h ASP 104 Cb 0.63 -0.27 -0.31 0.00 0.22 0.00 0.00 39.33 39.60 2jdk h ASP 104 CO 0.01 1.04 -0.83 0.00 -1.72 0.00 0.00 179.24 177.73 2jdk s ALA 105 N -5.08 1.49 -0.11 3.45 0.00 -1.26 -1.04 121.76 119.22 2jdk s ALA 105 Ca -0.12 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2jdk s ALA 105 Cb 0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2jdk s ALA 105 CO 0.84 0.26 -0.19 0.08 0.00 0.00 0.00 175.76 176.76 2jdk s VAL 106 N 0.06 2.51 -0.08 0.00 1.01 -0.16 -2.50 120.40 121.24 2jdk s VAL 106 Ca -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2jdk s VAL 106 Cb -0.11 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2jdk s VAL 106 CO 0.02 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.81 2jdk s VAL 107 N 0.26 1.53 -0.17 2.92 1.01 0.02 -0.56 120.40 125.40 2jdk s VAL 107 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2jdk s VAL 107 Cb -0.17 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2jdk s VAL 107 CO 0.07 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 2jdk s VAL 108 N 0.50 2.52 -0.11 2.92 1.01 0.08 -0.94 120.40 126.38 2jdk s VAL 108 Ca -0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2jdk s VAL 108 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2jdk s VAL 108 CO 0.06 0.51 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 2jdk s ILE 109 N 1.09 3.89 0.01 2.22 1.01 0.21 -1.20 121.20 128.43 2jdk s ILE 109 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2jdk s ILE 109 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2jdk s ILE 109 CO -0.05 0.55 -0.03 0.54 0.00 0.00 0.00 174.94 175.95 2jdk s ASN 110 N -0.23 0.24 0.20 3.58 4.22 -0.54 -0.63 114.94 121.78 2jdk s ASN 110 Ca 0.04 -0.29 -0.21 0.00 -2.14 0.00 0.00 52.86 50.26 2jdk s ASN 110 Cb -0.13 0.04 0.05 0.00 1.28 0.00 0.00 41.25 42.49 2jdk s ASN 110 CO 0.02 -0.15 0.61 -1.66 -2.04 0.00 0.00 177.10 173.89 2jdk s TRP 111 N -0.80 -0.35 0.90 1.54 -2.14 -0.87 -1.14 118.94 116.08 2jdk s TRP 111 Ca -0.08 0.04 -0.12 0.00 2.66 0.00 0.00 56.10 58.61 2jdk s TRP 111 Cb -0.06 0.56 0.13 0.00 -3.10 0.00 0.00 33.47 31.01 2jdk s TRP 111 CO -0.00 -0.97 1.10 -1.25 -2.66 0.00 0.00 176.95 173.16 2jdk s PRO 112 N -3.82 1.22 0.46 3.25 0.04 -1.26 -0.91 135.00 133.97 2jdk s PRO 112 Ca 0.05 0.72 0.08 0.00 0.04 0.00 0.00 61.00 61.88 2jdk s PRO 112 Cb -0.02 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2jdk s PRO 112 CO -0.05 -2.24 0.45 -0.51 0.04 0.00 0.00 177.00 174.69 2jdk s LEU 113 N -6.19 3.25 0.00 -3.56 1.43 -1.26 -4.98 118.68 107.37 2jdk s LEU 113 Ca 0.63 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2jdk s LEU 113 Cb -0.17 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2jdk s LEU 113 CO 0.56 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.92