#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 -0.92 -4.87 6.12 8.00 -0.63 -5.00 116.55 119.26 2jcc n ASP 1 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 2jcc n ASP 1 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2jcc n ASP 1 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jcc s SER 2 N -2.62 4.81 -0.04 -2.24 0.01 -0.67 -4.92 113.70 108.03 2jcc s SER 2 Ca 0.00 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.30 2jcc s SER 2 Cb 0.00 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2jcc s SER 2 CO 0.00 -0.83 -0.08 -0.69 0.41 0.00 0.00 173.24 172.04 2jcc s VAL 3 N -2.61 0.80 -0.21 3.43 1.01 -1.26 -1.65 120.40 119.92 2jcc s VAL 3 Ca 0.43 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2jcc s VAL 3 Cb -0.02 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.64 2jcc s VAL 3 CO 0.25 0.27 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 2jcc s THR 4 N 0.57 1.97 0.37 3.92 2.01 0.15 -4.75 115.64 119.88 2jcc s THR 4 Ca -0.10 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 60.84 2jcc s THR 4 Cb -0.13 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 2jcc s THR 4 CO 0.01 0.29 0.43 -1.10 -0.69 0.00 0.00 174.62 173.56 2jcc s GLN 5 N 1.27 2.83 0.06 4.92 -0.21 -1.26 -1.58 119.66 125.69 2jcc s GLN 5 Ca -0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 55.36 53.82 2jcc s GLN 5 Cb -0.16 -2.63 -0.10 0.00 1.00 0.00 0.00 33.01 31.12 2jcc s GLN 5 CO -0.09 -0.06 1.89 2.41 -2.12 0.00 0.00 175.29 177.32 2jcc n THR 6 N -1.60 0.55 -2.62 -0.19 -1.04 -0.89 -4.92 114.28 103.58 2jcc n THR 6 Ca 0.02 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 2jcc n THR 6 Cb 0.59 -2.15 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 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 3.57 4.32 0.00 -2.82 2.12 -1.26 -4.58 118.70 120.06 2jcc s GLU 7 Ca 0.86 1.45 0.00 0.00 0.36 0.00 0.00 54.97 57.64 2jcc s GLU 7 Cb -0.50 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2jcc s GLU 7 CO 0.41 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2jcc n GLY 8 N 3.28 0.69 3.53 -1.50 0.00 -1.26 -4.94 105.19 105.00 2jcc n GLY 8 Ca 0.11 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 3.41 -0.19 0.99 2.96 -1.26 -2.63 118.68 121.96 2jcc s LEU 9 Ca 0.00 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2jcc s LEU 9 Cb 0.00 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2jcc s LEU 9 CO 0.00 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.49 2jcc s VAL 10 N 0.41 3.96 -0.20 1.68 1.01 0.18 -5.00 120.40 122.43 2jcc s VAL 10 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2jcc s VAL 10 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2jcc s VAL 10 CO 0.02 0.45 -0.06 -0.89 0.00 0.00 0.00 175.10 174.62 2jcc s THR 11 N 0.79 3.36 -0.03 3.92 2.01 -1.26 -0.18 115.64 124.25 2jcc s THR 11 Ca -0.00 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2jcc s THR 11 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.88 2jcc s THR 11 CO 0.02 0.45 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.13 2jcc s LEU 12 N 1.22 1.58 0.10 4.42 2.96 -0.53 -5.00 118.68 123.42 2jcc s LEU 12 Ca 0.03 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.52 2jcc s LEU 12 Cb -0.14 -0.39 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 2jcc s LEU 12 CO -0.02 -0.01 1.01 -0.89 -1.32 0.00 0.00 176.35 175.12 2jcc s THR 13 N 0.51 4.44 0.24 3.68 2.01 -1.26 -0.83 115.64 124.44 2jcc s THR 13 Ca -0.06 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 2jcc s THR 13 Cb -0.10 -4.25 -0.15 0.00 0.01 0.00 0.00 72.50 68.02 2jcc s THR 13 CO -0.00 0.26 0.98 -1.84 -0.69 0.00 0.00 174.62 173.34 2jcc n GLU 14 N 3.03 1.11 0.00 4.92 0.28 0.06 -2.23 120.64 127.80 2jcc n GLU 14 Ca 0.04 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2jcc n GLU 14 Cb 0.49 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.61 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 1.54 0.97 3.94 -1.84 0.00 0.97 -4.79 105.19 105.99 2jcc n GLY 15 Ca 0.12 0.00 -0.24 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 4.02 0.04 0.99 1.43 -0.95 -4.47 118.68 119.75 2jcc s LEU 16 Ca 0.00 0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 53.27 2jcc s LEU 16 Cb 0.00 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 2jcc s LEU 16 CO 0.00 -0.28 1.30 -2.84 0.23 0.00 0.00 176.35 174.76 2jcc s PRO 17 N -4.21 4.35 0.36 1.29 0.02 -1.20 -0.79 135.00 134.82 2jcc s PRO 17 Ca 0.40 1.89 -0.25 0.00 0.02 0.00 0.00 61.00 63.06 2jcc s PRO 17 Cb -0.10 -3.41 -0.09 0.00 0.02 0.00 0.00 34.50 30.92 2jcc s PRO 17 CO 0.35 -0.41 1.01 0.08 -0.33 0.00 0.00 177.00 177.70 2jcc s VAL 18 N 1.57 3.93 -0.40 3.83 1.01 -0.96 -4.94 120.40 124.44 2jcc s VAL 18 Ca 0.61 1.55 0.07 0.00 0.00 0.00 0.00 61.98 64.21 2jcc s VAL 18 Cb -0.31 -3.84 0.17 0.00 0.00 0.00 0.00 36.38 32.41 2jcc s VAL 18 CO 0.28 0.08 0.56 -0.32 0.00 0.00 0.00 175.10 175.69 2jcc s MET 19 N -2.26 0.78 -0.22 2.72 0.00 -1.26 -2.72 119.30 116.36 2jcc s MET 19 Ca 0.54 -0.50 -0.08 0.00 0.00 0.00 0.00 55.69 55.64 2jcc s MET 19 Cb -0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 34.83 34.42 2jcc s MET 19 CO 0.26 -1.20 0.08 -0.51 0.00 0.00 0.00 175.02 173.66 2jcc s LEU 20 N 1.65 3.74 -0.12 4.11 1.43 -0.44 -4.97 118.68 124.08 2jcc s LEU 20 Ca 0.17 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 2jcc s LEU 20 Cb -0.07 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2jcc s LEU 20 CO -0.06 0.08 0.86 0.20 0.23 0.00 0.00 176.35 177.67 2jcc s ASN 21 N 0.93 7.06 -0.13 2.29 0.01 -1.26 -0.87 114.94 122.98 2jcc s ASN 21 Ca 0.04 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 2jcc s ASN 21 Cb -0.14 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2jcc s ASN 21 CO 0.03 -0.35 -0.13 0.00 -1.51 0.00 0.00 177.10 175.14 2jcc s THR 23 N 1.41 2.16 0.21 0.00 -4.23 -0.61 -0.40 115.64 114.16 2jcc s THR 23 Ca 0.02 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2jcc s THR 23 Cb -0.13 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2jcc s THR 23 CO -0.08 -0.21 0.17 -0.72 -0.54 0.00 0.00 174.62 173.25 2jcc s TYR 24 N -1.86 1.07 -0.07 3.99 -0.85 -1.08 0.30 117.35 118.85 2jcc s TYR 24 Ca 0.19 -1.30 0.01 0.00 -0.52 0.00 0.00 57.07 55.45 2jcc s TYR 24 Cb -0.07 -0.47 0.02 0.00 0.38 0.00 0.00 41.96 41.82 2jcc s TYR 24 CO 0.09 -0.68 -0.06 -0.65 -1.52 0.00 0.00 175.55 172.73 2jcc s GLN 25 N -4.14 1.15 -0.01 -3.49 -0.21 -0.66 -4.84 119.66 107.46 2jcc s GLN 25 Ca 0.37 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2jcc s GLN 25 Cb 0.06 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.93 2jcc s GLN 25 CO 0.12 -0.14 0.01 0.45 -2.12 0.00 0.00 175.29 173.61 2jcc s SER 26 N 1.22 0.09 -0.01 5.90 0.15 -1.26 -1.60 113.70 118.19 2jcc s SER 26 Ca -0.05 0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.37 2jcc s SER 26 Cb -0.14 -0.05 -0.15 0.00 -1.71 0.00 0.00 66.02 63.97 2jcc s SER 26 CO -0.02 -0.06 1.08 0.74 1.20 0.00 0.00 173.24 176.18 2jcc h THR 27 N 5.72 0.59 -1.28 6.45 2.02 -1.98 -3.47 112.91 120.97 2jcc h THR 27 Ca -0.35 -0.69 -0.46 0.00 0.77 0.00 0.00 66.41 65.67 2jcc h THR 27 Cb 1.16 0.90 0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2jcc h THR 27 CO 0.49 0.12 -0.11 -0.31 0.37 0.00 0.00 175.52 176.08 2jcc s TYR 28 N -4.24 1.91 -0.19 3.16 1.51 -1.26 -5.01 117.35 113.22 2jcc s TYR 28 Ca -0.13 -0.52 -0.40 0.00 -1.01 0.00 0.00 57.07 55.01 2jcc s TYR 28 Cb 0.02 -2.40 -0.16 0.00 -0.11 0.00 0.00 41.96 39.30 2jcc s TYR 28 CO 0.49 -1.02 1.61 0.45 -1.11 0.00 0.00 175.55 175.97 2jcc n SER 29 N -2.23 2.03 -4.68 2.29 2.88 -1.26 -4.88 113.62 107.77 2jcc n SER 29 Ca 0.13 1.10 -0.42 0.00 -1.33 0.00 0.00 58.87 58.34 2jcc n SER 29 Cb 0.61 -1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 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 2.60 4.31 -0.18 -1.46 0.04 -1.26 -5.04 135.00 134.02 2jcc s PRO 30 Ca 0.95 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.80 2jcc s PRO 30 Cb -1.08 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 29.90 2jcc s PRO 30 CO 0.62 -0.53 -0.16 -0.06 0.04 0.00 0.00 177.00 176.92 2jcc s PHE 31 N 2.43 2.54 0.11 0.56 0.40 -1.26 -5.04 117.98 117.71 2jcc s PHE 31 Ca 0.59 -1.54 0.10 0.00 -0.60 0.00 0.00 56.93 55.48 2jcc s PHE 31 Cb -0.27 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 2jcc s PHE 31 CO 0.23 -0.75 -0.24 -0.51 0.70 0.00 0.00 175.22 174.65 2jcc s LEU 32 N 1.36 2.30 -0.03 -0.37 1.02 -1.26 -0.41 118.68 121.29 2jcc s LEU 32 Ca 0.03 -0.71 -0.01 0.00 0.02 0.00 0.00 54.13 53.46 2jcc s LEU 32 Cb -0.14 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 45.02 2jcc s LEU 32 CO -0.11 0.13 0.06 -0.36 0.02 0.00 0.00 176.35 176.09 2jcc s PHE 33 N -1.08 -0.05 -0.23 0.29 0.40 0.63 -0.40 117.98 117.54 2jcc s PHE 33 Ca 0.10 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 2jcc s PHE 33 Cb -0.10 -0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.31 2jcc s PHE 33 CO 0.05 -0.07 0.19 -1.58 0.70 0.00 0.00 175.22 174.51 2jcc s TRP 34 N 0.51 3.34 0.11 0.36 0.52 -0.59 0.59 118.94 123.77 2jcc s TRP 34 Ca -0.04 0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.42 2jcc s TRP 34 Cb -0.06 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2jcc s TRP 34 CO -0.02 0.10 0.06 0.71 0.02 0.00 0.00 176.95 177.82 2jcc s TYR 35 N 0.95 3.09 -0.04 -1.98 1.51 0.21 -0.56 117.35 120.53 2jcc s TYR 35 Ca 0.09 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.21 2jcc s TYR 35 Cb -0.13 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2jcc s TYR 35 CO 0.04 0.51 -0.18 0.54 -1.11 0.00 0.00 175.55 175.34 2jcc s VAL 36 N -1.46 1.50 -0.26 0.71 0.11 0.22 0.15 120.40 121.38 2jcc s VAL 36 Ca 0.28 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 2jcc s VAL 36 Cb -0.11 -1.28 0.06 0.00 -1.53 0.00 0.00 36.38 33.52 2jcc s VAL 36 CO 0.21 0.43 -0.10 -1.58 -3.33 0.00 0.00 175.10 170.73 2jcc s GLN 37 N -0.09 2.18 0.50 1.54 0.74 0.11 -0.94 119.66 123.70 2jcc s GLN 37 Ca -0.01 -1.37 -0.20 0.00 0.05 0.00 0.00 55.36 53.83 2jcc s GLN 37 Cb -0.11 -2.90 -0.08 0.00 1.10 0.00 0.00 33.01 31.03 2jcc s GLN 37 CO 0.02 -0.59 1.06 -1.01 -0.55 0.00 0.00 175.29 174.21 2jcc s HIS 38 N 1.10 2.93 0.01 1.67 3.76 -1.26 -0.84 115.29 122.66 2jcc s HIS 38 Ca -0.08 1.57 -0.35 0.00 -0.15 0.00 0.00 55.06 56.05 2jcc s HIS 38 Cb -0.20 -3.11 -0.14 0.00 1.11 0.00 0.00 32.58 30.24 2jcc s HIS 38 CO -0.05 -0.98 1.68 -0.11 -0.85 0.00 0.00 174.74 174.43 2jcc n LEU 39 N -1.02 2.98 -2.69 0.89 7.94 -1.26 -1.26 117.00 122.58 2jcc n LEU 39 Ca 0.10 1.04 -0.19 0.00 -1.11 0.00 0.00 56.01 55.86 2jcc n LEU 39 Cb 0.52 -1.35 0.04 0.00 0.53 0.00 0.00 43.42 43.17 2jcc n LEU 39 CO 0.40 -0.31 0.08 0.59 -1.11 0.00 0.00 177.39 177.05 2jcc n ASN 40 N 4.73 -5.39 -4.26 1.96 3.02 -1.26 -5.02 115.26 109.05 2jcc n ASN 40 Ca 0.20 -0.32 -0.14 0.00 -0.03 0.00 0.00 54.58 54.29 2jcc n ASN 40 Cb 0.26 -4.13 -0.10 0.00 -0.61 0.00 0.00 39.78 35.20 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 -5.72 1.24 0.23 3.52 2.02 -0.39 -5.13 118.70 114.47 2jcc s GLU 41 Ca 0.34 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.39 2jcc s GLU 41 Cb -0.15 -0.15 -0.09 0.00 0.10 0.00 0.00 34.13 33.85 2jcc s GLU 41 CO 0.42 -0.25 1.09 0.00 0.02 0.00 0.00 175.26 176.54 2jcc s ALA 42 N -3.80 3.38 0.48 5.21 0.00 -1.26 -4.71 121.76 121.06 2jcc s ALA 42 Ca 0.32 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 2jcc s ALA 42 Cb 0.07 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 2jcc s ALA 42 CO 0.09 -0.15 1.31 -2.30 0.00 0.00 0.00 175.76 174.71 2jcc n PRO 43 N 1.80 1.86 -4.00 0.00 -0.02 -1.26 -4.65 135.00 128.74 2jcc n PRO 43 Ca 0.01 0.67 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2jcc n PRO 43 Cb 0.46 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 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 -2.49 0.82 0.01 -0.52 -2.85 -0.12 -4.96 119.74 109.64 2jcc s LYS 44 Ca 0.65 -1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.16 2jcc s LYS 44 Cb -0.46 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.55 2jcc s LYS 44 CO 0.55 -0.23 1.20 -1.17 0.10 0.00 0.00 175.35 175.79 2jcc s LEU 45 N -2.93 4.33 -0.16 2.77 2.96 -1.26 -0.61 118.68 123.79 2jcc s LEU 45 Ca 0.10 1.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.77 2jcc s LEU 45 Cb 0.06 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2jcc s LEU 45 CO -0.07 -0.51 -0.32 -0.11 -1.32 0.00 0.00 176.35 174.01 2jcc n LEU 46 N 4.48 1.85 -3.75 -0.68 7.94 0.28 -4.88 117.00 122.24 2jcc n LEU 46 Ca 0.10 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.21 2jcc n LEU 46 Cb 0.46 -0.71 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 2jcc n LEU 46 CO 0.55 -0.31 0.02 -1.48 -1.11 0.00 0.00 177.39 175.07 2jcc s LEU 47 N -7.80 0.95 0.03 -1.96 0.05 -0.87 -4.77 118.68 104.32 2jcc s LEU 47 Ca -0.27 -0.50 0.05 0.00 0.05 0.00 0.00 54.13 53.47 2jcc s LEU 47 Cb 0.04 1.41 -0.03 0.00 -2.05 0.00 0.00 46.19 45.55 2jcc s LEU 47 CO 0.39 -0.79 -0.13 -0.54 -0.55 0.00 0.00 176.35 174.74 2jcc s LYS 48 N -3.83 2.28 0.00 1.48 1.02 -1.26 -1.54 119.74 117.88 2jcc s LYS 48 Ca 0.04 -0.88 0.31 0.00 0.02 0.00 0.00 55.97 55.46 2jcc s LYS 48 Cb 0.03 -2.33 1.73 0.00 -0.52 0.00 0.00 37.83 36.75 2jcc s LYS 48 CO -0.11 0.56 2.14 -1.13 -0.92 0.00 0.00 175.35 175.88 2jcc n SER 49 N 1.48 0.16 -4.76 2.83 3.41 0.46 -4.40 113.62 112.80 2jcc n SER 49 Ca -0.16 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 2jcc n SER 49 Cb 0.52 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2jcc n SER 49 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jcc s PHE 50 N -2.12 3.31 0.00 7.33 0.08 -1.26 -4.61 117.98 120.71 2jcc s PHE 50 Ca 0.43 1.52 0.00 0.00 0.12 0.00 0.00 56.93 59.00 2jcc s PHE 50 Cb 0.22 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2jcc s PHE 50 CO 0.39 -1.27 0.00 2.41 -0.10 0.00 0.00 175.22 176.65 2jcc n THR 51 N 1.23 0.00 0.00 0.64 -1.04 -1.26 -3.71 114.28 110.15 2jcc n THR 51 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jcc n THR 51 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2jcc n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jcc n ASP 52 N 0.00 0.00 0.00 8.00 -0.08 -1.26 -2.11 116.55 121.10 2jcc n ASP 52 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jcc n ASP 52 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jcc n ASP 52 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2jcc n ASN 53 N 0.00 0.00 -2.69 1.67 3.02 -1.26 -2.67 115.26 113.33 2jcc n ASN 53 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2jcc n ASN 53 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2jcc n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jcc n LYS 54 N 0.00 1.23 -3.20 3.52 4.76 -0.90 -4.80 118.16 118.78 2jcc n LYS 54 Ca 0.00 -2.27 -0.20 0.00 -2.87 0.00 0.00 58.31 52.97 2jcc n LYS 54 Cb 0.00 -0.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.70 2jcc n LYS 54 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jcc n ARG 55 N -0.54 0.32 -0.10 1.97 1.74 -1.09 0.01 116.66 118.97 2jcc n ARG 55 Ca -0.01 -2.84 -0.19 0.00 -0.77 0.00 0.00 57.85 54.05 2jcc n ARG 55 Cb 0.84 -1.58 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 2jcc n ARG 55 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2jcc n PRO 56 N 2.74 0.54 0.00 5.56 -0.02 -1.24 -4.81 135.00 137.77 2jcc n PRO 56 Ca 0.26 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2jcc n PRO 56 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2jcc n PRO 56 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jcc n GLU 57 N -4.46 0.42 -3.78 -0.52 1.02 0.20 -4.97 120.64 108.54 2jcc n GLU 57 Ca -0.29 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.56 2jcc n GLU 57 Cb 0.61 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.88 2jcc n GLU 57 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jcc s HIS 58 N 2.10 1.76 0.00 -0.32 2.46 -1.26 -1.36 115.29 118.67 2jcc s HIS 58 Ca 0.00 -1.59 0.00 0.00 0.47 0.00 0.00 55.06 53.94 2jcc s HIS 58 Cb 0.00 -1.59 0.00 0.00 -0.13 0.00 0.00 32.58 30.86 2jcc s HIS 58 CO 0.00 -0.80 0.00 0.94 -2.47 0.00 0.00 174.74 172.41 2jcc n GLN 59 N 4.84 0.00 -0.09 2.88 7.27 -1.26 -5.10 117.38 125.92 2jcc n GLN 59 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 2jcc n GLN 59 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2jcc n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jcc n GLY 61 N 0.00 -0.80 3.78 1.69 0.00 -1.26 -4.65 105.19 103.96 2jcc n GLY 61 Ca 0.00 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.69 3.20 0.08 1.61 0.08 -1.25 -4.57 117.98 116.43 2jcc s PHE 62 Ca 0.00 1.62 -0.10 0.00 0.12 0.00 0.00 56.93 58.58 2jcc s PHE 62 Cb 0.00 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 2jcc s PHE 62 CO 0.00 -0.76 0.22 -3.38 -0.10 0.00 0.00 175.22 171.20 2jcc s HIS 63 N -1.66 0.08 -0.03 0.36 -3.43 -0.46 0.58 115.29 110.73 2jcc s HIS 63 Ca 0.59 -0.45 -0.14 0.00 -0.80 0.00 0.00 55.06 54.26 2jcc s HIS 63 Cb -0.23 -0.02 0.02 0.00 -1.43 0.00 0.00 32.58 30.93 2jcc s HIS 63 CO 0.28 -0.53 0.30 0.00 -2.00 0.00 0.00 174.74 172.79 2jcc s ALA 64 N -3.52 -0.77 -0.08 -1.38 0.00 -1.26 -1.44 121.76 113.31 2jcc s ALA 64 Ca 0.02 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2jcc s ALA 64 Cb 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2jcc s ALA 64 CO -0.09 -0.24 -0.18 0.99 0.00 0.00 0.00 175.76 176.24 2jcc s THR 65 N -1.11 1.57 -0.20 0.00 2.01 -1.19 -3.86 115.64 112.86 2jcc s THR 65 Ca -0.12 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.90 2jcc s THR 65 Cb -0.05 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 2jcc s THR 65 CO 0.04 0.45 0.80 -0.22 -0.69 0.00 0.00 174.62 175.00 2jcc s LEU 66 N 0.51 4.14 -0.39 4.42 2.96 0.10 -4.30 118.68 126.12 2jcc s LEU 66 Ca -0.17 1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.78 2jcc s LEU 66 Cb -0.17 -3.17 0.09 0.00 0.50 0.00 0.00 46.19 43.43 2jcc s LEU 66 CO 0.06 -0.42 0.19 -1.00 -1.32 0.00 0.00 176.35 173.86 2jcc s HIS 67 N 2.33 3.43 0.35 5.38 3.76 -0.35 -4.37 115.29 125.82 2jcc s HIS 67 Ca 0.36 -1.96 0.13 0.00 -0.15 0.00 0.00 55.06 53.43 2jcc s HIS 67 Cb -0.16 -2.92 0.65 0.00 1.11 0.00 0.00 32.58 31.26 2jcc s HIS 67 CO 0.11 -0.89 1.78 0.87 -0.85 0.00 0.00 174.74 175.75 2jcc h LYS 68 N 8.19 0.00 -0.39 1.40 1.57 -1.96 -1.36 116.57 124.02 2jcc h LYS 68 Ca -0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 2jcc h LYS 68 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2jcc h LYS 68 CO 0.69 0.42 0.01 0.66 -0.57 0.00 0.00 179.45 180.67 2jcc h SER 69 N 0.00 0.57 -0.28 0.86 4.64 -1.96 -2.56 113.55 114.82 2jcc h SER 69 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2jcc h SER 69 Cb 0.75 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2jcc h SER 69 CO 0.05 0.63 0.00 -1.54 -0.87 0.00 0.00 176.83 175.11 2jcc n SER 70 N -4.27 2.80 -3.85 4.97 3.41 -1.20 -5.01 113.62 110.48 2jcc n SER 70 Ca 0.02 -2.06 -0.37 0.00 -0.26 0.00 0.00 58.87 56.20 2jcc n SER 70 Cb 0.25 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.27 -4.84 -4.38 4.04 7.64 -0.61 -4.87 113.62 110.86 2jcc n SER 71 Ca 0.10 -1.12 -0.31 0.00 1.01 0.00 0.00 58.87 58.55 2jcc n SER 71 Cb 0.42 -2.53 -0.14 0.00 -1.01 0.00 0.00 64.21 60.95 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 -3.44 3.42 -0.37 6.43 0.01 -0.65 -2.64 113.70 116.45 2jcc s SER 72 Ca 0.44 -0.47 0.13 0.00 1.31 0.00 0.00 55.95 57.36 2jcc s SER 72 Cb -0.20 -0.46 0.37 0.00 0.21 0.00 0.00 66.02 65.94 2jcc s SER 72 CO 0.91 0.28 0.80 0.33 0.41 0.00 0.00 173.24 175.98 2jcc n PHE 73 N 1.94 0.15 -2.07 2.43 7.35 0.46 -1.21 117.46 126.52 2jcc n PHE 73 Ca -0.17 -3.51 -0.42 0.00 -0.76 0.00 0.00 57.45 52.60 2jcc n PHE 73 Cb 0.52 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 40.05 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 -2.37 3.02 0.22 -5.13 3.76 -1.26 -4.29 115.29 109.25 2jcc s HIS 74 Ca 0.36 0.75 -0.30 0.00 -0.15 0.00 0.00 55.06 55.72 2jcc s HIS 74 Cb 0.37 -3.79 -0.08 0.00 1.11 0.00 0.00 32.58 30.18 2jcc s HIS 74 CO -0.06 -2.92 0.98 -1.17 -0.85 0.00 0.00 174.74 170.73 2jcc s LEU 75 N 1.50 4.59 0.04 0.89 2.96 -0.05 -4.22 118.68 124.40 2jcc s LEU 75 Ca 0.67 1.99 -0.04 0.00 -0.22 0.00 0.00 54.13 56.53 2jcc s LEU 75 Cb -0.39 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.68 2jcc s LEU 75 CO 0.30 0.04 0.06 -1.10 -1.32 0.00 0.00 176.35 174.33 2jcc s GLN 76 N -0.96 0.57 0.00 1.98 -0.21 -0.52 -1.33 119.66 119.20 2jcc s GLN 76 Ca 0.43 -0.85 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 2jcc s GLN 76 Cb -0.27 0.22 0.07 0.00 1.00 0.00 0.00 33.01 34.03 2jcc s GLN 76 CO 0.33 -0.13 0.64 0.21 -2.12 0.00 0.00 175.29 174.21 2jcc s LYS 77 N -2.83 1.09 0.03 2.91 2.20 -1.10 -1.67 119.74 120.37 2jcc s LYS 77 Ca -0.03 0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 2jcc s LYS 77 Cb 0.00 0.51 -0.35 0.00 -1.51 0.00 0.00 37.83 36.48 2jcc s LYS 77 CO -0.06 -0.38 1.01 0.66 -0.36 0.00 0.00 175.35 176.22 2jcc h SER 78 N 2.80 0.81 -2.69 1.43 4.64 -1.82 -2.54 113.55 116.17 2jcc h SER 78 Ca -0.29 -0.87 -0.43 0.00 -0.47 0.00 0.00 61.79 59.73 2jcc h SER 78 Cb 1.18 -0.26 -0.38 0.00 -0.31 0.00 0.00 62.40 62.63 2jcc h SER 78 CO 0.39 1.68 -0.72 -0.55 -0.87 0.00 0.00 176.83 176.77 2jcc s SER 79 N -7.54 2.46 0.49 4.97 0.15 -1.26 -3.28 113.70 109.69 2jcc s SER 79 Ca -0.09 -0.80 -0.23 0.00 0.70 0.00 0.00 55.95 55.53 2jcc s SER 79 Cb 0.04 -0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 2jcc s SER 79 CO 0.94 -0.38 1.33 0.00 1.20 0.00 0.00 173.24 176.33 2jcc s ALA 80 N 2.20 2.99 0.04 5.45 0.00 0.03 -4.70 121.76 127.77 2jcc s ALA 80 Ca 0.07 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.33 2jcc s ALA 80 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 2jcc s ALA 80 CO -0.24 -1.14 -0.08 1.14 0.00 0.00 0.00 175.76 175.44 2jcc s GLN 81 N -2.68 0.55 0.47 0.00 -2.07 -1.26 -0.02 119.66 114.64 2jcc s GLN 81 Ca 0.66 -0.72 0.30 0.00 -1.82 0.00 0.00 55.36 53.78 2jcc s GLN 81 Cb -0.39 -0.36 1.39 0.00 -1.09 0.00 0.00 33.01 32.56 2jcc s GLN 81 CO 0.47 0.07 1.72 -0.07 -1.32 0.00 0.00 175.29 176.16 2jcc h LEU 82 N 4.63 0.22 -0.86 2.60 3.38 -1.94 0.64 115.31 123.97 2jcc h LEU 82 Ca -0.36 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jcc h LEU 82 Cb 1.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jcc h LEU 82 CO 0.41 -0.02 0.00 0.77 0.09 0.00 0.00 178.44 179.69 2jcc h SER 83 N 0.15 0.00 0.80 -0.43 4.64 -1.96 -2.61 113.55 114.14 2jcc h SER 83 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 2jcc h SER 83 Cb 2.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 2jcc h SER 83 CO -0.22 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.21 2jcc n ASP 84 N -2.46 0.35 -4.64 4.97 8.00 0.22 -4.81 116.55 118.18 2jcc n ASP 84 Ca 0.02 0.57 -0.45 0.00 0.71 0.00 0.00 54.79 55.63 2jcc n ASP 84 Cb 0.26 -0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 2jcc n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jcc n SER 85 N -1.87 3.58 -3.26 -2.24 7.64 -0.98 -4.87 113.62 111.61 2jcc n SER 85 Ca 0.04 0.76 0.01 0.00 1.01 0.00 0.00 58.87 60.69 2jcc n SER 85 Cb 0.25 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.01 2jcc n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jcc n ALA 86 N 8.17 -2.84 -2.75 -0.43 0.00 -0.60 -4.73 120.51 117.33 2jcc n ALA 86 Ca 0.24 -0.71 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 2jcc n ALA 86 Cb 0.36 0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 2jcc n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jcc s LEU 87 N 0.00 3.88 -0.21 0.00 2.96 -0.02 0.40 118.68 125.69 2jcc s LEU 87 Ca 0.24 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.09 2jcc s LEU 87 Cb -0.01 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2jcc s LEU 87 CO 0.01 0.02 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.73 2jcc s TYR 88 N 1.34 3.00 -0.17 5.38 1.51 0.39 0.09 117.35 128.90 2jcc s TYR 88 Ca 0.06 -0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 2jcc s TYR 88 Cb -0.15 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2jcc s TYR 88 CO 0.06 -0.34 0.03 0.71 -1.11 0.00 0.00 175.55 174.91 2jcc s TYR 89 N 1.15 3.19 -0.15 2.71 1.51 0.12 -1.12 117.35 124.77 2jcc s TYR 89 Ca 0.02 -0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 2jcc s TYR 89 Cb -0.14 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2jcc s TYR 89 CO 0.01 0.11 0.41 0.00 -1.11 0.00 0.00 175.55 174.96 2jcc s ALA 91 N 0.73 1.19 -0.20 0.00 0.00 0.20 0.29 121.76 123.98 2jcc s ALA 91 Ca 0.22 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 2jcc s ALA 91 Cb -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2jcc s ALA 91 CO 0.08 0.17 0.22 -1.17 0.00 0.00 0.00 175.76 175.06 2jcc s LEU 92 N 0.31 4.19 -0.37 0.00 2.96 0.02 -0.27 118.68 125.52 2jcc s LEU 92 Ca -0.07 0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 54.02 2jcc s LEU 92 Cb -0.12 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 2jcc s LEU 92 CO 0.02 0.09 0.35 0.12 -1.32 0.00 0.00 176.35 175.62 2jcc s PHE 93 N 0.68 3.21 -0.43 5.38 5.36 0.45 0.40 117.98 133.02 2jcc s PHE 93 Ca 0.12 -0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 55.76 2jcc s PHE 93 Cb -0.13 -2.68 0.07 0.00 -0.34 0.00 0.00 43.02 39.94 2jcc s PHE 93 CO 0.03 -0.51 0.30 -0.51 -1.46 0.00 0.00 175.22 173.07 2jcc s LEU 96 N 1.96 5.26 0.00 6.12 1.43 0.13 -4.46 118.68 129.12 2jcc s LEU 96 Ca 0.10 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2jcc s LEU 96 Cb -0.17 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2jcc s LEU 96 CO 0.12 -0.55 0.27 0.00 0.23 0.00 0.00 176.35 176.42 2jcc n ALA 97 N 5.03 0.58 -0.67 4.21 0.00 -1.26 -1.64 120.51 126.76 2jcc n ALA 97 Ca -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2jcc n ALA 97 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2jcc n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jcc n SER 98 N 0.00 0.00 0.06 0.00 7.64 -1.26 -4.65 113.62 115.40 2jcc n SER 98 Ca 0.00 0.37 -0.18 0.00 1.01 0.00 0.00 58.87 60.07 2jcc n SER 98 Cb 0.39 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 2jcc n SER 98 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2jcc h SER 99 N 0.00 0.43 -2.03 6.43 4.64 -2.01 -3.48 113.55 117.52 2jcc h SER 99 Ca 0.00 -0.64 -0.45 0.00 -0.47 0.00 0.00 61.79 60.23 2jcc h SER 99 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2jcc h SER 99 CO 0.00 1.54 -0.35 -0.94 -0.87 0.00 0.00 176.83 176.20 2jcc s SER 100 N -7.01 6.10 0.18 4.97 1.04 -1.26 -5.05 113.70 112.67 2jcc s SER 100 Ca -0.11 -0.04 -0.32 0.00 0.48 0.00 0.00 55.95 55.96 2jcc s SER 100 Cb 0.07 -1.51 -0.11 0.00 0.10 0.00 0.00 66.02 64.56 2jcc s SER 100 CO 0.85 -0.31 1.71 0.12 0.98 0.00 0.00 173.24 176.59 2jcc s PHE 101 N -2.13 2.81 -0.34 5.02 5.36 -1.26 -4.07 117.98 123.36 2jcc s PHE 101 Ca 0.41 0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 56.47 2jcc s PHE 101 Cb -0.09 -4.10 -0.11 0.00 -0.34 0.00 0.00 43.02 38.37 2jcc s PHE 101 CO 0.31 -4.23 1.31 0.43 -1.46 0.00 0.00 175.22 171.58 2jcc n SER 102 N 4.28 0.40 -3.89 6.13 7.64 -1.24 -4.77 113.62 122.17 2jcc n SER 102 Ca 0.16 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.28 2jcc n SER 102 Cb 0.36 -0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 2jcc n SER 102 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jcc s LYS 103 N 3.83 0.45 -0.03 1.43 -2.85 -0.65 -5.00 119.74 116.91 2jcc s LYS 103 Ca 0.72 -0.42 -0.17 0.00 -1.00 0.00 0.00 55.97 55.10 2jcc s LYS 103 Cb -0.86 0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.04 2jcc s LYS 103 CO 0.37 -0.10 0.47 -0.51 0.10 0.00 0.00 175.35 175.68 2jcc s LEU 104 N -1.37 4.41 -0.36 2.77 1.43 -1.26 -0.69 118.68 123.60 2jcc s LEU 104 Ca -0.15 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2jcc s LEU 104 Cb -0.08 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.51 2jcc s LEU 104 CO 0.01 0.19 0.14 -0.69 0.23 0.00 0.00 176.35 176.22 2jcc s VAL 105 N -0.40 3.62 0.32 -1.59 1.01 0.16 -4.94 120.40 118.57 2jcc s VAL 105 Ca 0.26 -1.43 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 2jcc s VAL 105 Cb -0.17 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2jcc s VAL 105 CO 0.13 -0.34 0.82 -0.36 0.00 0.00 0.00 175.10 175.36 2jcc s PHE 106 N 1.32 3.51 0.29 5.22 0.08 -1.26 -0.80 117.98 126.34 2jcc s PHE 106 Ca 0.01 1.48 -0.05 0.00 0.12 0.00 0.00 56.93 58.48 2jcc s PHE 106 Cb -0.21 -2.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.60 2jcc s PHE 106 CO 0.00 0.15 0.32 0.41 -0.10 0.00 0.00 175.22 176.00 2jcc n GLY 107 N 0.11 -1.82 0.00 4.36 0.00 0.15 -4.85 105.19 103.13 2jcc n GLY 107 Ca 0.02 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.61 2jcc n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jcc n GLN 108 N -2.03 0.60 -0.56 1.61 6.02 -1.26 -4.86 117.38 116.90 2jcc n GLN 108 Ca 0.04 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 2jcc n GLN 108 Cb 0.15 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 2jcc n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jcc n GLY 109 N 1.09 -3.17 2.97 1.08 0.00 -1.26 -5.00 105.19 100.91 2jcc n GLY 109 Ca 0.17 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.26 1.03 -0.14 2.61 2.01 -0.28 -4.64 115.64 111.98 2jcc s THR 110 Ca 0.00 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 2jcc s THR 110 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2jcc s THR 110 CO 0.00 0.34 0.93 -0.44 -0.69 0.00 0.00 174.62 174.77 2jcc s SER 111 N 1.00 7.11 -0.19 3.53 0.01 -1.08 -0.46 113.70 123.63 2jcc s SER 111 Ca -0.08 1.37 -0.07 0.00 1.31 0.00 0.00 55.95 58.47 2jcc s SER 111 Cb -0.15 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2jcc s SER 111 CO -0.00 -0.44 0.06 -0.22 0.41 0.00 0.00 173.24 173.05 2jcc s LEU 112 N 2.15 3.77 -0.26 2.44 2.96 0.16 -0.65 118.68 129.24 2jcc s LEU 112 Ca 0.44 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 2jcc s LEU 112 Cb -0.17 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.64 2jcc s LEU 112 CO 0.15 0.16 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.78 2jcc s SER 113 N 0.46 3.98 -0.19 3.68 0.15 0.75 -1.56 113.70 120.98 2jcc s SER 113 Ca 0.03 -1.39 -0.13 0.00 0.70 0.00 0.00 55.95 55.16 2jcc s SER 113 Cb -0.13 -1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 2jcc s SER 113 CO 0.01 -0.29 0.25 0.54 1.20 0.00 0.00 173.24 174.94 2jcc s VAL 114 N 1.38 5.32 0.09 4.45 0.11 -1.26 -1.45 120.40 129.04 2jcc s VAL 114 Ca -0.00 0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2jcc s VAL 114 Cb -0.19 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2jcc s VAL 114 CO -0.10 0.37 -0.10 0.68 -3.33 0.00 0.00 175.10 172.62 2jcc s VAL 115 N 0.69 3.37 0.38 2.04 -7.23 -0.01 -4.76 120.40 114.89 2jcc s VAL 115 Ca 0.13 -1.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 2jcc s VAL 115 Cb -0.13 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 2jcc s VAL 115 CO 0.03 0.15 1.38 -2.84 -0.31 0.00 0.00 175.10 173.51 2jcc s PRO 116 N -2.09 4.09 -0.75 4.82 0.02 -1.26 -0.76 135.00 139.06 2jcc s PRO 116 Ca 0.21 2.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.32 2jcc s PRO 116 Cb -0.11 -2.90 0.05 0.00 0.02 0.00 0.00 34.50 31.55 2jcc s PRO 116 CO 0.13 -0.46 1.20 1.21 -0.33 0.00 0.00 177.00 178.75 2jcc s ASN 117 N -0.44 6.21 -0.42 2.53 2.47 -1.26 -4.53 114.94 119.49 2jcc s ASN 117 Ca 0.54 -0.74 -0.29 0.00 0.42 0.00 0.00 52.86 52.79 2jcc s ASN 117 Cb -0.42 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 36.88 2jcc s ASN 117 CO 0.56 -1.68 1.25 -0.63 -3.72 0.00 0.00 177.10 172.88 2jcc s ILE 118 N 5.11 4.12 -0.02 -5.21 -1.09 -1.26 -4.93 121.20 117.92 2jcc s ILE 118 Ca 0.32 1.17 -0.25 0.00 -2.23 0.00 0.00 60.65 59.66 2jcc s ILE 118 Cb -0.10 -4.40 -0.19 0.00 -1.58 0.00 0.00 42.46 36.18 2jcc s ILE 118 CO 0.11 -0.83 1.24 -0.61 -1.23 0.00 0.00 174.94 173.62 2jcc h GLN 119 N 9.65 -0.06 -3.83 2.79 4.15 -1.97 -3.40 115.11 122.44 2jcc h GLN 119 Ca -0.25 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.55 2jcc h GLN 119 Cb 1.08 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 28.38 2jcc h GLN 119 CO 1.10 0.39 -0.72 -0.80 -1.93 0.00 0.00 178.83 176.87 2jcc s ASN 120 N -5.59 4.28 0.43 -0.69 0.01 -1.26 -5.12 114.94 106.99 2jcc s ASN 120 Ca -0.15 -2.27 -0.22 0.00 -0.71 0.00 0.00 52.86 49.50 2jcc s ASN 120 Cb 0.02 -1.32 -0.09 0.00 0.41 0.00 0.00 41.25 40.26 2jcc s ASN 120 CO 0.64 -0.34 1.01 -2.84 -1.51 0.00 0.00 177.10 174.06 2jcc s PRO 121 N 0.76 4.09 -0.39 -0.60 0.02 -1.26 -5.02 135.00 132.60 2jcc s PRO 121 Ca 0.13 1.34 0.08 0.00 0.02 0.00 0.00 61.00 62.58 2jcc s PRO 121 Cb -0.21 -2.32 0.26 0.00 0.02 0.00 0.00 34.50 32.25 2jcc s PRO 121 CO -0.09 -0.17 0.54 0.39 -0.33 0.00 0.00 177.00 177.33 2jcc n GLU 122 N -0.47 0.73 -1.67 5.54 1.02 0.13 -5.03 120.64 120.89 2jcc n GLU 122 Ca 0.07 -3.22 -0.44 0.00 -0.02 0.00 0.00 57.16 53.54 2jcc n GLU 122 Cb 0.52 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 2jcc n GLU 122 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jcc n PRO 123 N 1.32 2.65 -3.79 3.49 -0.04 -1.21 -4.62 135.00 132.80 2jcc n PRO 123 Ca 0.21 0.97 -0.13 0.00 -0.04 0.00 0.00 63.50 64.52 2jcc n PRO 123 Cb 0.54 -2.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.01 2jcc n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jcc s ALA 124 N 4.09 -0.63 -0.19 0.55 0.00 -1.13 -5.03 121.76 119.42 2jcc s ALA 124 Ca 0.89 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2jcc s ALA 124 Cb -0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2jcc s ALA 124 CO 0.44 -0.15 -0.04 0.08 0.00 0.00 0.00 175.76 176.09 2jcc s VAL 125 N -0.19 3.55 0.35 0.00 1.01 -1.26 -2.05 120.40 121.79 2jcc s VAL 125 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2jcc s VAL 125 Cb -0.03 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2jcc s VAL 125 CO 0.01 0.45 0.18 -0.31 0.00 0.00 0.00 175.10 175.43 2jcc s TYR 126 N 1.01 2.73 0.00 5.22 2.02 0.09 -4.96 117.35 123.46 2jcc s TYR 126 Ca 0.00 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2jcc s TYR 126 Cb -0.15 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2jcc s TYR 126 CO 0.00 0.29 -0.04 -1.14 -1.57 0.00 0.00 175.55 173.10 2jcc s GLN 127 N -3.88 2.65 0.03 -0.62 0.74 -1.26 -2.03 119.66 115.29 2jcc s GLN 127 Ca 0.39 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 55.14 2jcc s GLN 127 Cb -0.03 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 2jcc s GLN 127 CO 0.23 0.61 -0.07 -0.51 -0.55 0.00 0.00 175.29 175.00 2jcc s LEU 128 N -1.47 2.18 -0.09 3.68 1.43 -0.07 -4.97 118.68 119.36 2jcc s LEU 128 Ca 0.18 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2jcc s LEU 128 Cb -0.11 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 2jcc s LEU 128 CO 0.09 -0.11 -0.22 -0.54 0.23 0.00 0.00 176.35 175.79 2jcc s LYS 129 N -1.12 2.94 -0.71 1.70 1.02 -1.26 -1.00 119.74 121.31 2jcc s LYS 129 Ca -0.06 -0.85 -0.26 0.00 0.02 0.00 0.00 55.97 54.82 2jcc s LYS 129 Cb -0.07 -2.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2jcc s LYS 129 CO 0.00 0.26 1.19 0.34 -0.92 0.00 0.00 175.35 176.22 2jcc s ASP 132 N 0.16 6.18 0.42 2.83 -1.08 -0.80 -4.93 116.67 119.45 2jcc s ASP 132 Ca -0.12 -0.56 0.21 0.00 -0.52 0.00 0.00 52.55 51.55 2jcc s ASP 132 Cb -0.16 -2.52 0.91 0.00 -1.46 0.00 0.00 42.92 39.69 2jcc s ASP 132 CO 0.07 -1.72 1.85 1.55 0.52 0.00 0.00 175.17 177.43 2jcc h PRO 133 N 9.89 0.00 -0.03 4.34 0.13 -1.98 -2.21 132.00 142.14 2jcc h PRO 133 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 2jcc h PRO 133 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2jcc h PRO 133 CO 1.25 0.29 -0.77 0.00 -0.23 0.00 0.00 178.00 178.54 2jcc h ARG 134 N 0.00 0.25 -6.94 0.86 3.08 -1.98 -3.44 114.38 106.21 2jcc h ARG 134 Ca -0.00 -0.23 -0.49 0.00 0.07 0.00 0.00 59.98 59.33 2jcc h ARG 134 Cb 0.70 0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.82 2jcc h ARG 134 CO 0.04 0.90 0.15 -1.12 -1.07 0.00 0.00 179.97 178.87 2jcc s SER 135 N -6.93 6.38 0.13 7.04 0.01 -0.83 -5.03 113.70 114.48 2jcc s SER 135 Ca -0.04 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.30 2jcc s SER 135 Cb 0.11 -2.31 -0.11 0.00 0.21 0.00 0.00 66.02 63.92 2jcc s SER 135 CO 0.82 -0.53 1.29 0.06 0.41 0.00 0.00 173.24 175.30 2jcc h GLN 136 N 0.65 0.24 0.00 12.44 -0.00 -1.87 -3.41 115.11 123.17 2jcc h GLN 136 Ca -0.47 -0.31 0.00 0.00 -0.00 0.00 0.00 58.65 57.88 2jcc h GLN 136 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2jcc h GLN 136 CO 0.63 1.06 -0.01 -0.40 -0.00 0.00 0.00 178.83 180.10 2jcc n ASP 137 N -3.62 0.00 -4.60 0.06 5.75 -1.26 -5.07 116.55 107.81 2jcc n ASP 137 Ca -0.05 -1.02 -0.43 0.00 -0.01 0.00 0.00 54.79 53.28 2jcc n ASP 137 Cb 0.88 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.94 2jcc n ASP 137 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jcc s SER 138 N -0.02 6.14 0.40 -1.12 0.15 -1.26 -4.99 113.70 113.00 2jcc s SER 138 Ca 0.00 1.12 0.03 0.00 0.70 0.00 0.00 55.95 57.80 2jcc s SER 138 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 2jcc s SER 138 CO 0.00 -1.54 0.24 0.35 1.20 0.00 0.00 173.24 173.49 2jcc n THR 139 N 7.18 0.00 -3.55 6.45 -2.24 -1.26 -1.91 114.28 118.95 2jcc n THR 139 Ca 0.20 -1.66 -0.11 0.00 -2.27 0.00 0.00 64.05 60.20 2jcc n THR 139 Cb 0.47 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 2jcc n THR 139 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jcc s LEU 140 N 0.00 0.00 -0.05 3.22 2.96 -0.17 -4.69 118.68 119.95 2jcc s LEU 140 Ca 0.18 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2jcc s LEU 140 Cb -0.01 2.14 0.02 0.00 0.50 0.00 0.00 46.19 48.84 2jcc s LEU 140 CO 0.11 -0.88 -0.06 0.00 -1.32 0.00 0.00 176.35 174.20 2jcc s LEU 142 N 0.83 2.71 -0.13 0.00 2.96 -0.86 -1.17 118.68 123.03 2jcc s LEU 142 Ca -0.12 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2jcc s LEU 142 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2jcc s LEU 142 CO 0.01 0.16 -0.09 0.12 -1.32 0.00 0.00 176.35 175.24 2jcc s PHE 143 N 0.37 2.91 0.22 5.38 5.36 -0.12 -0.73 117.98 131.37 2jcc s PHE 143 Ca -0.11 -0.42 -0.16 0.00 -0.96 0.00 0.00 56.93 55.28 2jcc s PHE 143 Cb -0.16 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 2jcc s PHE 143 CO 0.06 -0.07 0.53 -0.08 -1.46 0.00 0.00 175.22 174.20 2jcc s THR 144 N 0.20 0.02 -1.73 0.12 -1.32 -0.87 -0.65 115.64 111.41 2jcc s THR 144 Ca -0.05 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 2jcc s THR 144 Cb -0.15 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 2jcc s THR 144 CO 0.04 -0.07 0.00 0.47 -2.21 0.00 0.00 174.62 172.85 2jcc n ASP 145 N -0.37 -5.46 -4.97 8.08 8.00 -0.51 -2.84 116.55 118.48 2jcc n ASP 145 Ca -0.07 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.33 2jcc n ASP 145 Cb 0.62 -4.61 0.03 0.00 -0.02 0.00 0.00 41.12 37.13 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 -2.90 2.94 0.34 1.24 -0.71 -1.26 -0.69 117.98 116.94 2jcc s PHE 146 Ca 0.00 0.05 -0.27 0.00 -1.04 0.00 0.00 56.93 55.67 2jcc s PHE 146 Cb 0.00 -2.66 -0.09 0.00 -1.21 0.00 0.00 43.02 39.05 2jcc s PHE 146 CO 0.00 -0.77 1.11 0.34 -1.34 0.00 0.00 175.22 174.56 2jcc s ASP 147 N -4.38 6.92 0.59 1.98 -1.08 -1.26 -4.51 116.67 114.92 2jcc s ASP 147 Ca 0.55 2.25 0.30 0.00 -0.52 0.00 0.00 52.55 55.14 2jcc s ASP 147 Cb -0.10 -2.61 1.84 0.00 -1.46 0.00 0.00 42.92 40.58 2jcc s ASP 147 CO 0.38 -0.39 2.25 0.28 0.52 0.00 0.00 175.17 178.22 2jcc h SER 148 N 3.14 0.00 1.16 -0.34 0.02 -1.94 -2.76 113.55 112.84 2jcc h SER 148 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2jcc h SER 148 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jcc h SER 148 CO 0.64 0.01 0.00 1.56 -1.14 0.00 0.00 176.83 177.90 2jcc h GLN 149 N 0.00 0.00 -7.16 3.45 1.08 -1.92 -3.45 115.11 107.11 2jcc h GLN 149 Ca -0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 2jcc h GLN 149 Cb 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2jcc h GLN 149 CO 0.00 0.00 0.37 0.96 -0.95 0.00 0.00 178.83 179.21 2jcc s ILE 150 N -3.35 4.35 -0.20 2.54 -4.36 -1.04 -5.05 121.20 114.09 2jcc s ILE 150 Ca 0.05 1.22 -0.11 0.00 -0.26 0.00 0.00 60.65 61.55 2jcc s ILE 150 Cb 0.09 -3.63 -0.05 0.00 1.25 0.00 0.00 42.46 40.12 2jcc s ILE 150 CO 0.52 -0.56 0.19 0.20 0.24 0.00 0.00 174.94 175.53 2jcc s ASN 151 N -2.78 6.26 0.03 4.36 0.01 -1.26 -5.03 114.94 116.53 2jcc s ASN 151 Ca 0.61 0.30 -0.29 0.00 -0.71 0.00 0.00 52.86 52.76 2jcc s ASN 151 Cb -0.11 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2jcc s ASN 151 CO 0.28 0.13 0.95 -0.69 -1.51 0.00 0.00 177.10 176.26 2jcc s VAL 152 N 0.53 4.76 0.70 1.60 1.01 -1.26 -4.10 120.40 123.65 2jcc s VAL 152 Ca 0.11 2.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.98 2jcc s VAL 152 Cb -0.12 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2jcc s VAL 152 CO 0.01 0.22 1.08 -2.84 0.00 0.00 0.00 175.10 173.56 2jcc s PRO 153 N 0.66 2.74 -0.07 2.72 0.02 -1.26 -5.03 135.00 134.78 2jcc s PRO 153 Ca 0.49 1.12 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 2jcc s PRO 153 Cb -0.21 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2jcc s PRO 153 CO 0.28 -1.26 0.15 0.15 -0.33 0.00 0.00 177.00 175.99 2jcc s LYS 154 N -4.74 3.43 0.22 5.54 -0.14 -1.26 -4.91 119.74 117.87 2jcc s LYS 154 Ca 0.61 -0.21 -0.32 0.00 -1.36 0.00 0.00 55.97 54.68 2jcc s LYS 154 Cb -0.16 -3.14 -0.13 0.00 -1.68 0.00 0.00 37.83 32.72 2jcc s LYS 154 CO 0.51 0.74 1.57 -2.37 -0.76 0.00 0.00 175.35 175.04 2jcc n THR 155 N 1.56 0.45 0.78 2.17 5.66 -1.26 -4.92 114.28 118.73 2jcc n THR 155 Ca -0.16 -0.11 0.09 0.00 -3.05 0.00 0.00 64.05 60.81 2jcc n THR 155 Cb 0.54 -1.70 0.02 0.00 -1.55 0.00 0.00 70.33 67.64 2jcc n THR 155 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2jcc n MET 156 N 2.92 1.58 -4.25 1.09 2.81 -1.26 -5.01 117.12 115.00 2jcc n MET 156 Ca 0.14 -1.09 -0.15 0.00 -1.81 0.00 0.00 57.70 54.79 2jcc n MET 156 Cb 0.32 -1.34 -0.10 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.90 1.05 0.64 0.03 -1.05 -1.26 -5.15 118.70 111.07 2jcc s GLU 157 Ca 0.17 -1.40 -0.13 0.00 -0.15 0.00 0.00 54.97 53.46 2jcc s GLU 157 Cb 0.15 -0.69 -0.01 0.00 -0.44 0.00 0.00 34.13 33.13 2jcc s GLU 157 CO 0.38 0.10 1.06 -1.54 0.95 0.00 0.00 175.26 176.21 2jcc s SER 158 N -2.99 5.58 0.00 0.83 1.04 -1.26 -3.73 113.70 113.17 2jcc s SER 158 Ca 0.15 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2jcc s SER 158 Cb 0.01 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2jcc s SER 158 CO 0.01 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2jcc n GLY 159 N -1.47 2.20 3.87 7.32 0.00 -1.26 -4.93 105.19 110.92 2jcc n GLY 159 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 5.15 -0.06 2.61 2.01 -1.24 -2.89 115.64 121.21 2jcc s THR 160 Ca 0.00 0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 2jcc s THR 160 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2jcc s THR 160 CO 0.00 0.34 0.16 -0.36 -0.69 0.00 0.00 174.62 174.07 2jcc s PHE 161 N -1.33 -0.18 -0.05 4.92 0.40 0.60 -4.79 117.98 117.56 2jcc s PHE 161 Ca 0.30 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 2jcc s PHE 161 Cb -0.14 0.02 0.01 0.00 0.51 0.00 0.00 43.02 43.42 2jcc s PHE 161 CO 0.17 -0.11 -0.12 0.42 0.70 0.00 0.00 175.22 176.28 2jcc s ILE 162 N 0.41 1.07 0.74 0.64 1.01 -1.26 -1.27 121.20 122.55 2jcc s ILE 162 Ca -0.03 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2jcc s ILE 162 Cb -0.04 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.50 2jcc s ILE 162 CO -0.02 0.33 1.12 0.42 0.00 0.00 0.00 174.94 176.79 2jcc s THR 163 N 0.39 3.01 0.34 2.92 -4.23 -0.37 -4.73 115.64 112.98 2jcc s THR 163 Ca -0.09 0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 60.49 2jcc s THR 163 Cb -0.13 -3.32 -0.10 0.00 1.34 0.00 0.00 72.50 70.29 2jcc s THR 163 CO 0.02 -0.43 0.95 -1.81 -0.54 0.00 0.00 174.62 172.82 2jcc s ASP 164 N -4.43 7.24 0.44 3.99 1.01 -1.26 -4.70 116.67 118.97 2jcc s ASP 164 Ca 0.59 1.83 -0.25 0.00 0.71 0.00 0.00 52.55 55.44 2jcc s ASP 164 Cb -0.11 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 2jcc s ASP 164 CO 0.51 -0.14 1.21 2.29 0.21 0.00 0.00 175.17 179.25 2jcc n LYS 165 N 0.36 1.73 -4.26 8.23 2.85 -1.26 -4.82 118.16 120.98 2jcc n LYS 165 Ca 0.03 0.62 -0.16 0.00 -1.05 0.00 0.00 58.31 57.75 2jcc n LYS 165 Cb 0.51 -2.31 -0.10 0.00 -0.65 0.00 0.00 35.03 32.47 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 -1.24 1.29 -0.21 0.58 -4.23 0.53 -4.91 115.64 107.44 2jcc s THR 166 Ca 0.63 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 2jcc s THR 166 Cb -0.51 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2jcc s THR 166 CO 0.56 -0.65 0.04 -0.69 -0.54 0.00 0.00 174.62 173.34 2jcc s VAL 167 N -3.01 4.28 0.04 2.29 1.01 -1.26 -0.04 120.40 123.72 2jcc s VAL 167 Ca 0.16 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2jcc s VAL 167 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jcc s VAL 167 CO 0.02 0.40 -0.20 -1.48 0.00 0.00 0.00 175.10 173.85 2jcc s LEU 168 N 1.07 2.52 -0.17 3.92 0.05 -0.25 -4.96 118.68 120.86 2jcc s LEU 168 Ca 0.03 -0.46 0.00 0.00 0.05 0.00 0.00 54.13 53.76 2jcc s LEU 168 Cb -0.14 -1.47 0.03 0.00 -2.05 0.00 0.00 46.19 42.56 2jcc s LEU 168 CO 0.03 0.26 -0.11 -0.62 -0.55 0.00 0.00 176.35 175.36 2jcc s ASP 169 N -1.39 2.97 -0.21 1.48 -1.08 -1.26 -1.11 116.67 116.07 2jcc s ASP 169 Ca 0.14 -0.67 -0.17 0.00 -0.52 0.00 0.00 52.55 51.33 2jcc s ASP 169 Cb -0.10 -1.14 -0.03 0.00 -1.46 0.00 0.00 42.92 40.18 2jcc s ASP 169 CO 0.05 -0.12 0.46 -0.04 0.52 0.00 0.00 175.17 176.04 2jcc s MET 170 N 1.49 4.16 0.44 4.34 -1.94 -1.24 -4.98 119.30 121.56 2jcc s MET 170 Ca 0.02 0.30 0.20 0.00 -1.71 0.00 0.00 55.69 54.49 2jcc s MET 170 Cb -0.15 -3.57 1.15 0.00 2.01 0.00 0.00 34.83 34.27 2jcc s MET 170 CO -0.09 -0.14 1.86 1.57 -0.01 0.00 0.00 175.02 178.21 2jcc h LYS 171 N 7.54 0.33 0.00 2.03 2.10 -1.99 -3.26 116.57 123.32 2jcc h LYS 171 Ca -0.34 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2jcc h LYS 171 Cb 1.16 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2jcc h LYS 171 CO 0.72 0.22 0.00 0.00 -2.00 0.00 0.00 179.45 178.39 2jcc n ALA 172 N -2.55 0.00 -3.61 0.07 0.00 -1.26 -4.61 120.51 108.56 2jcc n ALA 172 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 2jcc n ALA 172 Cb 0.73 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 2jcc n ALA 172 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jcc s MET 173 N -2.48 0.29 0.00 0.00 -1.94 -1.23 -5.05 119.30 108.88 2jcc s MET 173 Ca 0.00 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2jcc s MET 173 Cb 0.00 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.94 2jcc s MET 173 CO 0.00 -0.07 0.00 -0.25 -0.01 0.00 0.00 175.02 174.69 2jcc n ASP 174 N 3.73 0.00 -3.10 3.03 8.00 -1.26 -4.77 116.55 122.18 2jcc n ASP 174 Ca -0.17 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.99 2jcc n ASP 174 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2jcc n ASP 174 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jcc n SER 175 N 0.05 6.00 -4.68 -2.24 7.64 -1.25 -5.02 113.62 114.12 2jcc n SER 175 Ca 0.00 -3.72 -0.42 0.00 1.01 0.00 0.00 58.87 55.74 2jcc n SER 175 Cb 0.00 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 2jcc n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jcc s LYS 176 N -3.88 4.15 -0.19 1.43 -0.14 -1.26 -3.64 119.74 116.22 2jcc s LYS 176 Ca 0.46 2.51 -0.02 0.00 -1.36 0.00 0.00 55.97 57.56 2jcc s LYS 176 Cb 0.29 -3.85 0.05 0.00 -1.68 0.00 0.00 37.83 32.65 2jcc s LYS 176 CO -0.19 -0.87 0.01 0.45 -0.76 0.00 0.00 175.35 173.99 2jcc s SER 177 N 3.36 2.94 0.21 2.83 0.15 -0.26 -4.98 113.70 117.95 2jcc s SER 177 Ca 0.82 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 2jcc s SER 177 Cb -0.42 -0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 63.08 2jcc s SER 177 CO 0.37 -0.27 1.18 0.20 1.20 0.00 0.00 173.24 175.92 2jcc s ASN 178 N 1.76 7.11 -0.03 5.45 0.01 -1.26 -1.09 114.94 126.88 2jcc s ASN 178 Ca -0.01 2.25 -0.07 0.00 -0.71 0.00 0.00 52.86 54.32 2jcc s ASN 178 Cb -0.17 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.89 2jcc s ASN 178 CO -0.07 -0.33 0.17 -0.83 -1.51 0.00 0.00 177.10 174.52 2jcc s GLY 179 N -0.08 -0.06 0.02 0.66 0.00 0.94 -1.42 107.32 107.39 2jcc s GLY 179 Ca 0.51 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.46 2jcc s GLY 179 CO 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 173.10 173.52 2jcc s ALA 180 N -0.65 0.47 0.07 3.20 0.00 0.18 -0.35 121.76 124.67 2jcc s ALA 180 Ca -0.07 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.42 2jcc s ALA 180 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2jcc s ALA 180 CO 0.01 0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.97 2jcc s ILE 181 N -0.94 1.87 0.01 0.00 1.01 -1.26 -0.94 121.20 120.95 2jcc s ILE 181 Ca -0.06 -1.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.13 2jcc s ILE 181 Cb -0.07 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2jcc s ILE 181 CO 0.00 0.16 0.08 0.00 0.00 0.00 0.00 174.94 175.18 2jcc s ALA 182 N -0.93 -0.14 0.39 9.38 0.00 -0.31 -1.24 121.76 128.90 2jcc s ALA 182 Ca 0.09 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2jcc s ALA 182 Cb -0.10 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.22 2jcc s ALA 182 CO 0.03 -0.22 0.73 1.67 0.00 0.00 0.00 175.76 177.97 2jcc s TRP 183 N -1.65 0.36 0.11 0.00 -2.14 -0.39 -1.73 118.94 113.50 2jcc s TRP 183 Ca -0.13 -0.95 -0.18 0.00 2.66 0.00 0.00 56.10 57.49 2jcc s TRP 183 Cb -0.07 0.64 0.06 0.00 -3.10 0.00 0.00 33.47 31.01 2jcc s TRP 183 CO -0.00 -1.51 0.87 0.45 -2.66 0.00 0.00 176.95 174.10 2jcc n SER 184 N -1.50 -1.27 -0.01 -2.66 2.88 -1.26 -0.29 113.62 109.51 2jcc n SER 184 Ca -0.07 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 2jcc n SER 184 Cb 0.60 2.05 0.00 0.00 -0.75 0.00 0.00 64.21 66.11 2jcc n SER 184 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2jcc n ASN 185 N -1.08 1.18 -4.72 -3.46 6.94 -1.14 -4.91 115.26 108.07 2jcc n ASN 185 Ca -0.00 -1.62 -0.42 0.00 -0.02 0.00 0.00 54.58 52.52 2jcc n ASN 185 Cb 0.46 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.84 2jcc n ASN 185 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2jcc s GLN 186 N -0.62 4.28 0.00 -3.83 -1.52 -1.26 -4.94 119.66 111.77 2jcc s GLN 186 Ca 0.01 2.18 0.00 0.00 -1.95 0.00 0.00 55.36 55.59 2jcc s GLN 186 Cb 0.00 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 2jcc s GLN 186 CO 0.00 -0.50 0.89 2.41 -0.25 0.00 0.00 175.29 177.84 2jcc n THR 187 N 3.98 0.00 -3.32 -0.19 -1.04 -1.26 -4.30 114.28 108.15 2jcc n THR 187 Ca 0.12 1.34 -0.17 0.00 -2.04 0.00 0.00 64.05 63.31 2jcc n THR 187 Cb 0.41 -1.79 -0.07 0.00 -1.82 0.00 0.00 70.33 67.06 2jcc n THR 187 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jcc s SER 188 N -3.00 0.95 -0.10 8.00 0.01 -1.26 -5.10 113.70 113.21 2jcc s SER 188 Ca 0.00 -1.74 -0.04 0.00 1.31 0.00 0.00 55.95 55.48 2jcc s SER 188 Cb 0.00 0.58 0.05 0.00 0.21 0.00 0.00 66.02 66.86 2jcc s SER 188 CO 0.00 -0.23 0.19 -0.36 0.41 0.00 0.00 173.24 173.24 2jcc s PHE 189 N 1.24 -0.24 0.53 2.43 0.08 -1.26 -5.18 117.98 115.59 2jcc s PHE 189 Ca 0.19 0.69 -0.05 0.00 0.12 0.00 0.00 56.93 57.88 2jcc s PHE 189 Cb -0.12 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 2jcc s PHE 189 CO -0.04 -0.30 0.83 0.95 -0.10 0.00 0.00 175.22 176.56 2jcc s THR 190 N 2.32 4.23 0.10 0.64 -4.23 -1.26 -4.99 115.64 112.45 2jcc s THR 190 Ca 0.03 0.05 0.33 0.00 -1.18 0.00 0.00 61.69 60.91 2jcc s THR 190 Cb -0.12 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.43 2jcc s THR 190 CO -0.07 -0.62 1.99 0.00 -0.54 0.00 0.00 174.62 175.38 2jcc n GLN 192 N -2.74 0.07 0.00 0.00 6.02 -1.26 -3.26 117.38 116.21 2jcc n GLN 192 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2jcc n GLN 192 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2jcc n GLN 192 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jcc n ASP 193 N -1.36 0.11 0.04 1.08 8.00 -1.20 -4.91 116.55 118.31 2jcc n ASP 193 Ca 0.03 -0.49 -0.20 0.00 0.71 0.00 0.00 54.79 54.84 2jcc n ASP 193 Cb 0.07 0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.21 2jcc n ASP 193 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2jcc h ILE 194 N 0.30 1.36 -0.27 0.53 3.07 -1.69 -3.26 117.51 117.55 2jcc h ILE 194 Ca 0.00 -2.27 -0.17 0.00 1.55 0.00 0.00 64.86 63.97 2jcc h ILE 194 Cb 0.15 2.64 -0.08 0.00 -0.27 0.00 0.00 36.82 39.26 2jcc h ILE 194 CO 0.00 0.68 0.22 0.49 -1.05 0.00 0.00 178.15 178.49 2jcc n PHE 195 N -4.01 0.85 -3.83 0.16 3.01 -1.26 -4.89 117.46 107.50 2jcc n PHE 195 Ca -0.12 -1.37 -0.33 0.00 1.01 0.00 0.00 57.45 56.64 2jcc n PHE 195 Cb 0.82 -0.68 -0.05 0.00 -0.01 0.00 0.00 39.48 39.57 2jcc n PHE 195 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2jcc s LYS 196 N -0.99 3.51 0.00 -1.08 2.20 -1.23 -4.81 119.74 117.34 2jcc s LYS 196 Ca 0.17 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2jcc s LYS 196 Cb 0.13 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2jcc s LYS 196 CO 0.01 0.61 0.00 -0.85 -0.36 0.00 0.00 175.35 174.76 2jcc n GLU 197 N 0.63 0.00 0.00 4.03 0.28 -1.26 -4.66 120.64 119.66 2jcc n GLU 197 Ca -0.08 0.40 0.02 0.00 -0.16 0.00 0.00 57.16 57.34 2jcc n GLU 197 Cb 0.52 -1.21 0.09 0.00 1.43 0.00 0.00 31.44 32.28 2jcc n GLU 197 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38