#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcc n ASP 1 N 0.00 -5.37 -4.03 7.83 8.00 -1.24 -5.09 116.55 116.65 2jcc n ASP 1 Ca 0.00 0.78 -0.10 0.00 0.71 0.00 0.00 54.79 56.19 2jcc n ASP 1 Cb 0.00 -3.43 -0.08 0.00 -0.02 0.00 0.00 41.12 37.59 2jcc n ASP 1 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jcc s SER 2 N -0.96 0.13 -0.02 -2.24 1.04 -1.00 -4.98 113.70 105.67 2jcc s SER 2 Ca 0.01 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.49 2jcc s SER 2 Cb -0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2jcc s SER 2 CO 0.44 -0.83 -0.14 -0.69 0.98 0.00 0.00 173.24 172.99 2jcc s VAL 3 N -4.00 1.17 -0.24 5.02 1.01 -1.26 -1.41 120.40 120.69 2jcc s VAL 3 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2jcc s VAL 3 Cb 0.05 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.50 2jcc s VAL 3 CO 0.01 0.34 -0.02 -0.89 0.00 0.00 0.00 175.10 174.54 2jcc s THR 4 N -0.13 1.33 0.28 3.92 2.01 0.11 -4.80 115.64 118.36 2jcc s THR 4 Ca 0.01 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2jcc s THR 4 Cb -0.08 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2jcc s THR 4 CO 0.00 -0.21 0.47 -1.10 -0.69 0.00 0.00 174.62 173.09 2jcc s GLN 5 N 1.47 3.49 0.08 4.92 -0.21 -1.26 -2.12 119.66 126.03 2jcc s GLN 5 Ca -0.02 -0.40 -0.36 0.00 0.02 0.00 0.00 55.36 54.59 2jcc s GLN 5 Cb -0.18 -2.76 -0.16 0.00 1.00 0.00 0.00 33.01 30.91 2jcc s GLN 5 CO -0.09 0.28 1.43 2.41 -2.12 0.00 0.00 175.29 177.20 2jcc n THR 6 N -1.35 0.03 -2.84 -0.19 -1.04 -0.97 -4.89 114.28 103.02 2jcc n THR 6 Ca -0.05 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 2jcc n THR 6 Cb 0.56 -1.04 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 2jcc n THR 6 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jcc s GLU 7 N 0.81 4.28 1.58 -2.82 2.12 -1.26 -4.49 118.70 118.92 2jcc s GLU 7 Ca 0.84 1.08 0.00 0.00 0.36 0.00 0.00 54.97 57.25 2jcc s GLU 7 Cb -0.88 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 29.91 2jcc s GLU 7 CO 0.46 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2jcc n GLY 8 N 3.46 0.82 3.52 -1.50 0.00 -1.26 -4.91 105.19 105.31 2jcc n GLY 8 Ca 0.06 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 2jcc n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jcc s LEU 9 N 0.00 3.24 -0.18 0.99 2.96 -1.26 -1.78 118.68 122.65 2jcc s LEU 9 Ca 0.00 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2jcc s LEU 9 Cb 0.00 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2jcc s LEU 9 CO 0.00 0.21 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.48 2jcc s VAL 10 N 0.09 3.27 -0.34 1.68 1.01 0.11 -4.99 120.40 121.24 2jcc s VAL 10 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2jcc s VAL 10 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.83 2jcc s VAL 10 CO 0.03 0.47 0.13 -0.89 0.00 0.00 0.00 175.10 174.84 2jcc s THR 11 N 1.01 4.10 -0.07 3.92 2.01 -1.26 -0.06 115.64 125.30 2jcc s THR 11 Ca -0.00 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2jcc s THR 11 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.10 2jcc s THR 11 CO -0.00 -0.14 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.40 2jcc s LEU 12 N 1.48 1.83 0.08 4.42 2.96 0.26 -5.00 118.68 124.71 2jcc s LEU 12 Ca 0.01 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2jcc s LEU 12 Cb -0.19 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 2jcc s LEU 12 CO 0.04 0.10 1.00 -0.89 -1.32 0.00 0.00 176.35 175.28 2jcc s THR 13 N 0.39 4.52 0.27 3.68 2.01 -1.26 -0.48 115.64 124.77 2jcc s THR 13 Ca -0.12 1.98 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 2jcc s THR 13 Cb -0.15 -4.27 -0.14 0.00 0.01 0.00 0.00 72.50 67.96 2jcc s THR 13 CO 0.04 0.25 1.13 -1.84 -0.69 0.00 0.00 174.62 173.51 2jcc n GLU 14 N 3.18 1.52 -0.21 4.92 0.28 -0.70 -2.08 120.64 127.55 2jcc n GLU 14 Ca 0.04 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 2jcc n GLU 14 Cb 0.49 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2jcc n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jcc n GLY 15 N 1.40 0.89 3.93 -1.84 0.00 0.06 -4.77 105.19 104.86 2jcc n GLY 15 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2jcc n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jcc s LEU 16 N 0.00 4.18 0.21 0.99 1.43 -0.88 -4.57 118.68 120.03 2jcc s LEU 16 Ca 0.00 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2jcc s LEU 16 Cb 0.00 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 2jcc s LEU 16 CO 0.00 -0.05 1.27 -2.84 0.23 0.00 0.00 176.35 174.96 2jcc s PRO 17 N -3.85 4.43 0.16 1.29 0.02 -1.18 -0.66 135.00 135.22 2jcc s PRO 17 Ca 0.34 2.01 -0.25 0.00 0.02 0.00 0.00 61.00 63.11 2jcc s PRO 17 Cb -0.09 -3.19 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 2jcc s PRO 17 CO 0.28 -0.18 0.77 0.08 -0.33 0.00 0.00 177.00 177.62 2jcc s VAL 18 N -0.11 4.37 -0.51 3.83 1.01 -0.44 -4.92 120.40 123.64 2jcc s VAL 18 Ca 0.54 1.69 0.07 0.00 0.00 0.00 0.00 61.98 64.28 2jcc s VAL 18 Cb -0.36 -4.13 0.20 0.00 0.00 0.00 0.00 36.38 32.09 2jcc s VAL 18 CO 0.39 0.52 0.74 0.80 0.00 0.00 0.00 175.10 177.56 2jcc n MET 19 N 1.60 0.58 -3.22 2.72 1.56 -1.25 -2.57 117.12 116.54 2jcc n MET 19 Ca -0.06 -2.05 -0.39 0.00 -0.27 0.00 0.00 57.70 54.94 2jcc n MET 19 Cb 0.49 -1.48 -0.06 0.00 2.15 0.00 0.00 33.22 34.33 2jcc n MET 19 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2jcc s LEU 20 N 0.46 4.31 0.01 -0.89 1.43 -0.62 -4.96 118.68 118.42 2jcc s LEU 20 Ca 0.31 0.99 -0.20 0.00 -1.03 0.00 0.00 54.13 54.19 2jcc s LEU 20 Cb 0.05 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2jcc s LEU 20 CO -0.10 -0.01 0.59 0.20 0.23 0.00 0.00 176.35 177.25 2jcc s ASN 21 N 0.51 6.99 -0.06 2.29 0.01 -1.26 -0.59 114.94 122.83 2jcc s ASN 21 Ca 0.30 1.18 -0.01 0.00 -0.71 0.00 0.00 52.86 53.62 2jcc s ASN 21 Cb -0.16 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.16 2jcc s ASN 21 CO 0.14 0.14 -0.00 0.00 -1.51 0.00 0.00 177.10 175.87 2jcc s THR 23 N 1.80 2.32 0.24 0.00 -4.23 -0.90 0.26 115.64 115.13 2jcc s THR 23 Ca 0.02 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.28 2jcc s THR 23 Cb -0.13 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2jcc s THR 23 CO -0.04 -0.32 0.26 -0.72 -0.54 0.00 0.00 174.62 173.26 2jcc s TYR 24 N -2.24 1.05 -0.13 3.99 -0.85 -0.99 0.06 117.35 118.24 2jcc s TYR 24 Ca 0.25 -1.26 -0.01 0.00 -0.52 0.00 0.00 57.07 55.53 2jcc s TYR 24 Cb -0.06 -0.36 0.03 0.00 0.38 0.00 0.00 41.96 41.95 2jcc s TYR 24 CO 0.12 -0.80 -0.03 -0.65 -1.52 0.00 0.00 175.55 172.67 2jcc s GLN 25 N -3.92 1.11 -0.04 -3.49 -0.21 -0.50 -4.86 119.66 107.75 2jcc s GLN 25 Ca 0.35 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.51 2jcc s GLN 25 Cb 0.04 -1.59 0.01 0.00 1.00 0.00 0.00 33.01 32.47 2jcc s GLN 25 CO 0.14 -0.37 -0.10 0.45 -2.12 0.00 0.00 175.29 173.29 2jcc s SER 26 N 1.79 1.36 -0.04 5.90 0.15 -1.26 -2.38 113.70 119.23 2jcc s SER 26 Ca 0.03 -0.21 -0.22 0.00 0.70 0.00 0.00 55.95 56.24 2jcc s SER 26 Cb -0.14 -0.47 -0.16 0.00 -1.71 0.00 0.00 66.02 63.55 2jcc s SER 26 CO -0.07 0.05 0.97 0.74 1.20 0.00 0.00 173.24 176.13 2jcc h THR 27 N 5.61 0.82 -1.13 6.45 2.02 -2.00 -3.47 112.91 121.21 2jcc h THR 27 Ca -0.34 -0.99 -0.45 0.00 0.77 0.00 0.00 66.41 65.40 2jcc h THR 27 Cb 1.17 1.33 0.03 0.00 -1.74 0.00 0.00 68.15 68.94 2jcc h THR 27 CO 0.48 0.19 -0.17 -0.31 0.37 0.00 0.00 175.52 176.08 2jcc s TYR 28 N -3.75 2.10 -0.09 3.16 1.51 -1.26 -5.02 117.35 114.01 2jcc s TYR 28 Ca -0.13 -0.56 -0.38 0.00 -1.01 0.00 0.00 57.07 54.99 2jcc s TYR 28 Cb 0.01 -2.30 -0.16 0.00 -0.11 0.00 0.00 41.96 39.39 2jcc s TYR 28 CO 0.50 -0.80 1.53 0.45 -1.11 0.00 0.00 175.55 176.11 2jcc n SER 29 N -2.06 1.96 -4.75 2.29 2.88 -1.26 -4.87 113.62 107.82 2jcc n SER 29 Ca 0.12 1.10 -0.40 0.00 -1.33 0.00 0.00 58.87 58.36 2jcc n SER 29 Cb 0.60 -1.16 -0.05 0.00 -0.75 0.00 0.00 64.21 62.85 2jcc n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jcc s PRO 30 N 1.94 4.50 -0.17 -1.46 0.04 -1.26 -5.04 135.00 133.54 2jcc s PRO 30 Ca 0.91 1.06 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2jcc s PRO 30 Cb -1.02 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 30.20 2jcc s PRO 30 CO 0.56 0.30 -0.11 -0.06 0.04 0.00 0.00 177.00 177.73 2jcc s PHE 31 N -0.11 2.24 0.15 0.56 0.40 -1.26 -5.07 117.98 114.89 2jcc s PHE 31 Ca 0.38 -1.39 0.11 0.00 -0.60 0.00 0.00 56.93 55.43 2jcc s PHE 31 Cb -0.21 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 2jcc s PHE 31 CO 0.23 -0.70 -0.25 -0.51 0.70 0.00 0.00 175.22 174.69 2jcc s LEU 32 N 1.46 2.35 0.03 -0.37 1.02 -1.26 -0.58 118.68 121.34 2jcc s LEU 32 Ca 0.01 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.39 2jcc s LEU 32 Cb -0.15 -1.16 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 2jcc s LEU 32 CO -0.09 0.14 -0.04 -0.36 0.02 0.00 0.00 176.35 176.02 2jcc s PHE 33 N -1.28 0.43 -0.14 0.29 0.40 0.62 -0.54 117.98 117.76 2jcc s PHE 33 Ca 0.15 -0.64 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 2jcc s PHE 33 Cb -0.09 -0.29 -0.03 0.00 0.51 0.00 0.00 43.02 43.12 2jcc s PHE 33 CO 0.07 -0.20 -0.04 -1.58 0.70 0.00 0.00 175.22 174.17 2jcc s TRP 34 N -2.00 3.02 0.09 0.36 0.52 -0.78 0.86 118.94 121.01 2jcc s TRP 34 Ca -0.09 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 55.88 2jcc s TRP 34 Cb -0.06 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2jcc s TRP 34 CO -0.02 0.05 -0.16 0.71 0.02 0.00 0.00 176.95 177.55 2jcc s TYR 35 N 0.10 2.60 -0.02 -1.98 1.51 0.18 -0.29 117.35 119.45 2jcc s TYR 35 Ca -0.01 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 2jcc s TYR 35 Cb -0.14 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2jcc s TYR 35 CO 0.03 0.36 -0.21 0.54 -1.11 0.00 0.00 175.55 175.16 2jcc s VAL 36 N -1.09 1.67 -0.22 0.71 0.11 -0.23 0.14 120.40 121.49 2jcc s VAL 36 Ca 0.18 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2jcc s VAL 36 Cb -0.11 -1.40 0.05 0.00 -1.53 0.00 0.00 36.38 33.40 2jcc s VAL 36 CO 0.09 0.47 -0.07 -1.58 -3.33 0.00 0.00 175.10 170.68 2jcc s GLN 37 N -0.42 1.80 0.37 1.54 0.74 0.18 -1.54 119.66 122.33 2jcc s GLN 37 Ca 0.06 -0.94 -0.24 0.00 0.05 0.00 0.00 55.36 54.29 2jcc s GLN 37 Cb -0.09 -2.52 -0.10 0.00 1.10 0.00 0.00 33.01 31.40 2jcc s GLN 37 CO -0.00 -0.53 0.98 -1.01 -0.55 0.00 0.00 175.29 174.18 2jcc s HIS 38 N 1.39 3.48 -0.25 1.67 3.76 -1.26 -0.29 115.29 123.78 2jcc s HIS 38 Ca -0.04 1.70 -0.37 0.00 -0.15 0.00 0.00 55.06 56.20 2jcc s HIS 38 Cb -0.18 -2.98 -0.17 0.00 1.11 0.00 0.00 32.58 30.37 2jcc s HIS 38 CO -0.07 -0.13 1.17 -0.11 -0.85 0.00 0.00 174.74 174.75 2jcc n LEU 39 N 0.12 0.60 -2.56 0.89 7.94 -1.26 -1.29 117.00 121.44 2jcc n LEU 39 Ca 0.04 0.99 -0.21 0.00 -1.11 0.00 0.00 56.01 55.72 2jcc n LEU 39 Cb 0.51 -0.76 0.01 0.00 0.53 0.00 0.00 43.42 43.71 2jcc n LEU 39 CO 0.43 -1.08 -0.16 0.59 -1.11 0.00 0.00 177.39 176.06 2jcc n ASN 40 N 2.52 -5.90 -4.34 1.96 3.02 -1.26 -4.99 115.26 106.26 2jcc n ASN 40 Ca 0.22 -0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.48 2jcc n ASN 40 Cb -0.00 -4.84 -0.10 0.00 -0.61 0.00 0.00 39.78 34.23 2jcc n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jcc s GLU 41 N -5.27 1.38 0.20 3.52 2.02 -0.41 -5.13 118.70 115.01 2jcc s GLU 41 Ca 0.11 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 2jcc s GLU 41 Cb -0.05 -0.57 -0.08 0.00 0.10 0.00 0.00 34.13 33.53 2jcc s GLU 41 CO 0.14 -0.14 1.16 0.00 0.02 0.00 0.00 175.26 176.44 2jcc s ALA 42 N -3.47 3.42 0.61 5.21 0.00 -1.26 -4.71 121.76 121.55 2jcc s ALA 42 Ca 0.31 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 2jcc s ALA 42 Cb 0.06 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2jcc s ALA 42 CO 0.10 -0.30 1.04 -2.30 0.00 0.00 0.00 175.76 174.30 2jcc n PRO 43 N 2.26 0.95 -3.68 0.00 -0.02 -1.26 -4.70 135.00 128.55 2jcc n PRO 43 Ca 0.03 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2jcc n PRO 43 Cb 0.45 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 2jcc n PRO 43 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2jcc s LYS 44 N -2.90 0.92 0.02 -0.52 -2.85 -0.59 -4.96 119.74 108.85 2jcc s LYS 44 Ca 0.77 -0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 55.00 2jcc s LYS 44 Cb -0.41 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 2jcc s LYS 44 CO 0.45 -0.32 1.25 -1.17 0.10 0.00 0.00 175.35 175.66 2jcc s LEU 45 N -2.13 4.33 -0.11 2.77 2.96 -1.26 -1.07 118.68 124.17 2jcc s LEU 45 Ca -0.04 1.99 -0.10 0.00 -0.22 0.00 0.00 54.13 55.76 2jcc s LEU 45 Cb -0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2jcc s LEU 45 CO -0.04 -0.56 -0.20 -0.11 -1.32 0.00 0.00 176.35 174.12 2jcc n LEU 46 N 4.58 1.29 -3.80 -0.68 7.94 0.60 -4.90 117.00 122.04 2jcc n LEU 46 Ca 0.10 0.33 -0.09 0.00 -1.11 0.00 0.00 56.01 55.24 2jcc n LEU 46 Cb 0.46 -0.70 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 2jcc n LEU 46 CO 0.56 -0.39 -0.01 -1.48 -1.11 0.00 0.00 177.39 174.96 2jcc s LEU 47 N -7.01 1.09 0.10 -1.96 0.05 -1.10 -5.00 118.68 104.85 2jcc s LEU 47 Ca -0.16 -0.56 0.06 0.00 0.05 0.00 0.00 54.13 53.51 2jcc s LEU 47 Cb 0.02 1.29 -0.04 0.00 -2.05 0.00 0.00 46.19 45.41 2jcc s LEU 47 CO 0.24 -0.78 -0.03 -0.54 -0.55 0.00 0.00 176.35 174.70 2jcc s LYS 48 N -3.85 2.41 0.00 1.48 1.02 -1.26 -1.86 119.74 117.68 2jcc s LYS 48 Ca 0.05 -0.91 0.21 0.00 0.02 0.00 0.00 55.97 55.34 2jcc s LYS 48 Cb 0.04 -2.46 1.08 0.00 -0.52 0.00 0.00 37.83 35.97 2jcc s LYS 48 CO -0.11 0.53 1.65 -1.13 -0.92 0.00 0.00 175.35 175.37 2jcc n SER 49 N 0.57 0.00 -3.08 2.83 3.41 0.30 -4.90 113.62 112.74 2jcc n SER 49 Ca -0.11 -0.12 -0.16 0.00 -0.26 0.00 0.00 58.87 58.22 2jcc n SER 49 Cb 0.52 -0.24 0.14 0.00 -0.26 0.00 0.00 64.21 64.37 2jcc n SER 49 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jcc n PHE 50 N -1.24 -3.21 -1.72 7.33 3.72 -1.26 -4.71 117.46 116.37 2jcc n PHE 50 Ca 0.11 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2jcc n PHE 50 Cb 0.15 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 2jcc n PHE 50 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jcc n THR 51 N -4.09 -0.34 -0.84 4.37 -1.04 -1.26 -4.74 114.28 106.33 2jcc n THR 51 Ca 0.08 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.82 2jcc n THR 51 Cb 0.31 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.38 2jcc n THR 51 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jcc n ASP 52 N 1.94 0.22 -0.23 8.00 8.00 -1.26 -4.51 116.55 128.72 2jcc n ASP 52 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2jcc n ASP 52 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2jcc n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jcc n ASN 53 N 5.73 -0.30 0.00 -2.24 2.85 -1.26 -5.03 115.26 115.00 2jcc n ASN 53 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 2jcc n ASN 53 Cb 0.01 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 40.88 2jcc n ASN 53 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jcc n LYS 54 N -0.15 0.00 -0.63 1.20 5.02 -1.26 -4.99 118.16 117.35 2jcc n LYS 54 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jcc n LYS 54 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 2jcc n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jcc n ARG 55 N 0.00 1.69 0.00 1.97 1.74 -1.26 -2.52 116.66 118.28 2jcc n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jcc n ARG 55 Cb 0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2jcc n ARG 55 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2jcc n PRO 56 N 2.52 2.05 0.00 5.56 -0.04 -1.22 -4.69 135.00 139.18 2jcc n PRO 56 Ca 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2jcc n PRO 56 Cb 0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2jcc n PRO 56 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jcc n GLU 57 N -0.35 0.00 -2.99 0.54 0.28 -1.26 -4.56 120.64 112.30 2jcc n GLU 57 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 2jcc n GLU 57 Cb 0.03 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.88 2jcc n GLU 57 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2jcc n HIS 58 N 0.00 2.32 0.00 -1.84 -0.00 -1.26 -4.80 115.22 109.64 2jcc n HIS 58 Ca 0.00 -3.79 0.00 0.00 0.46 0.00 0.00 57.72 54.39 2jcc n HIS 58 Cb 0.00 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 29.45 2jcc n HIS 58 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2jcc n GLN 59 N -0.05 0.00 0.00 1.57 1.13 -1.26 -5.15 117.38 113.63 2jcc n GLN 59 Ca 0.28 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2jcc n GLN 59 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 2jcc n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jcc n GLY 61 N -0.07 -0.82 3.77 1.08 0.00 -1.26 -4.89 105.19 103.01 2jcc n GLY 61 Ca 0.00 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2jcc n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jcc s PHE 62 N 0.00 3.28 0.09 1.61 0.08 -1.26 -4.60 117.98 117.17 2jcc s PHE 62 Ca 0.00 1.63 -0.02 0.00 0.12 0.00 0.00 56.93 58.66 2jcc s PHE 62 Cb 0.00 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 2jcc s PHE 62 CO 0.00 -0.79 0.04 -3.38 -0.10 0.00 0.00 175.22 170.99 2jcc s HIS 63 N -1.49 0.63 -0.20 0.36 -3.43 -0.04 -4.84 115.29 106.27 2jcc s HIS 63 Ca 0.55 -1.08 -0.17 0.00 -0.80 0.00 0.00 55.06 53.55 2jcc s HIS 63 Cb -0.26 -0.38 0.06 0.00 -1.43 0.00 0.00 32.58 30.56 2jcc s HIS 63 CO 0.33 -0.47 0.54 0.00 -2.00 0.00 0.00 174.74 173.14 2jcc s ALA 64 N -3.97 -1.35 -0.08 -1.38 0.00 -1.26 -0.25 121.76 113.47 2jcc s ALA 64 Ca 0.14 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.72 2jcc s ALA 64 Cb 0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2jcc s ALA 64 CO -0.05 -0.27 -0.12 0.99 0.00 0.00 0.00 175.76 176.32 2jcc s THR 65 N 0.53 3.24 -0.28 0.00 2.01 -1.26 -3.37 115.64 116.52 2jcc s THR 65 Ca -0.02 -0.63 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 2jcc s THR 65 Cb -0.04 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2jcc s THR 65 CO -0.03 0.57 0.73 -0.22 -0.69 0.00 0.00 174.62 174.98 2jcc s LEU 66 N -0.35 4.09 -0.53 4.42 2.96 -1.05 -4.27 118.68 123.94 2jcc s LEU 66 Ca 0.04 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 54.56 2jcc s LEU 66 Cb -0.12 -2.99 0.13 0.00 0.50 0.00 0.00 46.19 43.70 2jcc s LEU 66 CO 0.02 -0.50 0.42 -1.00 -1.32 0.00 0.00 176.35 173.97 2jcc s HIS 67 N 2.75 3.42 0.38 5.38 3.76 -0.64 -4.40 115.29 125.94 2jcc s HIS 67 Ca 0.30 -1.84 0.10 0.00 -0.15 0.00 0.00 55.06 53.48 2jcc s HIS 67 Cb -0.15 -3.57 0.76 0.00 1.11 0.00 0.00 32.58 30.73 2jcc s HIS 67 CO 0.10 -0.99 1.88 0.87 -0.85 0.00 0.00 174.74 175.75 2jcc h LYS 68 N 8.37 0.18 -0.68 1.40 1.57 -1.95 -0.07 116.57 125.39 2jcc h LYS 68 Ca -0.19 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2jcc h LYS 68 Cb 1.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2jcc h LYS 68 CO 0.88 0.39 0.27 0.66 -0.57 0.00 0.00 179.45 181.07 2jcc h SER 69 N 0.16 0.92 -0.26 0.86 4.64 -1.97 -3.01 113.55 114.90 2jcc h SER 69 Ca 0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jcc h SER 69 Cb 0.47 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2jcc h SER 69 CO 0.03 0.83 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 2jcc n SER 70 N -4.30 2.67 -3.63 4.97 3.41 -1.18 -5.01 113.62 110.55 2jcc n SER 70 Ca 0.06 -1.88 -0.24 0.00 -0.26 0.00 0.00 58.87 56.56 2jcc n SER 70 Cb 0.18 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 2jcc n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jcc n SER 71 N 0.51 -3.41 -4.50 4.04 7.64 -0.12 -4.87 113.62 112.90 2jcc n SER 71 Ca 0.10 -0.87 -0.31 0.00 1.01 0.00 0.00 58.87 58.80 2jcc n SER 71 Cb 0.39 -3.99 -0.12 0.00 -1.01 0.00 0.00 64.21 59.48 2jcc n SER 71 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jcc s SER 72 N -3.91 4.08 -0.41 6.43 0.01 -0.69 -2.35 113.70 116.86 2jcc s SER 72 Ca 0.23 -0.34 0.09 0.00 1.31 0.00 0.00 55.95 57.24 2jcc s SER 72 Cb -0.07 -0.76 0.29 0.00 0.21 0.00 0.00 66.02 65.69 2jcc s SER 72 CO 0.82 0.26 0.75 0.33 0.41 0.00 0.00 173.24 175.81 2jcc n PHE 73 N 1.51 -1.11 -2.66 2.43 7.35 0.14 -1.62 117.46 123.50 2jcc n PHE 73 Ca -0.16 -3.10 -0.42 0.00 -0.76 0.00 0.00 57.45 53.01 2jcc n PHE 73 Cb 0.52 0.28 -0.03 0.00 0.35 0.00 0.00 39.48 40.60 2jcc n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2jcc s HIS 74 N -1.03 3.58 0.22 -5.13 3.76 -1.26 -4.08 115.29 111.35 2jcc s HIS 74 Ca 0.34 1.61 -0.30 0.00 -0.15 0.00 0.00 55.06 56.56 2jcc s HIS 74 Cb 0.26 -3.18 -0.09 0.00 1.11 0.00 0.00 32.58 30.68 2jcc s HIS 74 CO -0.11 -0.27 1.14 -1.17 -0.85 0.00 0.00 174.74 173.48 2jcc s LEU 75 N 1.28 4.50 0.05 0.89 2.96 0.24 -4.27 118.68 124.32 2jcc s LEU 75 Ca 0.52 2.22 -0.01 0.00 -0.22 0.00 0.00 54.13 56.64 2jcc s LEU 75 Cb -0.22 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 2jcc s LEU 75 CO 0.26 -0.26 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.92 2jcc s GLN 76 N -0.75 0.56 -0.28 1.98 -0.21 0.65 -1.59 119.66 120.03 2jcc s GLN 76 Ca 0.49 -1.06 -0.23 0.00 0.02 0.00 0.00 55.36 54.57 2jcc s GLN 76 Cb -0.32 0.20 0.10 0.00 1.00 0.00 0.00 33.01 33.99 2jcc s GLN 76 CO 0.38 -0.11 0.86 0.21 -2.12 0.00 0.00 175.29 174.52 2jcc s LYS 77 N -3.36 0.65 0.12 2.91 2.47 -1.06 -0.86 119.74 120.61 2jcc s LYS 77 Ca 0.02 0.84 -0.20 0.00 -1.56 0.00 0.00 55.97 55.06 2jcc s LYS 77 Cb 0.04 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.65 2jcc s LYS 77 CO -0.08 -0.09 1.73 0.77 0.16 0.00 0.00 175.35 177.84 2jcc h SER 78 N 4.97 -0.03 -2.61 1.43 0.02 -1.88 -1.15 113.55 114.30 2jcc h SER 78 Ca -0.29 0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.35 2jcc h SER 78 Cb 1.18 0.05 -0.37 0.00 0.14 0.00 0.00 62.40 63.40 2jcc h SER 78 CO 0.10 0.01 -0.65 -0.55 -1.14 0.00 0.00 176.83 174.59 2jcc s SER 79 N -5.25 1.62 0.38 3.07 0.15 -1.26 -3.08 113.70 109.33 2jcc s SER 79 Ca -0.13 -0.34 -0.27 0.00 0.70 0.00 0.00 55.95 55.90 2jcc s SER 79 Cb 0.09 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.56 2jcc s SER 79 CO 0.68 -0.34 1.33 0.00 1.20 0.00 0.00 173.24 176.12 2jcc s ALA 80 N 2.29 3.39 0.11 5.45 0.00 0.17 -4.71 121.76 128.45 2jcc s ALA 80 Ca 0.06 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.42 2jcc s ALA 80 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2jcc s ALA 80 CO -0.13 -0.81 -0.26 -0.65 0.00 0.00 0.00 175.76 173.92 2jcc s GLN 81 N -2.07 1.41 0.49 0.00 -0.21 -1.26 -0.76 119.66 117.26 2jcc s GLN 81 Ca 0.54 -1.27 0.27 0.00 0.02 0.00 0.00 55.36 54.91 2jcc s GLN 81 Cb -0.40 -1.81 1.34 0.00 1.00 0.00 0.00 33.01 33.15 2jcc s GLN 81 CO 0.53 0.43 1.87 -0.07 -2.12 0.00 0.00 175.29 175.93 2jcc h LEU 82 N 4.08 0.15 -0.06 2.90 3.38 -1.96 0.32 115.31 124.11 2jcc h LEU 82 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2jcc h LEU 82 Cb 1.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jcc h LEU 82 CO 0.40 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.44 2jcc n SER 83 N -4.36 0.15 0.00 -0.43 3.41 -1.26 -2.62 113.62 108.51 2jcc n SER 83 Ca 0.19 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2jcc n SER 83 Cb 0.89 -0.56 0.78 0.00 -0.26 0.00 0.00 64.21 65.06 2jcc n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jcc n ASP 84 N -1.65 0.00 -4.61 4.04 8.00 0.11 -4.77 116.55 117.67 2jcc n ASP 84 Ca 0.05 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 2jcc n ASP 84 Cb 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 2jcc n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jcc s SER 85 N -1.94 6.01 0.13 -2.24 0.01 -1.08 -4.86 113.70 109.73 2jcc s SER 85 Ca 0.40 1.62 -0.25 0.00 1.31 0.00 0.00 55.95 59.02 2jcc s SER 85 Cb 0.18 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.97 2jcc s SER 85 CO 0.30 -1.56 1.07 0.00 0.41 0.00 0.00 173.24 173.46 2jcc s ALA 86 N 6.42 -1.78 -0.15 1.44 0.00 -0.92 -4.69 121.76 122.09 2jcc s ALA 86 Ca 0.82 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 2jcc s ALA 86 Cb -0.27 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2jcc s ALA 86 CO 0.33 -1.06 0.44 -1.17 0.00 0.00 0.00 175.76 174.30 2jcc s LEU 87 N -3.21 4.23 -0.17 0.00 2.96 0.60 -0.74 118.68 122.36 2jcc s LEU 87 Ca 0.18 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 2jcc s LEU 87 Cb -0.01 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.06 2jcc s LEU 87 CO 0.02 -0.02 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.60 2jcc s TYR 88 N 0.85 2.84 -0.17 5.38 1.51 0.49 0.49 117.35 128.74 2jcc s TYR 88 Ca 0.23 -1.03 -0.04 0.00 -1.01 0.00 0.00 57.07 55.22 2jcc s TYR 88 Cb -0.15 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2jcc s TYR 88 CO 0.09 -0.50 -0.02 0.71 -1.11 0.00 0.00 175.55 174.72 2jcc s TYR 89 N 0.99 3.05 0.07 2.71 1.51 0.37 -1.40 117.35 124.65 2jcc s TYR 89 Ca -0.02 -0.29 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 2jcc s TYR 89 Cb -0.15 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 2jcc s TYR 89 CO -0.02 -0.05 0.74 0.00 -1.11 0.00 0.00 175.55 175.11 2jcc s ALA 91 N -0.38 0.85 -0.17 0.00 0.00 0.25 -0.26 121.76 122.04 2jcc s ALA 91 Ca 0.37 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2jcc s ALA 91 Cb -0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2jcc s ALA 91 CO 0.23 0.13 -0.01 -1.17 0.00 0.00 0.00 175.76 174.94 2jcc s LEU 92 N 0.23 3.34 -0.35 0.00 2.96 0.00 -0.28 118.68 124.58 2jcc s LEU 92 Ca -0.04 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 2jcc s LEU 92 Cb -0.09 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2jcc s LEU 92 CO 0.00 0.13 0.19 0.12 -1.32 0.00 0.00 176.35 175.48 2jcc s PHE 93 N 0.58 3.22 -0.39 5.38 5.36 0.26 -0.32 117.98 132.06 2jcc s PHE 93 Ca -0.01 -0.80 -0.13 0.00 -0.96 0.00 0.00 56.93 55.02 2jcc s PHE 93 Cb -0.14 -2.41 0.02 0.00 -0.34 0.00 0.00 43.02 40.15 2jcc s PHE 93 CO 0.02 -0.57 0.26 -0.51 -1.46 0.00 0.00 175.22 172.96 2jcc s LEU 96 N 1.58 4.92 0.00 6.12 1.43 -0.49 -4.45 118.68 127.79 2jcc s LEU 96 Ca 0.03 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2jcc s LEU 96 Cb -0.18 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2jcc s LEU 96 CO 0.07 -0.41 0.27 0.00 0.23 0.00 0.00 176.35 176.50 2jcc n ALA 97 N 5.09 0.83 0.01 4.21 0.00 -1.26 -1.71 120.51 127.69 2jcc n ALA 97 Ca -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 2jcc n ALA 97 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2jcc n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jcc h SER 98 N 0.00 -0.05 0.28 0.00 0.02 -1.96 -3.42 113.55 108.41 2jcc h SER 98 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.68 2jcc h SER 98 Cb 0.92 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 2jcc h SER 98 CO 0.00 0.05 -1.97 -1.54 -1.14 0.00 0.00 176.83 172.23 2jcc n SER 99 N -2.66 0.42 -4.88 3.07 3.41 -1.26 -4.99 113.62 106.73 2jcc n SER 99 Ca -0.01 0.19 -0.22 0.00 -0.26 0.00 0.00 58.87 58.57 2jcc n SER 99 Cb 0.02 0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 2jcc n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jcc s SER 100 N -5.63 5.86 0.07 4.04 1.04 -1.26 -5.06 113.70 112.76 2jcc s SER 100 Ca -0.07 -0.09 -0.32 0.00 0.48 0.00 0.00 55.95 55.95 2jcc s SER 100 Cb 0.08 -1.61 -0.11 0.00 0.10 0.00 0.00 66.02 64.48 2jcc s SER 100 CO 0.83 -0.03 1.83 0.33 0.98 0.00 0.00 173.24 177.18 2jcc n PHE 101 N -1.10 2.50 -1.49 5.02 7.35 -1.26 -4.04 117.46 124.44 2jcc n PHE 101 Ca -0.08 -0.09 -0.62 0.00 -0.76 0.00 0.00 57.45 55.90 2jcc n PHE 101 Cb 0.57 -2.70 -0.10 0.00 0.35 0.00 0.00 39.48 37.59 2jcc n PHE 101 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2jcc n SER 102 N 5.76 1.17 -3.74 -2.13 3.41 -1.25 -4.82 113.62 112.03 2jcc n SER 102 Ca 0.19 0.88 -0.13 0.00 -0.26 0.00 0.00 58.87 59.55 2jcc n SER 102 Cb 0.35 -0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 63.27 2jcc n SER 102 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2jcc s LYS 103 N 4.70 0.62 -0.11 4.33 -2.85 -0.70 -5.00 119.74 120.74 2jcc s LYS 103 Ca 1.12 0.03 -0.16 0.00 -1.00 0.00 0.00 55.97 55.96 2jcc s LYS 103 Cb -1.41 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 34.60 2jcc s LYS 103 CO 0.71 -0.15 0.40 -0.51 0.10 0.00 0.00 175.35 175.89 2jcc s LEU 104 N -0.90 4.31 -0.34 2.77 1.43 -1.26 -1.40 118.68 123.28 2jcc s LEU 104 Ca -0.10 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 53.65 2jcc s LEU 104 Cb -0.04 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2jcc s LEU 104 CO 0.04 0.11 0.17 -0.69 0.23 0.00 0.00 176.35 176.20 2jcc s VAL 105 N 0.19 4.42 0.26 -1.59 1.01 0.57 -4.94 120.40 120.32 2jcc s VAL 105 Ca 0.22 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2jcc s VAL 105 Cb -0.15 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2jcc s VAL 105 CO 0.09 -0.11 0.75 -0.36 0.00 0.00 0.00 175.10 175.47 2jcc s PHE 106 N 1.55 3.59 0.50 5.22 0.08 -1.26 -0.82 117.98 126.83 2jcc s PHE 106 Ca 0.02 1.40 -0.08 0.00 0.12 0.00 0.00 56.93 58.39 2jcc s PHE 106 Cb -0.18 -2.64 0.12 0.00 -0.57 0.00 0.00 43.02 39.75 2jcc s PHE 106 CO 0.06 0.26 0.60 0.41 -0.10 0.00 0.00 175.22 176.45 2jcc n GLY 107 N 0.45 -1.68 0.11 4.36 0.00 0.64 -4.88 105.19 104.20 2jcc n GLY 107 Ca -0.00 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2jcc n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jcc n GLN 108 N -2.55 0.22 0.00 1.61 10.64 -1.26 -4.86 117.38 121.17 2jcc n GLN 108 Ca 0.08 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.54 2jcc n GLN 108 Cb 0.28 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 2jcc n GLN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jcc n GLY 109 N 0.75 -1.60 3.29 2.61 0.00 -1.26 -5.02 105.19 103.95 2jcc n GLY 109 Ca 0.04 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 2jcc n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jcc s THR 110 N -1.91 2.58 -0.22 2.61 2.01 -0.49 -4.58 115.64 115.64 2jcc s THR 110 Ca 0.00 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.96 2jcc s THR 110 Cb 0.00 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2jcc s THR 110 CO 0.00 0.54 0.67 -0.44 -0.69 0.00 0.00 174.62 174.70 2jcc s SER 111 N 0.47 6.70 -0.24 3.53 0.01 -0.73 -0.38 113.70 123.04 2jcc s SER 111 Ca -0.12 0.85 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2jcc s SER 111 Cb -0.17 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2jcc s SER 111 CO 0.05 -0.34 0.10 -0.22 0.41 0.00 0.00 173.24 173.25 2jcc s LEU 112 N 2.19 3.70 -0.24 2.44 2.96 0.09 0.07 118.68 129.88 2jcc s LEU 112 Ca 0.29 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2jcc s LEU 112 Cb -0.16 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2jcc s LEU 112 CO 0.10 0.01 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.48 2jcc s SER 113 N 1.38 4.14 -0.25 3.68 0.15 0.91 -2.16 113.70 121.55 2jcc s SER 113 Ca 0.06 -1.04 -0.08 0.00 0.70 0.00 0.00 55.95 55.59 2jcc s SER 113 Cb -0.15 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2jcc s SER 113 CO 0.05 -0.13 0.09 0.54 1.20 0.00 0.00 173.24 174.99 2jcc s VAL 114 N 1.23 4.51 0.00 4.45 0.11 -1.26 -0.57 120.40 128.88 2jcc s VAL 114 Ca -0.02 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2jcc s VAL 114 Cb -0.17 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.54 2jcc s VAL 114 CO -0.06 0.34 -0.08 0.68 -3.33 0.00 0.00 175.10 172.65 2jcc s VAL 115 N 1.48 3.57 0.48 2.04 -7.23 0.36 -4.73 120.40 116.36 2jcc s VAL 115 Ca 0.06 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 2jcc s VAL 115 Cb -0.15 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 2jcc s VAL 115 CO 0.05 0.41 1.38 -2.16 -0.31 0.00 0.00 175.10 174.46 2jcc s PRO 116 N -1.37 3.55 -1.12 4.82 0.04 -1.26 -1.72 135.00 137.93 2jcc s PRO 116 Ca 0.16 2.30 -0.21 0.00 0.04 0.00 0.00 61.00 63.30 2jcc s PRO 116 Cb -0.11 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.96 2jcc s PRO 116 CO 0.07 -0.89 1.55 1.21 0.04 0.00 0.00 177.00 178.98 2jcc s ASN 117 N -0.71 6.64 -0.30 6.66 2.47 -1.26 -4.51 114.94 123.92 2jcc s ASN 117 Ca 0.64 -1.85 -0.28 0.00 0.42 0.00 0.00 52.86 51.78 2jcc s ASN 117 Cb -0.41 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 36.79 2jcc s ASN 117 CO 0.52 -1.36 1.89 -0.63 -3.72 0.00 0.00 177.10 173.79 2jcc s ILE 118 N 4.61 3.37 -0.05 -5.21 -1.09 -1.26 -4.89 121.20 116.68 2jcc s ILE 118 Ca 0.49 0.38 -0.26 0.00 -2.23 0.00 0.00 60.65 59.03 2jcc s ILE 118 Cb 0.01 -3.50 -0.22 0.00 -1.58 0.00 0.00 42.46 37.17 2jcc s ILE 118 CO -0.03 -0.32 1.09 1.56 -1.23 0.00 0.00 174.94 176.01 2jcc h GLN 119 N 13.34 0.09 -3.19 2.79 4.20 -1.96 -3.41 115.11 126.97 2jcc h GLN 119 Ca -0.35 -0.07 -0.63 0.00 0.06 0.00 0.00 58.65 57.66 2jcc h GLN 119 Cb 1.18 0.02 -0.41 0.00 0.30 0.00 0.00 27.48 28.57 2jcc h GLN 119 CO 1.01 0.76 -0.63 -0.80 -0.67 0.00 0.00 178.83 178.50 2jcc s ASN 120 N -6.04 4.35 0.16 1.46 0.01 -1.26 -5.10 114.94 108.52 2jcc s ASN 120 Ca -0.16 -3.31 -0.31 0.00 -0.71 0.00 0.00 52.86 48.36 2jcc s ASN 120 Cb 0.01 -1.54 -0.08 0.00 0.41 0.00 0.00 41.25 40.05 2jcc s ASN 120 CO 0.71 -0.17 1.36 -2.84 -1.51 0.00 0.00 177.10 174.65 2jcc s PRO 121 N -0.68 4.34 -0.59 -0.60 0.02 -1.26 -4.97 135.00 131.26 2jcc s PRO 121 Ca 0.21 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.38 2jcc s PRO 121 Cb -0.16 -3.21 0.23 0.00 0.02 0.00 0.00 34.50 31.37 2jcc s PRO 121 CO -0.07 -0.37 0.62 0.39 -0.33 0.00 0.00 177.00 177.24 2jcc n GLU 122 N 3.30 1.85 -2.05 5.54 1.02 -0.83 -5.01 120.64 124.46 2jcc n GLU 122 Ca 0.09 -4.24 -0.42 0.00 -0.02 0.00 0.00 57.16 52.57 2jcc n GLU 122 Cb 0.42 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 2jcc n GLU 122 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jcc s PRO 123 N -1.82 4.21 -0.00 3.49 0.04 -1.23 -4.61 135.00 135.08 2jcc s PRO 123 Ca 0.35 2.15 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 2jcc s PRO 123 Cb 0.11 -3.79 -0.00 0.00 0.04 0.00 0.00 34.50 30.85 2jcc s PRO 123 CO -0.08 -0.75 0.08 0.00 0.04 0.00 0.00 177.00 176.29 2jcc s ALA 124 N 3.30 -0.18 -0.14 8.56 0.00 -1.07 -4.99 121.76 127.24 2jcc s ALA 124 Ca 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2jcc s ALA 124 Cb -0.34 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2jcc s ALA 124 CO 0.29 -0.16 -0.12 0.08 0.00 0.00 0.00 175.76 175.84 2jcc s VAL 125 N -1.13 3.07 0.05 0.00 1.01 -1.26 -1.67 120.40 120.46 2jcc s VAL 125 Ca -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2jcc s VAL 125 Cb -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2jcc s VAL 125 CO 0.01 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.08 2jcc s TYR 126 N 0.50 2.04 0.20 5.22 1.51 0.01 -4.96 117.35 121.87 2jcc s TYR 126 Ca -0.09 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.45 2jcc s TYR 126 Cb -0.16 -1.21 -0.07 0.00 -0.11 0.00 0.00 41.96 40.41 2jcc s TYR 126 CO 0.04 0.11 0.59 1.14 -1.11 0.00 0.00 175.55 176.32 2jcc s GLN 127 N -1.22 3.95 0.18 -0.62 -2.07 -1.26 -0.71 119.66 117.91 2jcc s GLN 127 Ca 0.09 0.48 0.02 0.00 -1.82 0.00 0.00 55.36 54.13 2jcc s GLN 127 Cb -0.09 -2.78 -0.05 0.00 -1.09 0.00 0.00 33.01 29.00 2jcc s GLN 127 CO 0.02 0.38 0.01 -0.51 -1.32 0.00 0.00 175.29 173.88 2jcc s LEU 128 N -2.34 2.04 0.01 2.60 1.43 -0.07 -4.95 118.68 117.39 2jcc s LEU 128 Ca 0.43 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2jcc s LEU 128 Cb -0.13 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 2jcc s LEU 128 CO 0.20 -0.59 -0.02 -0.54 0.23 0.00 0.00 176.35 175.62 2jcc s LYS 129 N -3.93 0.18 -0.38 1.70 -0.14 -1.26 -2.18 119.74 113.71 2jcc s LYS 129 Ca 0.25 -0.19 -0.12 0.00 -1.36 0.00 0.00 55.97 54.55 2jcc s LYS 129 Cb 0.06 -0.09 0.02 0.00 -1.68 0.00 0.00 37.83 36.15 2jcc s LYS 129 CO 0.05 0.02 0.23 0.34 -0.76 0.00 0.00 175.35 175.23 2jcc s ASP 132 N -0.37 5.83 0.30 2.83 2.15 -0.96 -4.99 116.67 121.45 2jcc s ASP 132 Ca -0.03 -0.96 0.08 0.00 0.43 0.00 0.00 52.55 52.07 2jcc s ASP 132 Cb -0.03 -2.06 0.46 0.00 -0.30 0.00 0.00 42.92 40.99 2jcc s ASP 132 CO -0.00 -0.40 1.69 1.55 -0.17 0.00 0.00 175.17 177.84 2jcc h PRO 133 N 8.48 0.17 0.00 4.34 0.13 -1.99 -2.38 132.00 140.76 2jcc h PRO 133 Ca -0.26 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jcc h PRO 133 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jcc h PRO 133 CO 0.68 0.60 0.00 0.54 -0.23 0.00 0.00 178.00 179.59 2jcc n ARG 134 N -3.99 0.74 -4.44 0.86 5.12 -1.26 -4.75 116.66 108.95 2jcc n ARG 134 Ca -0.02 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.67 2jcc n ARG 134 Cb 0.50 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.21 2jcc n ARG 134 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jcc s SER 135 N -1.98 3.37 -0.15 0.55 0.15 -0.90 -5.09 113.70 109.65 2jcc s SER 135 Ca 0.35 -1.00 -0.27 0.00 0.70 0.00 0.00 55.95 55.73 2jcc s SER 135 Cb 0.16 -0.26 -0.25 0.00 -1.71 0.00 0.00 66.02 63.96 2jcc s SER 135 CO 0.27 0.02 0.67 1.56 1.20 0.00 0.00 173.24 176.96 2jcc h GLN 136 N 2.50 0.01 0.00 5.44 1.08 -1.85 -3.41 115.11 118.87 2jcc h GLN 136 Ca -0.41 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2jcc h GLN 136 Cb 1.24 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2jcc h GLN 136 CO 0.58 1.01 0.00 -0.25 -0.95 0.00 0.00 178.83 179.22 2jcc n ASP 137 N -4.56 0.59 -4.58 1.46 8.00 -1.26 -5.06 116.55 111.14 2jcc n ASP 137 Ca -0.14 -1.08 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 2jcc n ASP 137 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2jcc n ASP 137 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jcc s SER 138 N -0.08 5.35 0.47 -2.24 0.15 -1.26 -4.98 113.70 111.11 2jcc s SER 138 Ca 0.00 1.21 0.05 0.00 0.70 0.00 0.00 55.95 57.91 2jcc s SER 138 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2jcc s SER 138 CO 0.00 -2.15 0.08 0.42 1.20 0.00 0.00 173.24 172.79 2jcc s THR 139 N 8.81 1.68 0.01 6.45 -4.23 -1.26 -2.27 115.64 124.82 2jcc s THR 139 Ca 0.86 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.26 2jcc s THR 139 Cb -0.22 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.10 2jcc s THR 139 CO 0.30 0.00 0.49 -0.22 -0.54 0.00 0.00 174.62 174.65 2jcc s LEU 140 N -3.87 0.08 -0.11 4.79 0.20 -0.93 -4.59 118.68 114.25 2jcc s LEU 140 Ca 0.24 0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.33 2jcc s LEU 140 Cb 0.04 1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 47.74 2jcc s LEU 140 CO 0.13 -0.62 -0.13 0.00 -0.29 0.00 0.00 176.35 175.44 2jcc s LEU 142 N 0.06 2.70 -0.24 0.00 2.96 0.11 -0.20 118.68 124.07 2jcc s LEU 142 Ca -0.05 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2jcc s LEU 142 Cb -0.15 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2jcc s LEU 142 CO 0.04 0.22 -0.07 0.12 -1.32 0.00 0.00 176.35 175.34 2jcc s PHE 143 N 0.02 3.04 0.28 5.38 5.36 -0.03 -0.81 117.98 131.21 2jcc s PHE 143 Ca -0.04 -1.51 0.02 0.00 -0.96 0.00 0.00 56.93 54.43 2jcc s PHE 143 Cb -0.14 -2.05 -0.05 0.00 -0.34 0.00 0.00 43.02 40.43 2jcc s PHE 143 CO 0.04 -0.72 0.09 -0.08 -1.46 0.00 0.00 175.22 173.09 2jcc s THR 144 N 1.33 0.74 -1.75 0.12 -1.32 -0.67 -0.58 115.64 113.50 2jcc s THR 144 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 2jcc s THR 144 Cb -0.16 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 2jcc s THR 144 CO -0.05 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.83 2jcc n ASP 145 N -0.54 -4.66 -4.88 8.08 8.00 -0.50 -2.58 116.55 119.46 2jcc n ASP 145 Ca -0.01 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 2jcc n ASP 145 Cb 0.66 -4.13 0.02 0.00 -0.02 0.00 0.00 41.12 37.65 2jcc n ASP 145 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2jcc s PHE 146 N -2.55 3.50 0.65 1.24 -0.71 -1.26 -1.97 117.98 116.88 2jcc s PHE 146 Ca 0.00 1.16 -0.13 0.00 -1.04 0.00 0.00 56.93 56.92 2jcc s PHE 146 Cb 0.00 -2.83 -0.01 0.00 -1.21 0.00 0.00 43.02 38.96 2jcc s PHE 146 CO 0.00 -0.86 1.06 0.16 -1.34 0.00 0.00 175.22 174.24 2jcc s ASP 147 N -4.25 5.58 0.51 1.98 -4.77 -1.26 -4.44 116.67 110.03 2jcc s ASP 147 Ca 0.56 1.70 0.33 0.00 -3.30 0.00 0.00 52.55 51.84 2jcc s ASP 147 Cb -0.11 -2.51 1.48 0.00 -1.09 0.00 0.00 42.92 40.69 2jcc s ASP 147 CO 0.52 -1.30 1.99 0.28 0.70 0.00 0.00 175.17 177.36 2jcc h SER 148 N -0.18 0.00 1.81 2.11 0.02 -1.90 -3.13 113.55 112.28 2jcc h SER 148 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2jcc h SER 148 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2jcc h SER 148 CO 0.57 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.82 2jcc h GLN 149 N 0.00 0.00 -6.76 3.45 1.08 -1.92 -3.47 115.11 107.49 2jcc h GLN 149 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 2jcc h GLN 149 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2jcc h GLN 149 CO 0.00 0.00 0.15 0.96 -0.95 0.00 0.00 178.83 178.99 2jcc s ILE 150 N -3.26 4.59 -0.20 2.54 -5.25 -1.19 -5.04 121.20 113.39 2jcc s ILE 150 Ca 0.07 1.15 -0.21 0.00 -0.99 0.00 0.00 60.65 60.67 2jcc s ILE 150 Cb 0.06 -3.68 -0.03 0.00 2.95 0.00 0.00 42.46 41.77 2jcc s ILE 150 CO 0.64 -0.11 0.62 0.21 -1.79 0.00 0.00 174.94 174.51 2jcc s ASN 151 N -2.10 6.67 -0.14 4.36 3.84 -1.26 -5.05 114.94 121.26 2jcc s ASN 151 Ca 0.53 0.82 -0.21 0.00 0.21 0.00 0.00 52.86 54.21 2jcc s ASN 151 Cb -0.12 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 2jcc s ASN 151 CO 0.18 -0.26 0.61 -0.69 -2.79 0.00 0.00 177.10 174.15 2jcc s VAL 152 N 1.88 5.07 0.96 -5.21 1.01 -1.26 -4.12 120.40 118.73 2jcc s VAL 152 Ca 0.28 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 2jcc s VAL 152 Cb -0.16 -3.94 0.17 0.00 0.00 0.00 0.00 36.38 32.46 2jcc s VAL 152 CO 0.10 0.20 1.10 -2.84 0.00 0.00 0.00 175.10 173.66 2jcc s PRO 153 N 1.31 0.66 0.11 2.72 0.02 -1.26 -5.00 135.00 133.56 2jcc s PRO 153 Ca 0.30 1.16 0.04 0.00 0.02 0.00 0.00 61.00 62.52 2jcc s PRO 153 Cb -0.16 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 2jcc s PRO 153 CO 0.12 -2.75 0.11 0.15 -0.33 0.00 0.00 177.00 174.30 2jcc s LYS 154 N -4.69 2.92 0.21 5.54 -0.14 -1.26 -4.88 119.74 117.44 2jcc s LYS 154 Ca 0.66 -0.74 -0.31 0.00 -1.36 0.00 0.00 55.97 54.22 2jcc s LYS 154 Cb -0.22 -2.72 -0.11 0.00 -1.68 0.00 0.00 37.83 33.10 2jcc s LYS 154 CO 0.59 0.54 1.64 -0.08 -0.76 0.00 0.00 175.35 177.29 2jcc s THR 155 N -1.51 2.24 -2.81 2.17 -1.32 -1.26 -4.90 115.64 108.26 2jcc s THR 155 Ca 0.30 0.18 0.25 0.00 -1.21 0.00 0.00 61.69 61.21 2jcc s THR 155 Cb -0.12 -3.12 0.30 0.00 -1.51 0.00 0.00 72.50 68.06 2jcc s THR 155 CO 0.23 0.02 1.38 0.23 -2.21 0.00 0.00 174.62 174.27 2jcc n MET 156 N 3.60 2.21 -4.07 7.08 2.81 -1.26 -5.02 117.12 122.47 2jcc n MET 156 Ca 0.14 -1.77 -0.08 0.00 -1.81 0.00 0.00 57.70 54.18 2jcc n MET 156 Cb 0.37 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.31 2jcc n MET 156 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2jcc s GLU 157 N -1.92 0.70 0.46 0.03 -1.05 -1.26 -5.16 118.70 110.50 2jcc s GLU 157 Ca 0.32 -1.22 -0.21 0.00 -0.15 0.00 0.00 54.97 53.70 2jcc s GLU 157 Cb 0.20 0.23 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 2jcc s GLU 157 CO 0.31 -0.16 1.03 -1.54 0.95 0.00 0.00 175.26 175.85 2jcc s SER 158 N -2.93 6.49 0.00 0.83 1.04 -1.26 -3.85 113.70 114.02 2jcc s SER 158 Ca 0.10 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2jcc s SER 158 Cb 0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2jcc s SER 158 CO -0.08 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2jcc n GLY 159 N -0.20 2.58 3.84 7.32 0.00 -1.26 -4.93 105.19 112.54 2jcc n GLY 159 Ca 0.08 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2jcc n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jcc s THR 160 N -1.22 5.15 -0.01 2.61 2.01 -1.25 -2.82 115.64 120.11 2jcc s THR 160 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 2jcc s THR 160 Cb 0.00 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2jcc s THR 160 CO 0.00 0.45 0.01 -0.36 -0.69 0.00 0.00 174.62 174.03 2jcc s PHE 161 N -1.15 0.10 -0.06 4.92 0.40 -0.36 -4.80 117.98 117.02 2jcc s PHE 161 Ca 0.21 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.64 2jcc s PHE 161 Cb -0.12 -0.19 -0.01 0.00 0.51 0.00 0.00 43.02 43.21 2jcc s PHE 161 CO 0.11 -0.06 -0.25 0.42 0.70 0.00 0.00 175.22 176.15 2jcc s ILE 162 N 0.61 2.02 0.71 0.64 1.01 -1.26 -1.80 121.20 123.13 2jcc s ILE 162 Ca -0.05 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 2jcc s ILE 162 Cb -0.08 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.71 2jcc s ILE 162 CO -0.02 0.56 1.06 0.42 0.00 0.00 0.00 174.94 176.97 2jcc s THR 163 N -0.12 2.98 0.38 2.92 -4.23 -0.52 -4.73 115.64 112.32 2jcc s THR 163 Ca -0.05 0.15 -0.21 0.00 -1.18 0.00 0.00 61.69 60.41 2jcc s THR 163 Cb -0.14 -3.29 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 2jcc s THR 163 CO 0.04 -0.35 0.90 -1.81 -0.54 0.00 0.00 174.62 172.86 2jcc s ASP 164 N -4.43 6.98 0.48 3.99 1.01 -1.26 -4.69 116.67 118.75 2jcc s ASP 164 Ca 0.58 1.62 -0.23 0.00 0.71 0.00 0.00 52.55 55.24 2jcc s ASP 164 Cb -0.11 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 2jcc s ASP 164 CO 0.49 -0.26 1.21 2.29 0.21 0.00 0.00 175.17 179.10 2jcc n LYS 165 N -0.31 1.64 -4.30 8.23 2.85 -1.26 -4.83 118.16 120.19 2jcc n LYS 165 Ca 0.05 0.59 -0.17 0.00 -1.05 0.00 0.00 58.31 57.73 2jcc n LYS 165 Cb 0.53 -2.35 -0.10 0.00 -0.65 0.00 0.00 35.03 32.46 2jcc n LYS 165 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2jcc s THR 166 N -1.28 1.50 -0.17 0.58 -4.23 -0.55 -4.94 115.64 106.56 2jcc s THR 166 Ca 0.66 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 2jcc s THR 166 Cb -0.48 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2jcc s THR 166 CO 0.54 -0.61 0.11 -0.69 -0.54 0.00 0.00 174.62 173.43 2jcc s VAL 167 N -2.95 5.20 -0.08 2.29 1.01 -1.26 -1.57 120.40 123.04 2jcc s VAL 167 Ca 0.19 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2jcc s VAL 167 Cb -0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2jcc s VAL 167 CO 0.04 0.51 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 2jcc s LEU 168 N -0.11 2.61 -0.33 3.92 1.98 0.20 -4.95 118.68 122.01 2jcc s LEU 168 Ca 0.09 -0.30 0.01 0.00 -2.89 0.00 0.00 54.13 51.04 2jcc s LEU 168 Cb -0.12 -1.55 0.10 0.00 0.66 0.00 0.00 46.19 45.29 2jcc s LEU 168 CO 0.00 0.25 0.09 -0.62 -1.89 0.00 0.00 176.35 174.19 2jcc s ASP 169 N -0.18 4.27 -0.73 3.68 2.15 -1.26 0.23 116.67 124.83 2jcc s ASP 169 Ca -0.01 -1.87 -0.26 0.00 0.43 0.00 0.00 52.55 50.84 2jcc s ASP 169 Cb -0.13 -1.14 0.04 0.00 -0.30 0.00 0.00 42.92 41.39 2jcc s ASP 169 CO 0.03 -0.40 1.23 -0.04 -0.17 0.00 0.00 175.17 175.83 2jcc s MET 170 N 1.31 3.18 0.36 4.34 -1.94 -0.14 -4.88 119.30 121.53 2jcc s MET 170 Ca 0.11 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2jcc s MET 170 Cb -0.18 -4.18 0.72 0.00 2.01 0.00 0.00 34.83 33.19 2jcc s MET 170 CO -0.18 -2.10 1.98 0.87 -0.01 0.00 0.00 175.02 175.58 2jcc h LYS 171 N 9.96 0.75 0.00 2.03 1.79 -1.97 -2.33 116.57 126.80 2jcc h LYS 171 Ca -0.28 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2jcc h LYS 171 Cb 1.05 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2jcc h LYS 171 CO 1.26 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 180.13 2jcc n ALA 172 N -2.45 1.35 -2.18 3.86 0.00 -1.26 -3.70 120.51 116.14 2jcc n ALA 172 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.51 2jcc n ALA 172 Cb 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2jcc n ALA 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jcc n MET 173 N -1.50 0.00 -2.89 0.00 2.81 -0.88 -5.01 117.12 109.64 2jcc n MET 173 Ca 0.02 -1.26 -0.16 0.00 -1.81 0.00 0.00 57.70 54.49 2jcc n MET 173 Cb 0.09 -0.20 -0.01 0.00 -0.71 0.00 0.00 33.22 32.39 2jcc n MET 173 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2jcc n ASP 174 N 0.18 -3.29 -4.31 7.83 8.00 -1.17 -4.89 116.55 118.90 2jcc n ASP 174 Ca 0.00 -0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.07 2jcc n ASP 174 Cb 0.84 -2.79 -0.12 0.00 -0.02 0.00 0.00 41.12 39.03 2jcc n ASP 174 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jcc s SER 175 N -2.35 5.48 -0.16 -2.24 0.15 -1.17 -5.03 113.70 108.38 2jcc s SER 175 Ca 0.19 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 55.65 2jcc s SER 175 Cb -0.10 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 2jcc s SER 175 CO 0.23 -0.36 0.08 -0.54 1.20 0.00 0.00 173.24 173.85 2jcc s LYS 176 N 1.45 3.76 0.02 5.44 1.02 -1.26 -0.97 119.74 129.21 2jcc s LYS 176 Ca -0.00 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 55.76 2jcc s LYS 176 Cb -0.20 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2jcc s LYS 176 CO 0.04 0.44 -0.20 -1.12 -0.92 0.00 0.00 175.35 173.59 2jcc s SER 177 N -0.09 2.39 -0.02 2.83 0.01 0.14 -4.95 113.70 114.00 2jcc s SER 177 Ca 0.08 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2jcc s SER 177 Cb -0.12 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2jcc s SER 177 CO 0.01 0.19 0.12 0.20 0.41 0.00 0.00 173.24 174.17 2jcc s ASN 178 N -0.91 5.98 0.04 2.44 0.01 -1.26 0.63 114.94 121.86 2jcc s ASN 178 Ca 0.07 0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 52.34 2jcc s ASN 178 Cb -0.08 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.80 2jcc s ASN 178 CO 0.01 0.28 0.27 -0.83 -1.51 0.00 0.00 177.10 175.32 2jcc s GLY 179 N -1.74 -0.07 -0.01 0.66 0.00 -0.61 -1.40 107.32 104.15 2jcc s GLY 179 Ca 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 2jcc s GLY 179 CO 0.15 -0.28 0.13 0.00 0.00 0.00 0.00 173.10 173.10 2jcc s ALA 180 N -2.50 -0.30 -0.10 3.20 0.00 0.25 -1.48 121.76 120.83 2jcc s ALA 180 Ca -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2jcc s ALA 180 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2jcc s ALA 180 CO -0.03 -0.17 -0.21 0.42 0.00 0.00 0.00 175.76 175.76 2jcc s ILE 181 N -1.05 1.89 0.00 0.00 1.09 -1.26 -0.85 121.20 121.02 2jcc s ILE 181 Ca -0.11 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 58.59 2jcc s ILE 181 Cb -0.06 -1.65 -0.02 0.00 -1.06 0.00 0.00 42.46 39.67 2jcc s ILE 181 CO 0.01 0.52 -0.21 0.00 -0.10 0.00 0.00 174.94 175.16 2jcc s ALA 182 N 0.51 1.75 0.31 9.38 0.00 0.72 -1.45 121.76 132.98 2jcc s ALA 182 Ca -0.16 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2jcc s ALA 182 Cb -0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2jcc s ALA 182 CO 0.06 0.42 0.33 1.67 0.00 0.00 0.00 175.76 178.24 2jcc s TRP 183 N -0.59 1.37 0.13 0.00 -2.14 -0.74 0.78 118.94 117.74 2jcc s TRP 183 Ca 0.08 -1.45 -0.25 0.00 2.66 0.00 0.00 56.10 57.13 2jcc s TRP 183 Cb -0.08 -0.44 0.08 0.00 -3.10 0.00 0.00 33.47 29.93 2jcc s TRP 183 CO 0.00 -0.93 1.05 0.45 -2.66 0.00 0.00 176.95 174.86 2jcc s SER 184 N -3.28 -0.11 0.00 -2.66 0.15 -1.26 -1.23 113.70 105.32 2jcc s SER 184 Ca 0.36 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2jcc s SER 184 Cb 0.02 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2jcc s SER 184 CO 0.22 -0.80 0.84 0.59 1.20 0.00 0.00 173.24 175.29 2jcc n ASN 185 N -0.67 1.62 -4.55 5.45 3.02 -1.13 -4.92 115.26 114.08 2jcc n ASN 185 Ca -0.06 -1.70 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 2jcc n ASN 185 Cb 0.61 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 2jcc n ASN 185 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2jcc s GLN 186 N -0.70 3.44 0.73 3.52 0.74 -1.26 -5.01 119.66 121.13 2jcc s GLN 186 Ca 0.00 -0.03 -0.17 0.00 0.05 0.00 0.00 55.36 55.21 2jcc s GLN 186 Cb 0.00 -3.96 -0.14 0.00 1.10 0.00 0.00 33.01 30.01 2jcc s GLN 186 CO 0.00 -1.25 -0.36 2.41 -0.55 0.00 0.00 175.29 175.54 2jcc n THR 187 N 6.28 0.12 0.00 -0.34 -1.04 -1.26 -3.37 114.28 114.67 2jcc n THR 187 Ca 0.04 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2jcc n THR 187 Cb 0.48 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2jcc n THR 187 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jcc n SER 188 N 2.69 0.00 0.00 8.00 7.64 -1.26 -4.94 113.62 125.75 2jcc n SER 188 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2jcc n SER 188 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2jcc n SER 188 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jcc n PHE 189 N 0.00 -0.04 -2.33 1.43 3.72 -1.22 -5.04 117.46 113.99 2jcc n PHE 189 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jcc n PHE 189 Cb 0.00 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2jcc n PHE 189 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jcc n THR 190 N 0.00 0.00 0.00 4.37 -1.04 -1.26 -5.10 114.28 111.25 2jcc n THR 190 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jcc n THR 190 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2jcc n THR 190 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jcc h GLN 192 N 0.00 -0.73 -0.09 0.00 1.08 -1.99 -3.09 115.11 110.30 2jcc h GLN 192 Ca 0.00 0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2jcc h GLN 192 Cb 0.00 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2jcc h GLN 192 CO 0.00 -0.48 0.07 -0.44 -0.95 0.00 0.00 178.83 177.02 2jcc h ASP 193 N -0.75 0.00 -0.40 1.46 3.32 -1.99 -3.26 116.42 114.80 2jcc h ASP 193 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2jcc h ASP 193 Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2jcc h ASP 193 CO -0.20 0.00 -0.22 -0.29 -1.72 0.00 0.00 179.24 176.81 2jcc h ILE 194 N 0.00 1.27 -0.59 0.35 6.09 -1.89 -3.07 117.51 119.67 2jcc h ILE 194 Ca 0.04 -1.36 -0.28 0.00 -1.37 0.00 0.00 64.86 61.89 2jcc h ILE 194 Cb 0.17 1.16 -0.16 0.00 0.47 0.00 0.00 36.82 38.46 2jcc h ILE 194 CO -0.00 0.46 0.35 0.49 -3.07 0.00 0.00 178.15 176.39 2jcc n PHE 195 N -4.11 1.86 -3.46 2.19 3.01 -1.23 -4.89 117.46 110.83 2jcc n PHE 195 Ca 0.00 -1.21 -0.29 0.00 1.01 0.00 0.00 57.45 56.96 2jcc n PHE 195 Cb 0.45 -0.64 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 2jcc n PHE 195 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2jcc s LYS 196 N -2.11 3.63 0.00 -1.08 -2.85 -1.16 -4.78 119.74 111.39 2jcc s LYS 196 Ca 0.36 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2jcc s LYS 196 Cb 0.30 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 2jcc s LYS 196 CO 0.08 0.30 0.00 -0.85 0.10 0.00 0.00 175.35 174.97 2jcc n GLU 197 N -0.64 0.00 0.00 1.78 0.28 -1.26 -4.74 120.64 116.06 2jcc n GLU 197 Ca -0.02 0.31 0.14 0.00 -0.16 0.00 0.00 57.16 57.42 2jcc n GLU 197 Cb 0.53 -0.62 0.43 0.00 1.43 0.00 0.00 31.44 33.22 2jcc n GLU 197 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60