#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2p s ILE 2 N 0.00 0.97 -0.50 1.96 -4.36 -1.26 -5.03 121.20 112.98 2q2p s ILE 2 Ca 0.00 -1.62 0.15 0.00 -0.26 0.00 0.00 60.65 58.91 2q2p s ILE 2 Cb 0.00 -1.35 0.15 0.00 1.25 0.00 0.00 42.46 42.51 2q2p s ILE 2 CO 0.00 -0.53 1.45 1.33 0.24 0.00 0.00 174.94 177.42 2q2p n VAL 3 N 0.60 1.33 0.06 8.37 0.24 -1.26 -1.14 118.33 126.53 2q2p n VAL 3 Ca -0.16 0.62 0.04 0.00 -2.04 0.00 0.00 64.34 62.79 2q2p n VAL 3 Cb 0.57 -1.61 -0.05 0.00 -1.47 0.00 0.00 33.84 31.28 2q2p n VAL 3 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2q2p n THR 4 N -1.99 0.98 0.65 3.34 -2.24 -1.26 -3.85 114.28 109.91 2q2p n THR 4 Ca -0.01 -0.64 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2q2p n THR 4 Cb 0.04 -0.59 0.40 0.00 -2.10 0.00 0.00 70.33 68.08 2q2p n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q2p n GLN 5 N -2.81 0.25 -2.13 -0.78 6.02 -0.29 -4.82 117.38 112.82 2q2p n GLN 5 Ca -0.06 0.20 -0.28 0.00 -0.01 0.00 0.00 57.00 56.85 2q2p n GLN 5 Cb 0.74 -1.78 0.15 0.00 1.02 0.00 0.00 30.24 30.36 2q2p n GLN 5 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2q2p s THR 6 N -3.10 2.06 0.40 5.09 -4.23 -1.20 -4.71 115.64 109.96 2q2p s THR 6 Ca 0.11 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 2q2p s THR 6 Cb 0.13 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 2q2p s THR 6 CO 0.60 0.00 0.77 -0.32 -0.54 0.00 0.00 174.62 175.13 2q2p s MET 7 N -5.61 3.78 -0.10 3.99 1.75 -0.91 -4.93 119.30 117.28 2q2p s MET 7 Ca 0.70 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 55.65 2q2p s MET 7 Cb -0.05 -2.39 -0.00 0.00 2.84 0.00 0.00 34.83 35.23 2q2p s MET 7 CO 0.50 -0.03 -0.24 -1.59 -0.65 0.00 0.00 175.02 173.00 2q2p s LYS 8 N -3.83 3.01 -0.14 4.11 0.00 -1.26 -4.66 119.74 116.97 2q2p s LYS 8 Ca 0.51 -0.88 -0.00 0.00 0.00 0.00 0.00 55.97 55.60 2q2p s LYS 8 Cb -0.10 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.44 2q2p s LYS 8 CO 0.31 0.20 0.02 0.41 0.00 0.00 0.00 175.35 176.29 2q2p n GLY 9 N 3.47 0.41 3.73 0.59 0.00 -1.26 -5.00 105.19 107.12 2q2p n GLY 9 Ca -0.19 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 2q2p n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q2p s LEU 10 N -0.70 4.40 -0.55 0.99 2.96 -1.26 -5.00 118.68 119.53 2q2p s LEU 10 Ca 0.01 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.14 2q2p s LEU 10 Cb -0.00 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.23 2q2p s LEU 10 CO 0.01 -0.51 0.38 -0.62 -1.32 0.00 0.00 176.35 174.28 2q2p s ASP 11 N 0.62 5.44 0.55 3.68 -1.08 -1.26 -4.94 116.67 119.68 2q2p s ASP 11 Ca 0.58 -2.42 0.27 0.00 -0.52 0.00 0.00 52.55 50.46 2q2p s ASP 11 Cb -0.34 -1.90 1.47 0.00 -1.46 0.00 0.00 42.92 40.68 2q2p s ASP 11 CO 0.34 -0.50 2.00 -0.29 0.52 0.00 0.00 175.17 177.25 2q2p h ILE 12 N 5.73 0.61 0.00 4.11 6.09 -1.95 -0.89 117.51 131.20 2q2p h ILE 12 Ca -0.08 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 2q2p h ILE 12 Cb 1.01 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.04 2q2p h ILE 12 CO 0.74 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.82 2q2p n GLN 13 N -4.13 0.20 0.00 2.19 1.13 -1.26 -2.61 117.38 112.90 2q2p n GLN 13 Ca 0.07 0.34 0.12 0.00 -1.94 0.00 0.00 57.00 55.59 2q2p n GLN 13 Cb 0.55 -1.82 0.16 0.00 0.11 0.00 0.00 30.24 29.24 2q2p n GLN 13 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2q2p n LYS 14 N -2.19 0.59 0.00 -1.09 5.02 -0.34 -3.90 118.16 116.26 2q2p n LYS 14 Ca 0.03 -0.42 0.14 0.00 -2.02 0.00 0.00 58.31 56.04 2q2p n LYS 14 Cb 0.29 -1.49 0.49 0.00 -0.02 0.00 0.00 35.03 34.30 2q2p n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2q2p n VAL 15 N -0.84 0.00 -0.64 -0.18 0.24 -1.07 -4.84 118.33 111.00 2q2p n VAL 15 Ca 0.08 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 2q2p n VAL 15 Cb 0.37 0.38 0.19 0.00 -1.47 0.00 0.00 33.84 33.31 2q2p n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2q2p n ALA 16 N -0.26 -3.54 0.00 2.33 0.00 -1.25 -4.71 120.51 113.08 2q2p n ALA 16 Ca 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2q2p n ALA 16 Cb 0.34 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2q2p n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q2p n GLY 17 N 1.65 -2.13 3.92 0.00 0.00 -0.72 -4.90 105.19 103.01 2q2p n GLY 17 Ca 0.02 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 2q2p n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q2p s THR 18 N -0.36 5.26 0.07 2.61 -4.23 -1.26 -1.47 115.64 116.26 2q2p s THR 18 Ca 0.00 -0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2q2p s THR 18 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2q2p s THR 18 CO 0.00 0.01 -0.03 0.26 -0.54 0.00 0.00 174.62 174.31 2q2p s TRP 19 N -1.67 0.68 -0.06 3.99 0.52 -0.86 -4.73 118.94 116.81 2q2p s TRP 19 Ca 0.38 -1.03 0.04 0.00 0.02 0.00 0.00 56.10 55.51 2q2p s TRP 19 Cb -0.12 -0.45 -0.00 0.00 -1.15 0.00 0.00 33.47 31.75 2q2p s TRP 19 CO 0.27 -0.32 -0.19 0.71 0.02 0.00 0.00 176.95 177.45 2q2p s TYR 20 N -3.83 1.91 -0.17 -1.98 2.02 -0.38 -4.16 117.35 110.77 2q2p s TYR 20 Ca 0.10 -0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 2q2p s TYR 20 Cb 0.07 -1.29 -0.00 0.00 -0.40 0.00 0.00 41.96 40.33 2q2p s TYR 20 CO -0.07 -0.23 1.09 -1.12 -1.57 0.00 0.00 175.55 173.65 2q2p s SER 21 N 0.14 7.11 -0.20 2.29 0.01 -1.26 -1.22 113.70 120.57 2q2p s SER 21 Ca -0.08 1.52 -0.02 0.00 1.31 0.00 0.00 55.95 58.68 2q2p s SER 21 Cb -0.13 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.43 2q2p s SER 21 CO 0.04 -0.62 -0.21 -0.11 0.41 0.00 0.00 173.24 172.75 2q2p n LEU 22 N 5.91 2.49 -4.02 2.44 7.94 0.83 -4.85 117.00 127.73 2q2p n LEU 22 Ca 0.11 0.01 -0.08 0.00 -1.11 0.00 0.00 56.01 54.94 2q2p n LEU 22 Cb 0.47 -0.67 -0.11 0.00 0.53 0.00 0.00 43.42 43.64 2q2p n LEU 22 CO 0.53 0.70 -0.36 0.00 -1.11 0.00 0.00 177.39 177.16 2q2p s ALA 23 N -2.39 0.26 0.01 1.96 0.00 -1.21 -0.79 121.76 119.61 2q2p s ALA 23 Ca -0.27 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2q2p s ALA 23 Cb 0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2q2p s ALA 23 CO 0.43 -0.24 -0.08 -1.64 0.00 0.00 0.00 175.76 174.23 2q2p s MET 24 N -2.41 0.58 0.02 0.00 -1.94 0.13 -1.59 119.30 114.09 2q2p s MET 24 Ca -0.07 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.44 2q2p s MET 24 Cb -0.03 -0.51 -0.02 0.00 2.01 0.00 0.00 34.83 36.28 2q2p s MET 24 CO -0.04 0.13 0.00 0.00 -0.01 0.00 0.00 175.02 175.09 2q2p s ALA 25 N -0.59 0.10 0.02 3.03 0.00 -0.98 0.24 121.76 123.58 2q2p s ALA 25 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 2q2p s ALA 25 Cb -0.05 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2q2p s ALA 25 CO 0.00 -0.20 0.19 0.00 0.00 0.00 0.00 175.76 175.75 2q2p s ALA 26 N -1.82 -0.40 -0.21 0.00 0.00 -0.23 -1.63 121.76 117.47 2q2p s ALA 26 Ca -0.12 -0.17 0.22 0.00 0.00 0.00 0.00 51.96 51.89 2q2p s ALA 26 Cb -0.07 0.21 0.48 0.00 0.00 0.00 0.00 23.12 23.74 2q2p s ALA 26 CO -0.02 -0.31 1.65 0.66 0.00 0.00 0.00 175.76 177.74 2q2p h SER 27 N 3.73 0.00 -3.30 0.00 4.64 -1.58 0.33 113.55 117.37 2q2p h SER 27 Ca -0.31 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.59 2q2p h SER 27 Cb 1.19 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.90 2q2p h SER 27 CO 0.45 0.17 -0.76 -0.62 -0.87 0.00 0.00 176.83 175.20 2q2p s ASP 28 N -6.21 1.36 0.17 4.97 -1.08 -1.26 -3.99 116.67 110.63 2q2p s ASP 28 Ca 0.05 -0.05 -0.19 0.00 -0.52 0.00 0.00 52.55 51.84 2q2p s ASP 28 Cb 0.07 -0.36 0.10 0.00 -1.46 0.00 0.00 42.92 41.27 2q2p s ASP 28 CO 0.67 -0.19 1.26 -0.38 0.52 0.00 0.00 175.17 177.05 2q2p n ILE 29 N 5.05 -0.48 -0.32 4.11 5.41 -1.26 -0.41 119.36 131.46 2q2p n ILE 29 Ca -0.09 1.94 0.14 0.00 1.00 0.00 0.00 62.75 65.75 2q2p n ILE 29 Cb 0.50 -2.50 0.29 0.00 -0.71 0.00 0.00 39.64 37.23 2q2p n ILE 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2q2p h SER 30 N 0.00 -0.33 0.00 4.38 4.64 -1.98 -0.08 113.55 120.18 2q2p h SER 30 Ca 0.22 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2q2p h SER 30 Cb 0.43 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2q2p h SER 30 CO -0.79 -0.30 0.36 0.18 -0.87 0.00 0.00 176.83 175.40 2q2p n LEU 31 N -5.41 0.26 -0.03 5.97 4.77 0.45 -1.56 117.00 121.46 2q2p n LEU 31 Ca 0.23 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2q2p n LEU 31 Cb 0.74 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2q2p n LEU 31 CO -0.03 -0.58 0.17 0.18 -1.33 0.00 0.00 177.39 175.81 2q2p n LEU 32 N -1.94 0.00 0.00 2.23 4.77 -0.19 -4.22 117.00 117.66 2q2p n LEU 32 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2q2p n LEU 32 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2q2p n LEU 32 CO 0.04 0.18 0.00 -0.67 -1.33 0.00 0.00 177.39 175.62 2q2p n ASP 33 N 0.00 0.00 -0.87 -1.43 -0.08 -0.36 -4.71 116.55 109.11 2q2p n ASP 33 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2q2p n ASP 33 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2q2p n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q2p n ALA 34 N -2.51 0.00 0.43 -1.67 0.00 -1.26 -4.76 120.51 110.74 2q2p n ALA 34 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2q2p n ALA 34 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 2q2p n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2q2p n GLN 35 N 0.00 0.08 0.00 0.00 6.02 -1.26 -4.02 117.38 118.20 2q2p n GLN 35 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2q2p n GLN 35 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 2q2p n GLN 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2q2p n SER 36 N -1.38 0.00 -0.14 1.08 7.64 -1.26 -4.69 113.62 114.86 2q2p n SER 36 Ca 0.04 0.12 -0.02 0.00 1.01 0.00 0.00 58.87 60.02 2q2p n SER 36 Cb 0.10 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2q2p n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2q2p n ALA 37 N -2.51 -0.86 0.90 -0.43 0.00 -1.26 -4.78 120.51 111.57 2q2p n ALA 37 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2q2p n ALA 37 Cb 0.00 -0.05 0.45 0.00 0.00 0.00 0.00 19.45 19.85 2q2p n ALA 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2q2p n PRO 38 N 0.04 0.36 -0.18 0.00 -0.04 -1.26 -1.32 135.00 132.60 2q2p n PRO 38 Ca 0.01 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2q2p n PRO 38 Cb 0.01 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.11 2q2p n PRO 38 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2q2p n LEU 39 N -1.17 2.88 -3.75 1.53 4.77 -1.26 -4.72 117.00 115.27 2q2p n LEU 39 Ca 0.10 -2.21 -0.42 0.00 -0.03 0.00 0.00 56.01 53.45 2q2p n LEU 39 Cb 0.10 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2q2p n LEU 39 CO 0.11 0.68 1.58 -1.14 -1.33 0.00 0.00 177.39 177.29 2q2p n ARG 40 N 0.07 4.79 -3.92 3.23 3.00 -0.43 -4.96 116.66 118.44 2q2p n ARG 40 Ca 0.11 -4.28 -0.22 0.00 -0.00 0.00 0.00 57.85 53.46 2q2p n ARG 40 Cb 0.48 -2.57 -0.05 0.00 0.00 0.00 0.00 32.46 30.32 2q2p n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2q2p s VAL 41 N -2.73 2.96 -0.15 5.15 -7.23 -1.26 -4.63 120.40 112.51 2q2p s VAL 41 Ca 0.39 -1.54 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2q2p s VAL 41 Cb 0.13 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 34.08 2q2p s VAL 41 CO -0.03 -0.11 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.27 2q2p s TYR 42 N -2.43 1.62 -0.00 2.82 2.02 -0.74 -4.96 117.35 115.67 2q2p s TYR 42 Ca 0.41 -0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 2q2p s TYR 42 Cb -0.02 -1.29 -0.06 0.00 -0.40 0.00 0.00 41.96 40.19 2q2p s TYR 42 CO 0.25 -0.58 1.52 0.08 -1.57 0.00 0.00 175.55 175.25 2q2p s VAL 43 N 1.66 3.53 -0.27 0.71 1.01 -1.26 -2.19 120.40 123.59 2q2p s VAL 43 Ca 0.02 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2q2p s VAL 43 Cb -0.14 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 2q2p s VAL 43 CO -0.08 -0.02 -0.27 1.21 0.00 0.00 0.00 175.10 175.94 2q2p n GLU 44 N 5.93 0.62 -3.78 2.72 2.13 0.56 -4.01 120.64 124.80 2q2p n GLU 44 Ca 0.15 0.22 -0.13 0.00 0.66 0.00 0.00 57.16 58.06 2q2p n GLU 44 Cb 0.43 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 30.54 2q2p n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2q2p s GLU 45 N -2.51 0.68 -0.15 5.31 2.12 -0.83 -2.03 118.70 121.29 2q2p s GLU 45 Ca -0.37 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.66 2q2p s GLU 45 Cb 0.12 0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.83 2q2p s GLU 45 CO 0.55 -0.19 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.42 2q2p s LEU 46 N -1.53 1.68 -0.27 2.70 1.43 -0.54 0.23 118.68 122.39 2q2p s LEU 46 Ca -0.11 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2q2p s LEU 46 Cb -0.04 -1.17 0.08 0.00 0.03 0.00 0.00 46.19 45.08 2q2p s LEU 46 CO 0.02 -0.05 0.03 -1.59 0.23 0.00 0.00 176.35 174.99 2q2p s LYS 47 N 1.45 1.08 0.47 1.70 -2.85 -0.23 -1.75 119.74 119.61 2q2p s LYS 47 Ca 0.04 -1.01 -0.22 0.00 -1.00 0.00 0.00 55.97 53.78 2q2p s LYS 47 Cb -0.13 -2.35 -0.07 0.00 -2.06 0.00 0.00 37.83 33.22 2q2p s LYS 47 CO -0.10 -0.78 1.13 -2.14 0.10 0.00 0.00 175.35 173.56 2q2p s PRO 48 N 1.51 3.73 0.18 1.78 0.02 -1.26 -1.95 135.00 139.00 2q2p s PRO 48 Ca 0.03 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.74 2q2p s PRO 48 Cb -0.18 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 2q2p s PRO 48 CO -0.14 -0.55 0.32 0.95 -0.33 0.00 0.00 177.00 177.26 2q2p s THR 49 N -1.64 5.29 0.38 0.99 -4.23 -0.81 -4.91 115.64 110.70 2q2p s THR 49 Ca 0.65 -0.65 0.13 0.00 -1.18 0.00 0.00 61.69 60.65 2q2p s THR 49 Cb -0.26 -3.76 0.35 0.00 1.34 0.00 0.00 72.50 70.18 2q2p s THR 49 CO 0.31 -0.15 1.83 -0.65 -0.54 0.00 0.00 174.62 175.42 2q2p h PRO 50 N 1.95 0.53 0.00 3.99 0.11 -1.96 -0.27 132.00 136.35 2q2p h PRO 50 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2q2p h PRO 50 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2q2p h PRO 50 CO 0.67 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.96 2q2p n GLU 51 N -4.58 0.84 -0.38 1.05 0.00 -1.26 -4.85 120.64 111.45 2q2p n GLU 51 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2q2p n GLU 51 Cb 0.64 -1.07 0.00 0.00 0.00 0.00 0.00 31.44 31.02 2q2p n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2q2p n GLY 52 N 0.39 0.71 3.94 -1.84 0.00 -0.11 -4.99 105.19 103.29 2q2p n GLY 52 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2q2p n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q2p s ASP 53 N -2.99 3.21 -0.18 1.61 1.01 -1.25 -4.64 116.67 113.43 2q2p s ASP 53 Ca 0.00 0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 2q2p s ASP 53 Cb 0.00 -0.18 0.05 0.00 1.01 0.00 0.00 42.92 43.80 2q2p s ASP 53 CO 0.00 -2.66 -0.04 -0.22 0.21 0.00 0.00 175.17 172.47 2q2p s LEU 54 N -5.80 1.72 -0.17 1.23 2.96 0.20 -1.93 118.68 116.90 2q2p s LEU 54 Ca 0.74 -0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 2q2p s LEU 54 Cb -0.03 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 2q2p s LEU 54 CO 0.52 -0.22 0.44 -0.70 -1.32 0.00 0.00 176.35 175.07 2q2p s GLU 55 N 1.63 4.24 -0.15 1.98 2.12 -0.82 0.94 118.70 128.64 2q2p s GLU 55 Ca -0.01 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.65 2q2p s GLU 55 Cb -0.16 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2q2p s GLU 55 CO -0.07 0.02 -0.21 0.42 -0.54 0.00 0.00 175.26 174.88 2q2p s ILE 56 N 1.09 2.14 -0.42 -3.70 1.01 -0.44 -1.07 121.20 119.81 2q2p s ILE 56 Ca 0.22 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 2q2p s ILE 56 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2q2p s ILE 56 CO 0.09 0.54 0.44 -0.76 0.00 0.00 0.00 174.94 175.25 2q2p s LEU 57 N 0.87 4.88 0.51 2.97 1.43 0.14 -2.60 118.68 126.87 2q2p s LEU 57 Ca -0.06 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 2q2p s LEU 57 Cb -0.15 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.71 2q2p s LEU 57 CO -0.03 -0.59 0.45 -0.76 0.23 0.00 0.00 176.35 175.65 2q2p s LEU 58 N 2.14 2.97 -0.11 1.79 1.43 -0.43 -0.33 118.68 126.15 2q2p s LEU 58 Ca 0.12 -1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 2q2p s LEU 58 Cb -0.17 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.57 2q2p s LEU 58 CO 0.13 -0.99 0.27 0.00 0.23 0.00 0.00 176.35 175.99 2q2p s GLN 59 N -4.28 0.27 0.42 1.70 -2.07 -0.93 -2.19 119.66 112.57 2q2p s GLN 59 Ca 0.42 0.47 0.04 0.00 -1.82 0.00 0.00 55.36 54.47 2q2p s GLN 59 Cb -0.03 0.03 -0.05 0.00 -1.09 0.00 0.00 33.01 31.87 2q2p s GLN 59 CO 0.26 -0.10 0.05 0.21 -1.32 0.00 0.00 175.29 174.39 2q2p s LYS 60 N 0.69 1.94 -0.35 9.60 2.36 0.18 -1.80 119.74 132.36 2q2p s LYS 60 Ca -0.05 -2.15 -0.14 0.00 -2.55 0.00 0.00 55.97 51.08 2q2p s LYS 60 Cb -0.06 -1.18 -0.01 0.00 -1.05 0.00 0.00 37.83 35.53 2q2p s LYS 60 CO -0.04 -0.26 0.27 1.67 1.55 0.00 0.00 175.35 178.53 2q2p s TRP 61 N -3.02 3.23 -0.21 4.03 -2.14 -1.26 -1.11 118.94 118.46 2q2p s TRP 61 Ca 0.25 -0.25 -0.04 0.00 2.66 0.00 0.00 56.10 58.72 2q2p s TRP 61 Cb 0.06 -2.53 0.07 0.00 -3.10 0.00 0.00 33.47 27.97 2q2p s TRP 61 CO 0.12 -0.41 0.08 -2.00 -2.66 0.00 0.00 176.95 172.08 2q2p s GLU 62 N 1.76 0.30 -1.30 3.25 2.12 0.99 -4.90 118.70 120.92 2q2p s GLU 62 Ca 0.07 -0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 2q2p s GLU 62 Cb -0.18 -1.81 0.01 0.00 0.26 0.00 0.00 34.13 32.41 2q2p s GLU 62 CO 0.11 -0.74 1.13 0.09 -0.54 0.00 0.00 175.26 175.31 2q2p n ASN 63 N 5.18 -5.89 0.00 -1.70 3.02 -1.26 -1.74 115.26 112.88 2q2p n ASN 63 Ca -0.07 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2q2p n ASN 63 Cb 0.47 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 2q2p n ASN 63 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2q2p n ASP 64 N -2.88 -3.57 -4.62 6.41 5.68 -1.26 -5.02 116.55 111.30 2q2p n ASP 64 Ca -0.02 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.00 2q2p n ASP 64 Cb 0.57 -1.09 -0.11 0.00 -1.14 0.00 0.00 41.12 39.35 2q2p n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2q2p s GLU 65 N -0.40 1.96 -0.75 0.11 -1.05 -0.71 -5.09 118.70 112.77 2q2p s GLU 65 Ca 0.00 -2.10 -0.07 0.00 -0.15 0.00 0.00 54.97 52.65 2q2p s GLU 65 Cb 0.00 -1.65 0.19 0.00 -0.44 0.00 0.00 34.13 32.24 2q2p s GLU 65 CO 0.00 -0.04 0.62 0.00 0.95 0.00 0.00 175.26 176.79 2q2p s ALA 67 N -0.20 3.39 -0.20 0.00 0.00 -0.27 -4.77 121.76 119.71 2q2p s ALA 67 Ca 0.19 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 2q2p s ALA 67 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2q2p s ALA 67 CO -0.06 -0.19 0.30 -0.65 0.00 0.00 0.00 175.76 175.15 2q2p s GLN 68 N -0.73 4.16 -0.03 0.00 -1.52 -1.26 0.51 119.66 120.79 2q2p s GLN 68 Ca 0.48 0.03 0.04 0.00 -1.95 0.00 0.00 55.36 53.95 2q2p s GLN 68 Cb -0.30 -3.51 -0.00 0.00 -0.22 0.00 0.00 33.01 28.97 2q2p s GLN 68 CO 0.37 0.06 -0.14 0.15 -0.25 0.00 0.00 175.29 175.47 2q2p s LYS 69 N 1.04 1.43 -0.20 2.91 1.02 -0.93 -4.98 119.74 120.03 2q2p s LYS 69 Ca 0.15 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.64 2q2p s LYS 69 Cb -0.14 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 2q2p s LYS 69 CO 0.06 0.22 -0.15 0.21 -0.92 0.00 0.00 175.35 174.76 2q2p s LYS 70 N 0.03 3.01 0.07 1.68 2.20 -1.26 -1.32 119.74 124.14 2q2p s LYS 70 Ca -0.02 -0.83 0.07 0.00 -0.36 0.00 0.00 55.97 54.83 2q2p s LYS 70 Cb -0.10 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2q2p s LYS 70 CO 0.01 -0.24 -0.20 0.96 -0.36 0.00 0.00 175.35 175.52 2q2p s ILE 71 N 1.32 1.59 -0.10 5.43 -5.25 -1.07 -4.99 121.20 118.13 2q2p s ILE 71 Ca 0.04 -1.33 -0.01 0.00 -0.99 0.00 0.00 60.65 58.36 2q2p s ILE 71 Cb -0.14 -1.43 -0.03 0.00 2.95 0.00 0.00 42.46 43.82 2q2p s ILE 71 CO -0.10 0.04 -0.07 -0.63 -1.79 0.00 0.00 174.94 172.39 2q2p s ILE 72 N -0.99 3.63 -0.25 8.37 1.01 -1.26 -1.33 121.20 130.38 2q2p s ILE 72 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2q2p s ILE 72 Cb -0.09 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 2q2p s ILE 72 CO 0.03 0.55 0.09 0.00 0.00 0.00 0.00 174.94 175.61 2q2p s ALA 73 N -0.26 3.24 0.29 9.38 0.00 0.27 -4.38 121.76 130.30 2q2p s ALA 73 Ca 0.03 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 2q2p s ALA 73 Cb -0.13 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.76 2q2p s ALA 73 CO 0.03 -0.46 0.88 -1.21 0.00 0.00 0.00 175.76 175.00 2q2p s GLU 74 N 1.57 4.51 0.08 0.00 2.02 0.20 -0.62 118.70 126.46 2q2p s GLU 74 Ca 0.06 1.21 -0.31 0.00 0.02 0.00 0.00 54.97 55.95 2q2p s GLU 74 Cb -0.15 -2.85 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 2q2p s GLU 74 CO 0.05 0.33 1.45 0.21 0.02 0.00 0.00 175.26 177.32 2q2p s LYS 75 N -1.97 4.28 0.52 1.61 2.20 -1.26 -1.04 119.74 124.08 2q2p s LYS 75 Ca 0.47 2.12 0.08 0.00 -0.36 0.00 0.00 55.97 58.28 2q2p s LYS 75 Cb -0.19 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2q2p s LYS 75 CO 0.23 -0.54 0.56 0.95 -0.36 0.00 0.00 175.35 176.20 2q2p s THR 76 N 1.68 2.15 0.49 3.43 -4.23 -1.22 -4.92 115.64 113.02 2q2p s THR 76 Ca 0.66 -1.23 0.34 0.00 -1.18 0.00 0.00 61.69 60.28 2q2p s THR 76 Cb -0.37 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.46 2q2p s THR 76 CO 0.30 0.00 2.19 0.11 -0.54 0.00 0.00 174.62 176.68 2q2p h LYS 77 N 0.57 0.00 -5.41 3.99 1.79 -1.96 -3.41 116.57 112.15 2q2p h LYS 77 Ca -0.35 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.48 2q2p h LYS 77 Cb 1.29 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.76 2q2p h LYS 77 CO 0.50 0.04 -0.61 -1.50 -1.08 0.00 0.00 179.45 176.80 2q2p s ILE 78 N -4.21 4.40 0.38 1.86 2.07 -1.26 -5.09 121.20 119.35 2q2p s ILE 78 Ca -0.03 -0.18 -0.26 0.00 -1.41 0.00 0.00 60.65 58.76 2q2p s ILE 78 Cb 0.13 -2.94 -0.09 0.00 0.13 0.00 0.00 42.46 39.69 2q2p s ILE 78 CO 0.52 0.50 1.20 -2.16 -1.91 0.00 0.00 174.94 173.09 2q2p s PRO 79 N 0.13 4.15 0.00 3.50 0.04 -1.26 -3.12 135.00 138.44 2q2p s PRO 79 Ca 0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2q2p s PRO 79 Cb -0.13 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2q2p s PRO 79 CO 0.02 -0.26 0.00 0.00 0.04 0.00 0.00 177.00 176.79 2q2p n ALA 80 N 0.32 0.00 -3.84 8.56 0.00 -1.26 -4.72 120.51 119.56 2q2p n ALA 80 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 2q2p n ALA 80 Cb 0.45 -0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.72 2q2p n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2q2p s VAL 81 N -2.79 1.64 0.09 0.00 1.01 -1.18 -0.53 120.40 118.63 2q2p s VAL 81 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2q2p s VAL 81 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2q2p s VAL 81 CO 0.00 0.47 -0.20 -0.36 0.00 0.00 0.00 175.10 175.01 2q2p s PHE 82 N 1.20 1.72 -0.12 5.22 0.40 -0.11 -3.45 117.98 122.84 2q2p s PHE 82 Ca -0.01 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2q2p s PHE 82 Cb -0.14 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 2q2p s PHE 82 CO -0.06 0.17 -0.17 -1.59 0.70 0.00 0.00 175.22 174.27 2q2p s LYS 83 N -1.78 3.24 -0.82 0.44 0.00 -0.21 0.13 119.74 120.75 2q2p s LYS 83 Ca 0.06 -0.75 -0.18 0.00 0.00 0.00 0.00 55.97 55.10 2q2p s LYS 83 Cb -0.10 -2.52 0.15 0.00 0.00 0.00 0.00 37.83 35.36 2q2p s LYS 83 CO 0.04 0.22 0.92 0.42 0.00 0.00 0.00 175.35 176.95 2q2p s ILE 84 N 0.30 5.00 -0.92 3.79 1.01 0.31 0.59 121.20 131.27 2q2p s ILE 84 Ca -0.12 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.60 2q2p s ILE 84 Cb -0.16 -4.62 -0.12 0.00 0.01 0.00 0.00 42.46 37.56 2q2p s ILE 84 CO 0.06 -1.28 2.17 -0.62 0.00 0.00 0.00 174.94 175.27 2q2p s ASP 85 N 3.20 4.29 0.38 3.58 2.15 -1.26 -2.88 116.67 126.13 2q2p s ASP 85 Ca 0.23 -0.55 0.04 0.00 0.43 0.00 0.00 52.55 52.70 2q2p s ASP 85 Cb -0.11 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 2q2p s ASP 85 CO -0.05 -3.63 0.12 0.00 -0.17 0.00 0.00 175.17 171.44 2q2p s ALA 86 N 13.43 2.71 0.20 3.66 0.00 -1.26 -5.03 121.76 135.47 2q2p s ALA 86 Ca 0.81 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 2q2p s ALA 86 Cb -0.08 0.77 0.22 0.00 0.00 0.00 0.00 23.12 24.03 2q2p s ALA 86 CO 0.08 -0.35 1.80 -0.07 0.00 0.00 0.00 175.76 177.22 2q2p h LEU 87 N 1.90 0.50 -8.27 0.00 3.38 -2.05 -3.22 115.31 107.55 2q2p h LEU 87 Ca -0.36 0.03 -0.73 0.00 0.09 0.00 0.00 57.88 56.91 2q2p h LEU 87 Cb 1.27 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.71 2q2p h LEU 87 CO 0.59 0.33 -0.39 0.20 0.09 0.00 0.00 178.44 179.26 2q2p s ASN 88 N -5.57 5.97 0.23 -0.43 0.01 -1.26 -5.05 114.94 108.83 2q2p s ASN 88 Ca -0.13 -1.33 -0.30 0.00 -0.71 0.00 0.00 52.86 50.40 2q2p s ASN 88 Cb 0.16 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.61 2q2p s ASN 88 CO 0.75 -0.58 1.05 -1.83 -1.51 0.00 0.00 177.10 174.98 2q2p s GLU 89 N 1.58 4.69 0.05 -0.60 -1.05 -1.22 -4.94 118.70 117.21 2q2p s GLU 89 Ca 0.04 1.67 0.05 0.00 -0.15 0.00 0.00 54.97 56.58 2q2p s GLU 89 Cb -0.23 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2q2p s GLU 89 CO 0.06 0.26 -0.15 -0.80 0.95 0.00 0.00 175.26 175.58 2q2p s ASN 90 N -0.70 1.78 -0.16 0.83 -0.87 -1.14 -4.07 114.94 110.62 2q2p s ASN 90 Ca 0.45 -0.53 -0.01 0.00 -1.57 0.00 0.00 52.86 51.20 2q2p s ASN 90 Cb -0.29 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.25 40.84 2q2p s ASN 90 CO 0.36 0.00 -0.12 -0.54 -2.57 0.00 0.00 177.10 174.23 2q2p s LYS 91 N -1.40 3.31 -0.41 -0.60 1.02 -1.06 0.11 119.74 120.71 2q2p s LYS 91 Ca 0.01 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 55.12 2q2p s LYS 91 Cb -0.09 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2q2p s LYS 91 CO 0.02 0.06 0.47 0.08 -0.92 0.00 0.00 175.35 175.06 2q2p s VAL 92 N 0.74 5.04 -0.26 3.17 1.01 0.34 -2.09 120.40 128.36 2q2p s VAL 92 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2q2p s VAL 92 Cb -0.15 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2q2p s VAL 92 CO 0.01 -0.40 0.20 -0.76 0.00 0.00 0.00 175.10 174.16 2q2p s LEU 93 N 2.27 4.07 -0.27 3.92 2.01 0.14 -0.94 118.68 129.88 2q2p s LEU 93 Ca 0.14 0.10 -0.14 0.00 0.01 0.00 0.00 54.13 54.24 2q2p s LEU 93 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.84 2q2p s LEU 93 CO 0.14 -0.01 0.35 -0.69 1.01 0.00 0.00 176.35 177.16 2q2p s VAL 94 N 1.43 5.19 -0.14 -1.59 1.01 0.31 -0.41 120.40 126.20 2q2p s VAL 94 Ca 0.09 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 2q2p s VAL 94 Cb -0.15 -3.68 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 2q2p s VAL 94 CO 0.08 0.17 0.43 -0.07 0.00 0.00 0.00 175.10 175.71 2q2p h LEU 95 N 8.57 0.22 -7.00 3.92 3.38 -1.10 -2.40 115.31 120.90 2q2p h LEU 95 Ca -0.32 -0.76 0.03 0.00 0.09 0.00 0.00 57.88 56.92 2q2p h LEU 95 Cb 1.16 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.60 2q2p h LEU 95 CO 0.63 1.56 0.38 -0.62 0.09 0.00 0.00 178.44 180.48 2q2p s ASP 96 N -6.90 -0.51 -0.23 -0.43 2.15 -1.19 -3.34 116.67 106.20 2q2p s ASP 96 Ca -0.23 0.87 -0.25 0.00 0.43 0.00 0.00 52.55 53.37 2q2p s ASP 96 Cb 0.05 0.84 0.07 0.00 -0.30 0.00 0.00 42.92 43.58 2q2p s ASP 96 CO 0.70 -0.25 0.69 0.28 -0.17 0.00 0.00 175.17 176.42 2q2p s THR 97 N -0.15 0.00 -2.00 1.71 -1.32 -1.26 -0.89 115.64 111.72 2q2p s THR 97 Ca 0.00 -0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 2q2p s THR 97 Cb -0.04 -0.97 0.44 0.00 -1.51 0.00 0.00 72.50 70.42 2q2p s THR 97 CO -0.02 -0.00 1.37 -0.90 -2.21 0.00 0.00 174.62 172.86 2q2p n ASP 98 N 2.46 3.39 0.00 8.08 5.75 -1.17 -4.95 116.55 130.11 2q2p n ASP 98 Ca -0.15 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 2q2p n ASP 98 Cb 0.55 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2q2p n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2q2p n TYR 99 N 1.31 0.00 0.08 2.11 4.01 -1.25 -4.39 117.16 119.03 2q2p n TYR 99 Ca 0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.70 2q2p n TYR 99 Cb 0.56 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.44 2q2p n TYR 99 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2q2p h LYS 100 N 0.00 0.38 0.00 -0.72 1.79 -1.92 -3.45 116.57 112.65 2q2p h LYS 100 Ca 0.00 -0.66 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 2q2p h LYS 100 Cb 0.00 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2q2p h LYS 100 CO 0.00 1.31 -0.23 0.36 -1.08 0.00 0.00 179.45 179.82 2q2p n LYS 101 N -3.87 0.12 -4.51 3.15 -0.00 -1.26 -4.63 118.16 107.15 2q2p n LYS 101 Ca -0.19 0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 57.86 2q2p n LYS 101 Cb 0.97 -0.59 -0.06 0.00 -0.00 0.00 0.00 35.03 35.35 2q2p n LYS 101 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2q2p s TYR 102 N -1.58 1.84 -0.30 5.58 1.13 -1.26 -0.49 117.35 122.27 2q2p s TYR 102 Ca -0.07 -0.91 -0.11 0.00 -1.41 0.00 0.00 57.07 54.58 2q2p s TYR 102 Cb 0.01 -1.71 0.15 0.00 -1.10 0.00 0.00 41.96 39.31 2q2p s TYR 102 CO 0.10 0.05 0.76 -1.17 -2.51 0.00 0.00 175.55 172.78 2q2p s LEU 103 N -3.98 -0.98 -0.19 -3.49 0.20 -0.10 -3.07 118.68 107.08 2q2p s LEU 103 Ca 0.15 1.21 -0.05 0.00 0.69 0.00 0.00 54.13 56.13 2q2p s LEU 103 Cb 0.01 2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 47.80 2q2p s LEU 103 CO 0.09 -0.19 0.00 -0.76 -0.29 0.00 0.00 176.35 175.20 2q2p s LEU 104 N 2.76 3.33 0.07 -0.68 1.43 -0.07 -0.80 118.68 124.72 2q2p s LEU 104 Ca -0.02 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 2q2p s LEU 104 Cb -0.10 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2q2p s LEU 104 CO -0.18 0.10 0.09 0.72 0.23 0.00 0.00 176.35 177.31 2q2p s PHE 105 N 0.78 0.33 0.15 0.29 -0.71 -0.90 -0.54 117.98 117.38 2q2p s PHE 105 Ca 0.00 -0.81 0.04 0.00 -1.04 0.00 0.00 56.93 55.13 2q2p s PHE 105 Cb -0.14 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 2q2p s PHE 105 CO 0.02 -0.47 -0.09 0.00 -1.34 0.00 0.00 175.22 173.34 2q2p s MET 107 N -3.77 2.40 -0.06 0.00 -1.94 0.24 -0.68 119.30 115.48 2q2p s MET 107 Ca 0.17 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 2q2p s MET 107 Cb 0.03 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 2q2p s MET 107 CO 0.01 -0.02 -0.19 -2.00 -0.01 0.00 0.00 175.02 172.81 2q2p s GLU 108 N 0.87 2.62 -0.31 2.03 2.12 -0.89 -0.55 118.70 124.59 2q2p s GLU 108 Ca -0.08 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 2q2p s GLU 108 Cb -0.15 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2q2p s GLU 108 CO -0.00 0.48 0.16 -0.80 -0.54 0.00 0.00 175.26 174.55 2q2p s ASN 109 N -0.37 5.59 -0.14 -1.70 0.01 0.42 -2.57 114.94 116.17 2q2p s ASN 109 Ca 0.03 -0.47 -0.28 0.00 -0.71 0.00 0.00 52.86 51.43 2q2p s ASN 109 Cb -0.12 -2.01 -0.26 0.00 0.41 0.00 0.00 41.25 39.27 2q2p s ASN 109 CO 0.02 -0.18 0.73 0.77 -1.51 0.00 0.00 177.10 176.92 2q2p h SER 110 N 8.36 0.01 -0.90 -1.22 4.64 -1.87 -3.31 113.55 119.26 2q2p h SER 110 Ca -0.33 -0.96 0.25 0.00 -0.47 0.00 0.00 61.79 60.28 2q2p h SER 110 Cb 1.15 -0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 2q2p h SER 110 CO 0.61 1.05 0.19 0.00 -0.87 0.00 0.00 176.83 177.81 2q2p h ALA 111 N -0.04 1.26 -1.49 5.18 0.00 -1.94 -3.42 119.26 118.81 2q2p h ALA 111 Ca -0.03 0.25 -0.39 0.00 0.00 0.00 0.00 54.91 54.74 2q2p h ALA 111 Cb 1.04 0.38 0.20 0.00 0.00 0.00 0.00 17.79 19.41 2q2p h ALA 111 CO -0.01 -0.51 -1.12 0.39 0.00 0.00 0.00 179.25 177.99 2q2p n GLU 112 N -5.29 -1.54 0.00 0.00 -0.58 -1.26 -4.99 120.64 106.99 2q2p n GLU 112 Ca 0.22 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 2q2p n GLU 112 Cb 0.72 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 2q2p n GLU 112 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2q2p n PRO 113 N -1.18 0.00 0.00 3.49 -0.04 -1.26 -4.84 135.00 131.17 2q2p n PRO 113 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2q2p n PRO 113 Cb 0.56 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 2q2p n PRO 113 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2q2p n GLU 114 N -0.35 0.00 -3.13 0.54 -0.00 -1.26 -4.96 120.64 111.47 2q2p n GLU 114 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.16 56.96 2q2p n GLU 114 Cb 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 31.44 31.36 2q2p n GLU 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2q2p n GLN 115 N 0.00 0.51 -1.67 3.44 6.02 -1.26 -5.01 117.38 119.41 2q2p n GLN 115 Ca 0.00 -2.80 -0.43 0.00 -0.01 0.00 0.00 57.00 53.75 2q2p n GLN 115 Cb 0.00 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 2q2p n GLN 115 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2q2p n SER 116 N 2.16 3.99 -3.94 1.08 2.88 -1.24 -4.89 113.62 113.65 2q2p n SER 116 Ca 0.22 0.93 -0.11 0.00 -1.33 0.00 0.00 58.87 58.58 2q2p n SER 116 Cb 0.53 -1.50 -0.12 0.00 -0.75 0.00 0.00 64.21 62.37 2q2p n SER 116 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2q2p s LEU 117 N 4.08 2.13 -0.15 2.46 2.96 -1.26 -0.44 118.68 128.46 2q2p s LEU 117 Ca 0.89 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2q2p s LEU 117 Cb -0.50 0.02 0.06 0.00 0.50 0.00 0.00 46.19 46.26 2q2p s LEU 117 CO 0.43 -0.15 0.37 -0.69 -1.32 0.00 0.00 176.35 174.99 2q2p s VAL 118 N -0.77 -0.08 0.20 1.68 1.01 0.29 -1.98 120.40 120.74 2q2p s VAL 118 Ca -0.08 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.12 2q2p s VAL 118 Cb -0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2q2p s VAL 118 CO -0.00 0.05 -0.20 0.00 0.00 0.00 0.00 175.10 174.95 2q2p s GLN 120 N -3.01 0.69 -0.27 0.00 -0.21 0.74 -2.33 119.66 115.27 2q2p s GLN 120 Ca 0.21 -0.59 -0.09 0.00 0.02 0.00 0.00 55.36 54.91 2q2p s GLN 120 Cb -0.06 -0.62 -0.03 0.00 1.00 0.00 0.00 33.01 33.30 2q2p s GLN 120 CO 0.09 0.15 0.11 0.00 -2.12 0.00 0.00 175.29 173.52 2q2p s LEU 122 N 1.64 2.96 0.13 0.00 1.43 0.02 -0.12 118.68 124.73 2q2p s LEU 122 Ca 0.06 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2q2p s LEU 122 Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2q2p s LEU 122 CO 0.06 0.23 -0.08 0.68 0.23 0.00 0.00 176.35 177.47 2q2p s VAL 123 N -0.04 3.42 -0.01 -1.59 -7.23 -0.35 -0.92 120.40 113.68 2q2p s VAL 123 Ca -0.01 -1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2q2p s VAL 123 Cb -0.14 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 2q2p s VAL 123 CO 0.03 0.03 0.81 0.03 -0.31 0.00 0.00 175.10 175.70 2q2p h ARG 124 N 3.32 -0.61 -6.56 4.82 2.47 -1.04 -0.99 114.38 115.78 2q2p h ARG 124 Ca -0.48 0.04 -0.68 0.00 -1.26 0.00 0.00 59.98 57.60 2q2p h ARG 124 Cb 1.18 0.14 -0.20 0.00 -1.65 0.00 0.00 29.97 29.43 2q2p h ARG 124 CO 0.54 -0.41 -0.78 0.95 0.56 0.00 0.00 179.97 180.83 2q2p s THR 125 N -3.68 2.96 0.00 2.04 -4.23 -1.26 -4.54 115.64 106.92 2q2p s THR 125 Ca -0.09 -1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2q2p s THR 125 Cb 0.01 -2.28 -0.15 0.00 1.34 0.00 0.00 72.50 71.42 2q2p s THR 125 CO 0.28 0.29 2.40 -0.81 -0.54 0.00 0.00 174.62 176.23 2q2p n PRO 126 N 1.36 1.24 -0.59 3.99 -0.04 -1.26 -4.93 135.00 134.77 2q2p n PRO 126 Ca -0.16 -0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 62.45 2q2p n PRO 126 Cb 0.52 -1.72 0.21 0.00 -0.04 0.00 0.00 33.50 32.47 2q2p n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2q2p n GLU 127 N 2.48 -1.48 -0.39 0.54 1.02 -1.26 -4.88 120.64 116.67 2q2p n GLU 127 Ca 0.24 -0.39 -0.07 0.00 -0.02 0.00 0.00 57.16 56.92 2q2p n GLU 127 Cb 0.57 -2.18 0.07 0.00 -0.02 0.00 0.00 31.44 29.88 2q2p n GLU 127 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2q2p n VAL 128 N -4.56 1.66 -4.04 2.62 0.24 -1.26 -4.85 118.33 108.14 2q2p n VAL 128 Ca 0.06 -0.62 -0.35 0.00 -2.04 0.00 0.00 64.34 61.40 2q2p n VAL 128 Cb 0.54 -0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 32.05 2q2p n VAL 128 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q2p s ASP 129 N 0.21 5.97 -0.18 -1.34 2.15 -1.26 -5.04 116.67 117.17 2q2p s ASP 129 Ca 0.19 0.29 0.13 0.00 0.43 0.00 0.00 52.55 53.59 2q2p s ASP 129 Cb 0.16 -1.82 0.40 0.00 -0.30 0.00 0.00 42.92 41.36 2q2p s ASP 129 CO 0.04 0.34 1.21 -0.90 -0.17 0.00 0.00 175.17 175.68 2q2p n ASP 130 N 1.57 1.68 0.04 -0.34 5.75 -1.26 -4.69 116.55 119.30 2q2p n ASP 130 Ca -0.16 -3.61 -0.09 0.00 -0.01 0.00 0.00 54.79 50.92 2q2p n ASP 130 Cb 0.54 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 2q2p n ASP 130 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2q2p h GLU 131 N 0.89 0.44 -0.04 0.11 4.81 -1.99 -2.69 114.58 116.11 2q2p h GLU 131 Ca -0.02 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2q2p h GLU 131 Cb 1.10 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2q2p h GLU 131 CO 0.01 0.94 0.02 0.00 -0.73 0.00 0.00 179.01 179.25 2q2p h ALA 132 N 0.98 0.05 -0.69 2.92 0.00 -1.99 0.93 119.26 121.46 2q2p h ALA 132 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2q2p h ALA 132 Cb 1.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2q2p h ALA 132 CO 0.11 -0.42 0.40 -0.07 0.00 0.00 0.00 179.25 179.27 2q2p h LEU 133 N -0.02 0.62 0.66 0.00 3.38 -1.88 0.21 115.31 118.29 2q2p h LEU 133 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2q2p h LEU 133 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2q2p h LEU 133 CO -0.00 0.41 -0.36 -0.33 0.09 0.00 0.00 178.44 178.24 2q2p h GLU 134 N 0.75 -0.91 -1.00 1.13 5.08 -1.13 0.28 114.58 118.78 2q2p h GLU 134 Ca 0.30 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.93 2q2p h GLU 134 Cb 0.14 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 2q2p h GLU 134 CO -0.16 -0.61 0.62 0.87 -1.00 0.00 0.00 179.01 178.73 2q2p h LYS 135 N -0.95 0.61 0.66 2.33 1.79 -0.39 -0.63 116.57 120.00 2q2p h LYS 135 Ca -0.09 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 2q2p h LYS 135 Cb 0.75 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2q2p h LYS 135 CO 0.12 0.41 -0.32 0.35 -1.08 0.00 0.00 179.45 178.93 2q2p h PHE 136 N 0.63 -0.82 -0.57 -1.35 3.57 0.12 -1.99 116.94 116.53 2q2p h PHE 136 Ca 0.58 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 62.16 2q2p h PHE 136 Cb 1.08 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 2q2p h PHE 136 CO -0.00 -0.49 0.10 -0.44 -2.23 0.00 0.00 178.31 175.24 2q2p h ASP 137 N -0.96 -0.04 -0.66 0.41 5.19 0.29 -1.00 116.42 119.65 2q2p h ASP 137 Ca -0.09 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 2q2p h ASP 137 Cb 0.70 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 2q2p h ASP 137 CO 0.15 -0.01 0.28 0.11 -3.12 0.00 0.00 179.24 176.65 2q2p h LYS 138 N 0.23 1.00 0.00 3.56 6.56 -1.14 -2.08 116.57 124.69 2q2p h LYS 138 Ca 0.29 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2q2p h LYS 138 Cb 0.43 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2q2p h LYS 138 CO -0.40 0.81 0.00 0.00 -2.06 0.00 0.00 179.45 177.80 2q2p n ALA 139 N -2.44 2.30 0.45 3.86 0.00 -0.44 -3.29 120.51 120.94 2q2p n ALA 139 Ca 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2q2p n ALA 139 Cb 0.17 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 2q2p n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2q2p n LEU 140 N -1.18 0.45 -0.24 0.00 4.77 -0.80 -4.53 117.00 115.46 2q2p n LEU 140 Ca 0.14 -0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 55.59 2q2p n LEU 140 Cb 0.15 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.37 2q2p n LEU 140 CO 0.17 0.11 1.07 0.11 -1.33 0.00 0.00 177.39 177.52 2q2p h LYS 141 N 0.00 1.06 -0.57 3.23 1.57 -1.50 -1.73 116.57 118.64 2q2p h LYS 141 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2q2p h LYS 141 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2q2p h LYS 141 CO 0.00 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.73 2q2p n ALA 142 N -2.44 2.14 -2.86 3.86 0.00 -1.26 -4.74 120.51 115.21 2q2p n ALA 142 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2q2p n ALA 142 Cb 0.17 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 2q2p n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q2p s LEU 143 N -0.23 2.27 -1.31 0.00 1.43 -0.65 -5.08 118.68 115.11 2q2p s LEU 143 Ca 0.00 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2q2p s LEU 143 Cb 0.00 -0.06 0.12 0.00 0.03 0.00 0.00 46.19 46.28 2q2p s LEU 143 CO 0.00 -0.26 1.80 -0.81 0.23 0.00 0.00 176.35 177.32 2q2p n PRO 144 N 1.42 3.29 -3.25 1.29 -0.04 -1.26 -4.98 135.00 131.46 2q2p n PRO 144 Ca -0.23 -3.35 -0.39 0.00 -0.04 0.00 0.00 63.50 59.49 2q2p n PRO 144 Cb 0.55 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 2q2p n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2q2p s MET 145 N 2.22 4.25 -0.01 0.54 -1.94 -1.26 -4.29 119.30 118.81 2q2p s MET 145 Ca 0.45 0.46 0.20 0.00 -1.71 0.00 0.00 55.69 55.10 2q2p s MET 145 Cb 0.06 -3.52 -0.26 0.00 2.01 0.00 0.00 34.83 33.12 2q2p s MET 145 CO 0.00 -0.05 0.71 0.72 -0.01 0.00 0.00 175.02 176.39 2q2p n HIS 146 N 4.43 0.00 -4.47 -0.03 8.25 0.11 -4.93 115.22 118.58 2q2p n HIS 146 Ca -0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 2q2p n HIS 146 Cb 0.51 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.30 2q2p n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2q2p s ILE 147 N -3.10 0.88 -0.08 1.59 2.07 -0.93 -4.84 121.20 116.79 2q2p s ILE 147 Ca 0.02 -0.52 -0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2q2p s ILE 147 Cb 0.15 -0.75 0.04 0.00 0.13 0.00 0.00 42.46 42.03 2q2p s ILE 147 CO 0.84 0.22 0.05 -0.60 -1.91 0.00 0.00 174.94 173.54 2q2p s ARG 148 N -0.34 0.15 0.10 3.50 6.06 -1.26 -1.07 118.95 126.09 2q2p s ARG 148 Ca 0.04 0.17 0.07 0.00 -2.50 0.00 0.00 55.73 53.51 2q2p s ARG 148 Cb -0.05 -0.99 -0.04 0.00 0.06 0.00 0.00 34.95 33.94 2q2p s ARG 148 CO -0.00 -0.41 -0.11 -0.51 -2.50 0.00 0.00 175.30 171.76 2q2p s LEU 149 N 2.10 2.99 -0.03 -0.88 1.02 0.66 -4.97 118.68 119.58 2q2p s LEU 149 Ca 0.04 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.79 2q2p s LEU 149 Cb -0.13 -1.78 0.03 0.00 0.02 0.00 0.00 46.19 44.32 2q2p s LEU 149 CO -0.05 0.19 0.03 -0.55 0.02 0.00 0.00 176.35 175.99 2q2p s SER 150 N -2.11 0.32 0.03 2.29 0.15 -1.26 0.19 113.70 113.30 2q2p s SER 150 Ca 0.20 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.83 2q2p s SER 150 Cb -0.11 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2q2p s SER 150 CO 0.12 -0.14 0.27 -0.36 1.20 0.00 0.00 173.24 174.33 2q2p s PHE 151 N 1.23 3.55 -1.72 3.44 0.08 0.03 -5.00 117.98 119.59 2q2p s PHE 151 Ca -0.07 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2q2p s PHE 151 Cb -0.13 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 2q2p s PHE 151 CO -0.03 0.59 0.43 0.09 -0.10 0.00 0.00 175.22 176.20