#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 h PRO 2 N 0.00 -0.01 -3.41 0.03 0.13 -2.10 -3.49 132.00 123.15 1i16 h PRO 2 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1i16 h PRO 2 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1i16 h PRO 2 CO 0.00 -0.00 -0.04 -0.51 -0.23 0.00 0.00 178.00 177.21 1i16 s ASP 3 N -2.95 -0.21 0.00 1.44 1.01 -1.26 -5.09 116.67 109.62 1i16 s ASP 3 Ca -0.00 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1i16 s ASP 3 Cb 0.00 0.54 0.00 0.00 1.01 0.00 0.00 42.92 44.47 1i16 s ASP 3 CO 0.00 -0.99 0.00 0.18 0.21 0.00 0.00 175.17 174.57 1i16 n LEU 4 N -0.30 0.42 -0.29 1.23 4.32 -1.26 -4.63 117.00 116.49 1i16 n LEU 4 Ca -0.11 0.04 -0.05 0.00 -0.02 0.00 0.00 56.01 55.87 1i16 n LEU 4 Cb 0.63 -0.17 0.07 0.00 -1.62 0.00 0.00 43.42 42.32 1i16 n LEU 4 CO 0.18 -0.17 1.11 0.78 -1.22 0.00 0.00 177.39 178.07 1i16 h ASN 5 N 0.00 1.00 -4.07 -1.43 4.21 -2.01 -3.49 115.58 109.80 1i16 h ASN 5 Ca 0.00 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1i16 h ASN 5 Cb 0.00 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 1i16 h ASN 5 CO 0.00 0.83 -0.60 -1.20 -1.29 0.00 0.00 177.43 175.17 1i16 n SER 6 N -4.40 -6.57 -1.30 5.81 7.64 -1.26 -4.80 113.62 108.74 1i16 n SER 6 Ca 0.07 0.85 0.17 0.00 1.01 0.00 0.00 58.87 60.98 1i16 n SER 6 Cb 0.11 -3.07 -0.05 0.00 -1.01 0.00 0.00 64.21 60.19 1i16 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i16 n SER 7 N 0.52 -7.77 0.09 6.43 2.88 -1.26 -4.37 113.62 110.13 1i16 n SER 7 Ca 0.00 0.66 -0.12 0.00 -1.33 0.00 0.00 58.87 58.08 1i16 n SER 7 Cb 0.00 -4.04 -0.10 0.00 -0.75 0.00 0.00 64.21 59.32 1i16 n SER 7 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1i16 h THR 8 N -1.22 1.54 -2.94 2.46 1.35 -2.05 -3.46 112.91 108.59 1i16 h THR 8 Ca -0.01 -3.02 -0.44 0.00 -0.55 0.00 0.00 66.41 62.39 1i16 h THR 8 Cb 1.20 2.80 -0.14 0.00 -1.73 0.00 0.00 68.15 70.28 1i16 h THR 8 CO 0.02 0.88 -0.68 1.51 -0.25 0.00 0.00 175.52 177.00 1i16 s ASP 9 N -7.01 2.38 0.05 5.36 1.47 -1.26 -5.05 116.67 112.61 1i16 s ASP 9 Ca -0.03 -1.16 -0.24 0.00 1.18 0.00 0.00 52.55 52.31 1i16 s ASP 9 Cb 0.08 -0.10 -0.17 0.00 -0.34 0.00 0.00 42.92 42.40 1i16 s ASP 9 CO 0.86 -0.36 1.59 -1.28 0.68 0.00 0.00 175.17 176.65 1i16 h SER 10 N 2.42 0.00 0.00 2.11 0.87 -1.87 -3.45 113.55 113.64 1i16 h SER 10 Ca -0.39 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1i16 h SER 10 Cb 1.22 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1i16 h SER 10 CO 0.65 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 177.11 1i16 n ALA 11 N -2.17 0.00 -0.00 6.23 0.00 -1.26 -5.03 120.51 118.27 1i16 n ALA 11 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1i16 n ALA 11 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 12 N 0.00 2.85 -0.11 0.00 0.00 -1.26 -4.75 120.51 117.24 1i16 n ALA 12 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 1i16 n ALA 12 Cb 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1i16 n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 13 N -3.17 1.90 -3.96 0.00 7.64 -1.26 -4.52 113.62 110.24 1i16 n SER 13 Ca -0.04 0.38 -0.43 0.00 1.01 0.00 0.00 58.87 59.80 1i16 n SER 13 Cb 0.45 -0.92 0.01 0.00 -1.01 0.00 0.00 64.21 62.74 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 14 N -3.63 5.21 0.06 -0.43 0.00 -1.26 -4.72 120.51 115.74 1i16 n ALA 14 Ca -0.39 -4.56 -0.20 0.00 0.00 0.00 0.00 53.44 48.29 1i16 n ALA 14 Cb 0.76 -2.66 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1i16 n ALA 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i16 h SER 15 N 5.66 0.50 -5.03 0.00 0.87 -1.85 -3.46 113.55 110.24 1i16 h SER 15 Ca 0.29 -0.95 -0.05 0.00 -1.23 0.00 0.00 61.79 59.85 1i16 h SER 15 Cb 0.63 -0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.28 1i16 h SER 15 CO 1.46 1.42 0.03 0.00 -0.53 0.00 0.00 176.83 179.22 1i16 s ALA 16 N -2.44 -1.27 -0.88 6.23 0.00 -1.26 -5.05 121.76 117.08 1i16 s ALA 16 Ca -0.13 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1i16 s ALA 16 Cb 0.01 0.52 0.34 0.00 0.00 0.00 0.00 23.12 23.99 1i16 s ALA 16 CO 0.84 -0.57 2.01 0.00 0.00 0.00 0.00 175.76 178.04 1i16 n ALA 17 N 0.16 6.44 -3.23 0.00 0.00 -1.26 -4.94 120.51 117.68 1i16 n ALA 17 Ca -0.18 -4.19 -0.33 0.00 0.00 0.00 0.00 53.44 48.73 1i16 n ALA 17 Cb 0.62 -2.05 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 18 N -1.09 4.10 -0.30 0.00 0.01 -1.26 -5.08 113.70 110.08 1i16 s SER 18 Ca 0.50 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.43 1i16 s SER 18 Cb 0.39 -1.65 0.09 0.00 0.21 0.00 0.00 66.02 65.05 1i16 s SER 18 CO -0.35 0.11 0.01 -1.81 0.41 0.00 0.00 173.24 171.61 1i16 s ASP 19 N 0.69 4.37 0.34 2.44 1.11 -1.26 -5.09 116.67 119.27 1i16 s ASP 19 Ca -0.05 -1.72 -0.26 0.00 0.18 0.00 0.00 52.55 50.69 1i16 s ASP 19 Cb -0.15 -1.36 -0.13 0.00 1.07 0.00 0.00 42.92 42.35 1i16 s ASP 19 CO 0.02 -0.33 0.94 1.33 1.18 0.00 0.00 175.17 178.32 1i16 n VAL 20 N 4.49 2.09 -1.52 -1.27 0.24 -1.26 -4.60 118.33 116.51 1i16 n VAL 20 Ca -0.03 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.40 1i16 n VAL 20 Cb 0.42 -0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 31.70 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1i16 n SER 21 N 1.04 0.71 -3.98 -1.34 2.88 -1.26 -4.87 113.62 106.79 1i16 n SER 21 Ca 0.10 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1i16 n SER 21 Cb 0.35 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1i16 n SER 21 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1i16 n VAL 22 N 7.49 0.00 -3.56 2.46 0.24 -1.26 -4.53 118.33 119.16 1i16 n VAL 22 Ca 0.58 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.71 1i16 n VAL 22 Cb 0.20 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1i16 n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1i16 n GLU 23 N 0.00 -1.48 -3.17 7.34 1.02 -1.26 -4.95 120.64 118.14 1i16 n GLU 23 Ca 0.00 0.99 -0.21 0.00 -0.02 0.00 0.00 57.16 57.93 1i16 n GLU 23 Cb 0.00 -3.39 -0.06 0.00 -0.02 0.00 0.00 31.44 27.97 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1i16 n SER 24 N -2.35 -0.98 -3.22 1.62 7.64 -1.26 -5.02 113.62 110.06 1i16 n SER 24 Ca -0.22 -2.65 -0.12 0.00 1.01 0.00 0.00 58.87 56.89 1i16 n SER 24 Cb 0.63 0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.86 1i16 n SER 24 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1i16 n THR 25 N 2.29 -2.49 -3.65 0.44 5.66 -1.26 -4.99 114.28 110.28 1i16 n THR 25 Ca 0.23 0.36 -0.01 0.00 -3.05 0.00 0.00 64.05 61.58 1i16 n THR 25 Cb 0.52 -3.06 -0.07 0.00 -1.55 0.00 0.00 70.33 66.17 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i16 s ALA 26 N -1.11 -2.39 -1.29 1.79 0.00 -1.26 -4.93 121.76 112.57 1i16 s ALA 26 Ca 0.12 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1i16 s ALA 26 Cb -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1i16 s ALA 26 CO 0.26 -0.23 0.00 0.39 0.00 0.00 0.00 175.76 176.18 1i16 n GLU 27 N 2.55 -1.60 -0.17 0.00 1.02 -1.26 -4.86 120.64 116.32 1i16 n GLU 27 Ca -0.14 0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 57.50 1i16 n GLU 27 Cb 0.57 -5.09 0.20 0.00 -0.02 0.00 0.00 31.44 27.10 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N -0.45 -3.65 -3.08 0.62 0.00 -1.26 -4.78 120.51 107.91 1i16 n ALA 28 Ca -0.14 -1.06 -0.26 0.00 0.00 0.00 0.00 53.44 51.98 1i16 n ALA 28 Cb 0.49 -0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -1.78 1.34 0.05 0.00 -4.23 0.11 -4.97 115.64 106.16 1i16 s THR 29 Ca 0.46 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 1i16 s THR 29 Cb -0.08 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1i16 s THR 29 CO 0.39 0.39 -0.11 -0.69 -0.54 0.00 0.00 174.62 174.06 1i16 s VAL 30 N 0.23 3.30 -0.37 2.29 1.01 -1.26 0.25 120.40 125.86 1i16 s VAL 30 Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1i16 s VAL 30 Cb -0.13 -2.47 0.15 0.00 0.00 0.00 0.00 36.38 33.94 1i16 s VAL 30 CO 0.03 0.28 0.29 0.00 0.00 0.00 0.00 175.10 175.70 1i16 s THR 32 N 0.93 3.61 0.06 0.00 2.01 -1.26 -3.41 115.64 117.58 1i16 s THR 32 Ca 0.21 1.07 -0.01 0.00 0.31 0.00 0.00 61.69 63.28 1i16 s THR 32 Cb -0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1i16 s THR 32 CO -0.04 0.03 -0.02 0.68 -0.69 0.00 0.00 174.62 174.58 1i16 s VAL 33 N 1.88 0.21 -0.12 3.82 -7.23 -0.08 -4.95 120.40 113.93 1i16 s VAL 33 Ca 0.64 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1i16 s VAL 33 Cb -0.33 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 1i16 s VAL 33 CO 0.28 -0.95 -0.14 0.42 -0.31 0.00 0.00 175.10 174.40 1i16 s THR 34 N -3.93 2.97 0.29 5.32 -4.23 -1.25 0.23 115.64 115.04 1i16 s THR 34 Ca 0.09 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 1i16 s THR 34 Cb 0.08 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1i16 s THR 34 CO -0.09 0.53 0.33 -0.76 -0.54 0.00 0.00 174.62 174.10 1i16 s LEU 35 N 0.27 3.92 -0.44 4.79 1.43 0.77 -3.64 118.68 125.77 1i16 s LEU 35 Ca -0.10 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1i16 s LEU 35 Cb -0.16 -2.54 0.08 0.00 0.03 0.00 0.00 46.19 43.61 1i16 s LEU 35 CO 0.06 -0.24 0.30 -1.61 0.23 0.00 0.00 176.35 175.09 1i16 s GLU 36 N -4.01 2.69 -0.24 1.70 2.02 -1.24 0.29 118.70 119.91 1i16 s GLU 36 Ca 0.39 -1.47 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 1i16 s GLU 36 Cb -0.08 -3.88 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1i16 s GLU 36 CO 0.28 -1.00 1.05 0.21 0.02 0.00 0.00 175.26 175.82 1i16 s LYS 37 N 1.47 4.23 0.00 1.61 2.47 0.16 -4.72 119.74 124.96 1i16 s LYS 37 Ca 0.03 1.32 0.00 0.00 -1.56 0.00 0.00 55.97 55.77 1i16 s LYS 37 Cb -0.24 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.48 1i16 s LYS 37 CO 0.03 -0.67 0.00 -1.33 0.16 0.00 0.00 175.35 173.54 1i16 n MET 38 N 6.40 0.51 0.00 4.03 2.81 -1.26 -2.00 117.12 127.61 1i16 n MET 38 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1i16 n MET 38 Cb 0.46 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1i16 n MET 38 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1i16 n SER 39 N -1.67 0.00 -1.05 7.83 3.41 -1.26 -4.98 113.62 115.90 1i16 n SER 39 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1i16 n SER 39 Cb 0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 40 N 0.00 3.47 -3.89 7.33 0.00 -1.26 -5.02 120.51 121.14 1i16 n ALA 40 Ca 0.00 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.17 1i16 n ALA 40 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 19.45 19.09 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N 0.07 -1.00 1.34 0.00 0.00 -1.26 0.16 105.19 104.51 1i16 n GLY 41 Ca -0.22 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N -4.21 -0.30 -0.38 0.99 4.77 -1.26 -0.37 117.00 116.25 1i16 n LEU 42 Ca -0.15 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1i16 n LEU 42 Cb 0.60 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1i16 n LEU 42 CO 0.70 -0.21 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 1i16 n GLY 43 N -0.09 0.37 2.94 -0.72 0.00 0.43 -3.52 105.19 104.60 1i16 n GLY 43 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -1.12 -0.02 -0.05 1.61 -0.12 0.51 0.30 117.98 119.09 1i16 s PHE 44 Ca 0.00 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 1i16 s PHE 44 Cb 0.00 -0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1i16 s PHE 44 CO 0.00 -0.05 -0.15 -1.54 -0.05 0.00 0.00 175.22 173.43 1i16 s SER 45 N -0.17 3.95 0.09 1.98 1.04 -0.93 -4.93 113.70 114.73 1i16 s SER 45 Ca -0.02 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 1i16 s SER 45 Cb -0.02 -0.82 -0.07 0.00 0.10 0.00 0.00 66.02 65.22 1i16 s SER 45 CO 0.00 0.34 0.53 -0.76 0.98 0.00 0.00 173.24 174.34 1i16 s LEU 46 N -0.70 4.44 0.12 2.42 1.02 -1.26 -1.95 118.68 122.77 1i16 s LEU 46 Ca 0.11 1.14 0.05 0.00 0.02 0.00 0.00 54.13 55.44 1i16 s LEU 46 Cb -0.11 -3.00 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 1i16 s LEU 46 CO 0.00 0.21 -0.12 -1.61 0.02 0.00 0.00 176.35 174.86 1i16 s GLU 47 N -1.46 0.96 0.00 1.70 8.01 0.61 -4.83 118.70 123.69 1i16 s GLU 47 Ca 0.32 -1.26 0.00 0.00 0.01 0.00 0.00 54.97 54.04 1i16 s GLU 47 Cb -0.17 -0.69 0.00 0.00 -4.31 0.00 0.00 34.13 28.96 1i16 s GLU 47 CO 0.18 0.11 0.00 0.41 0.01 0.00 0.00 175.26 175.97 1i16 n GLY 48 N 0.36 -0.27 0.00 -1.39 0.00 -1.26 0.26 105.19 102.89 1i16 n GLY 48 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 4.12 3.57 -0.02 0.00 -1.26 -4.90 105.19 106.70 1i16 n GLY 49 Ca 0.00 -1.38 -0.56 0.00 0.00 0.00 0.00 46.02 44.08 1i16 n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i16 n LYS 50 N -1.23 0.67 0.00 1.61 5.02 -1.26 -4.21 118.16 118.76 1i16 n LYS 50 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1i16 n LYS 50 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i16 n GLY 51 N 2.34 1.85 0.00 0.72 0.00 -1.14 -4.87 105.19 104.08 1i16 n GLY 51 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1i16 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i16 n SER 52 N 0.00 0.00 -1.61 1.61 7.64 -1.26 -4.87 113.62 115.13 1i16 n SER 52 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1i16 n SER 52 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1i16 n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 53 N 0.00 4.12 0.00 -3.43 0.00 -1.26 -4.65 117.00 111.78 1i16 n LEU 53 Ca 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 56.01 51.60 1i16 n LEU 53 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 43.42 43.05 1i16 n LEU 53 CO 0.00 1.85 -0.13 1.57 0.00 0.00 0.00 177.39 180.68 1i16 n HIS 54 N -0.81 0.00 0.00 1.96 -0.00 -1.26 -5.03 115.22 110.08 1i16 n HIS 54 Ca 0.35 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1i16 n HIS 54 Cb 0.88 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.75 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1i16 n GLY 55 N 1.16 0.00 7.00 1.57 0.00 -1.26 -5.12 105.19 108.54 1i16 n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i16 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 56 N 0.00 0.00 -4.13 1.61 5.75 -1.26 -3.69 116.55 114.82 1i16 n ASP 56 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 1i16 n ASP 56 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1i16 s LYS 57 N 0.00 3.00 -1.43 0.11 -2.85 -1.26 -2.88 119.74 114.43 1i16 s LYS 57 Ca 0.00 -2.83 -0.11 0.00 -1.00 0.00 0.00 55.97 52.03 1i16 s LYS 57 Cb 0.00 -3.92 -0.06 0.00 -2.06 0.00 0.00 37.83 31.79 1i16 s LYS 57 CO 0.00 -1.22 2.61 -0.35 0.10 0.00 0.00 175.35 176.49 1i16 n PRO 58 N 3.08 3.13 -1.70 1.78 -0.04 -1.24 -4.56 135.00 135.44 1i16 n PRO 58 Ca 0.14 -2.14 -0.63 0.00 -0.04 0.00 0.00 63.50 60.83 1i16 n PRO 58 Cb 0.39 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 4.44 1.47 -4.31 1.53 4.32 -1.26 -4.75 117.00 118.44 1i16 n LEU 59 Ca 0.66 1.15 -0.21 0.00 -0.02 0.00 0.00 56.01 57.59 1i16 n LEU 59 Cb 0.26 -0.98 -0.11 0.00 -1.62 0.00 0.00 43.42 40.96 1i16 n LEU 59 CO 0.85 -0.84 -0.47 0.42 -1.22 0.00 0.00 177.39 176.14 1i16 s THR 60 N 2.72 1.68 -0.15 -5.08 -4.23 0.74 -3.00 115.64 108.32 1i16 s THR 60 Ca 1.00 -1.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 1i16 s THR 60 Cb -1.31 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1i16 s THR 60 CO 0.72 -0.36 1.31 -0.63 -0.54 0.00 0.00 174.62 175.13 1i16 s ILE 61 N -2.12 4.20 -0.22 2.99 1.01 -1.16 0.22 121.20 126.13 1i16 s ILE 61 Ca 0.14 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 1i16 s ILE 61 Cb -0.05 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 1i16 s ILE 61 CO 0.06 -0.13 -0.25 0.59 0.00 0.00 0.00 174.94 175.21 1i16 n ASN 62 N 6.64 1.83 -4.11 3.58 5.03 -0.82 0.25 115.26 127.65 1i16 n ASN 62 Ca 0.14 0.15 -0.34 0.00 0.87 0.00 0.00 54.58 55.39 1i16 n ASN 62 Cb 0.45 -0.54 -0.13 0.00 -1.02 0.00 0.00 39.78 38.53 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i16 s ARG 63 N -2.41 2.03 -0.00 3.52 0.52 -1.25 -4.81 118.95 116.55 1i16 s ARG 63 Ca -0.30 -1.65 -0.01 0.00 -0.52 0.00 0.00 55.73 53.25 1i16 s ARG 63 Cb 0.10 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1i16 s ARG 63 CO 0.42 -0.88 0.14 0.42 0.02 0.00 0.00 175.30 175.41 1i16 s ILE 64 N 1.12 5.14 0.05 1.52 1.01 -1.26 -2.19 121.20 126.58 1i16 s ILE 64 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1i16 s ILE 64 Cb -0.21 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1i16 s ILE 64 CO -0.04 0.32 0.00 0.49 0.00 0.00 0.00 174.94 175.70 1i16 n PHE 65 N 0.98 -0.10 0.00 3.97 3.72 0.86 -4.96 117.46 121.92 1i16 n PHE 65 Ca -0.11 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1i16 n PHE 65 Cb 0.52 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1i16 n PHE 65 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1i16 n LYS 66 N -2.89 0.00 -1.40 -1.08 4.81 -1.15 -5.04 118.16 111.40 1i16 n LYS 66 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1i16 n LYS 66 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i16 n GLY 67 N 0.00 5.72 5.88 3.14 0.00 -1.23 -4.49 105.19 114.21 1i16 n GLY 67 Ca 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 46.02 43.90 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 n ALA 68 N -0.93 -0.45 -2.45 4.61 0.00 -1.26 -3.68 120.51 116.35 1i16 n ALA 68 Ca 0.57 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1i16 n ALA 68 Cb 0.88 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 69 N -1.36 1.24 -0.06 0.00 0.00 -1.26 -4.11 121.76 116.21 1i16 s ALA 69 Ca 0.00 -1.74 0.20 0.00 0.00 0.00 0.00 51.96 50.42 1i16 s ALA 69 Cb 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 23.12 24.17 1i16 s ALA 69 CO 0.00 -0.68 0.37 0.43 0.00 0.00 0.00 175.76 175.88 1i16 n SER 70 N -1.00 0.33 0.00 0.00 7.64 -1.24 -4.51 113.62 114.84 1i16 n SER 70 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1i16 n SER 70 Cb 0.63 1.74 0.00 0.00 -1.01 0.00 0.00 64.21 65.57 1i16 n SER 70 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1i16 n GLU 71 N -2.31 0.00 -3.64 1.43 -0.00 -1.26 -5.09 120.64 109.76 1i16 n GLU 71 Ca -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.02 1i16 n GLU 71 Cb 0.65 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 32.02 1i16 n GLU 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1i16 s GLN 72 N 0.00 0.52 0.33 3.44 -0.21 -1.26 -5.11 119.66 117.37 1i16 s GLN 72 Ca 0.00 0.85 -0.11 0.00 0.02 0.00 0.00 55.36 56.12 1i16 s GLN 72 Cb 0.00 0.13 -0.07 0.00 1.00 0.00 0.00 33.01 34.07 1i16 s GLN 72 CO 0.00 -0.10 0.69 -1.12 -2.12 0.00 0.00 175.29 172.64 1i16 s SER 73 N 1.27 6.61 -0.96 5.90 0.01 -1.26 -4.13 113.70 121.13 1i16 s SER 73 Ca -0.08 1.08 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 1i16 s SER 73 Cb -0.04 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1i16 s SER 73 CO -0.15 -0.25 0.81 1.21 0.41 0.00 0.00 173.24 175.28 1i16 n GLU 74 N -0.75 -5.43 -1.01 12.44 2.13 -1.26 -4.89 120.64 121.87 1i16 n GLU 74 Ca 0.02 0.65 -0.22 0.00 0.66 0.00 0.00 57.16 58.27 1i16 n GLU 74 Cb 0.53 -5.09 0.10 0.00 0.27 0.00 0.00 31.44 27.25 1i16 n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1i16 n THR 75 N -3.74 2.91 -4.12 6.31 5.66 -1.26 -4.90 114.28 115.15 1i16 n THR 75 Ca -0.15 -1.83 -0.11 0.00 -3.05 0.00 0.00 64.05 58.91 1i16 n THR 75 Cb 0.60 -0.89 -0.08 0.00 -1.55 0.00 0.00 70.33 68.41 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1i16 s VAL 76 N -2.99 0.01 -0.06 1.08 -7.23 -1.26 -4.88 120.40 105.07 1i16 s VAL 76 Ca 0.45 -1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 1i16 s VAL 76 Cb 0.37 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.98 1i16 s VAL 76 CO 0.04 -0.03 0.35 0.00 -0.31 0.00 0.00 175.10 175.15 1i16 s GLN 77 N -4.10 0.60 -0.70 4.82 0.00 -1.26 -5.09 119.66 113.93 1i16 s GLN 77 Ca 0.32 0.09 -0.27 0.00 -0.00 0.00 0.00 55.36 55.49 1i16 s GLN 77 Cb 0.04 0.27 0.03 0.00 0.00 0.00 0.00 33.01 33.36 1i16 s GLN 77 CO 0.10 -0.14 1.28 -1.25 0.00 0.00 0.00 175.29 175.28 1i16 s PRO 78 N -0.76 3.25 -0.36 9.60 0.04 -1.26 -3.73 135.00 141.77 1i16 s PRO 78 Ca -0.08 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1i16 s PRO 78 Cb -0.04 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1i16 s PRO 78 CO 0.03 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1i16 n GLY 79 N 5.32 0.65 3.72 0.56 0.00 0.70 -4.93 105.19 111.20 1i16 n GLY 79 Ca 0.05 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1i16 n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 80 N -2.76 4.28 -1.38 1.61 1.11 -1.24 -4.53 116.67 113.76 1i16 s ASP 80 Ca 0.00 2.42 -0.07 0.00 0.18 0.00 0.00 52.55 55.08 1i16 s ASP 80 Cb 0.00 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.44 1i16 s ASP 80 CO 0.00 -2.21 2.60 1.21 1.18 0.00 0.00 175.17 177.95 1i16 n GLU 81 N -2.53 4.23 -1.62 8.23 2.13 -1.25 -3.01 120.64 126.82 1i16 n GLU 81 Ca 0.14 -3.00 -0.49 0.00 0.66 0.00 0.00 57.16 54.47 1i16 n GLU 81 Cb 0.50 -2.66 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 1i16 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1i16 n ILE 82 N 2.29 0.45 -0.05 6.31 5.41 -1.16 -3.99 119.36 128.62 1i16 n ILE 82 Ca 0.67 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 64.08 1i16 n ILE 82 Cb 0.26 -1.88 -0.13 0.00 -0.71 0.00 0.00 39.64 37.18 1i16 n ILE 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i16 h LEU 83 N 10.55 0.10 -9.50 1.39 3.38 -1.74 -3.42 115.31 116.07 1i16 h LEU 83 Ca -0.43 -0.95 -0.57 0.00 0.09 0.00 0.00 57.88 56.02 1i16 h LEU 83 Cb 1.28 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 1i16 h LEU 83 CO 0.97 1.13 -0.66 -1.10 0.09 0.00 0.00 178.44 178.87 1i16 s GLN 84 N -2.28 2.17 -0.33 1.13 1.11 -1.26 0.84 119.66 121.04 1i16 s GLN 84 Ca -0.19 -1.51 -0.01 0.00 0.01 0.00 0.00 55.36 53.66 1i16 s GLN 84 Cb -0.01 -2.07 0.12 0.00 -1.01 0.00 0.00 33.01 30.03 1i16 s GLN 84 CO 0.71 0.34 0.16 -1.17 0.01 0.00 0.00 175.29 175.34 1i16 s LEU 85 N -3.65 1.31 0.00 2.90 0.20 0.20 -3.50 118.68 116.13 1i16 s LEU 85 Ca 0.32 -1.83 0.00 0.00 0.69 0.00 0.00 54.13 53.31 1i16 s LEU 85 Cb -0.06 -0.56 0.00 0.00 -0.43 0.00 0.00 46.19 45.15 1i16 s LEU 85 CO 0.19 -0.37 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 1i16 n GLY 86 N 4.55 0.26 2.75 7.98 0.00 0.71 -1.70 105.19 119.73 1i16 n GLY 86 Ca 0.03 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N 0.00 5.78 3.57 -0.02 0.00 -1.26 -4.62 105.19 108.64 1i16 n GLY 87 Ca 0.00 -2.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.13 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N -4.93 0.00 -0.17 2.61 -1.32 -0.69 -4.48 115.64 106.66 1i16 s THR 88 Ca 0.49 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.97 1i16 s THR 88 Cb 0.33 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1i16 s THR 88 CO -0.16 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.09 1i16 s ALA 89 N -1.20 2.10 0.03 11.08 0.00 -1.26 0.58 121.76 133.09 1i16 s ALA 89 Ca -0.02 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 1i16 s ALA 89 Cb -0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.82 1i16 s ALA 89 CO 0.02 -0.47 1.29 0.52 0.00 0.00 0.00 175.76 177.12 1i16 h MET 90 N 7.98 -0.85 -1.77 0.00 2.86 0.14 -2.91 114.93 120.38 1i16 h MET 90 Ca -0.39 0.06 0.54 0.00 -2.06 0.00 0.00 59.70 57.85 1i16 h MET 90 Cb 1.13 0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.88 1i16 h MET 90 CO 0.56 -0.57 1.23 1.96 1.06 0.00 0.00 176.91 181.15 1i16 h GLN 91 N -0.94 0.00 -1.47 1.72 7.50 -1.80 1.43 115.11 121.54 1i16 h GLN 91 Ca -0.09 -0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.41 1i16 h GLN 91 Cb 0.68 -0.00 -0.36 0.00 0.05 0.00 0.00 27.48 27.85 1i16 h GLN 91 CO 0.15 0.00 0.02 0.41 -1.50 0.00 0.00 178.83 177.91 1i16 n GLY 92 N -1.78 5.91 3.58 3.46 0.00 -1.11 -4.95 105.19 110.30 1i16 n GLY 92 Ca 0.43 -2.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1i16 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i16 s LEU 93 N -3.75 -0.58 0.00 0.99 1.43 0.49 -4.84 118.68 112.41 1i16 s LEU 93 Ca 0.52 0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 1i16 s LEU 93 Cb 0.43 2.27 0.29 0.00 0.03 0.00 0.00 46.19 49.21 1i16 s LEU 93 CO -0.20 -0.40 1.03 0.41 0.23 0.00 0.00 176.35 177.42 1i16 n THR 94 N 1.47 0.00 0.12 5.49 -1.04 -1.26 -4.71 114.28 114.36 1i16 n THR 94 Ca -0.15 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.05 61.35 1i16 n THR 94 Cb 0.57 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 1i16 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1i16 h ARG 95 N 0.00 -0.37 -0.45 -2.82 1.12 -1.90 -1.56 114.38 108.39 1i16 h ARG 95 Ca -0.39 0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.42 1i16 h ARG 95 Cb 1.18 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.21 1i16 h ARG 95 CO 0.25 -0.25 -0.07 0.35 -3.11 0.00 0.00 179.97 177.14 1i16 h PHE 96 N -1.06 0.95 -0.96 2.20 3.57 -1.93 -2.61 116.94 117.10 1i16 h PHE 96 Ca -0.04 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.29 1i16 h PHE 96 Cb 0.30 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1i16 h PHE 96 CO 0.00 0.93 0.63 1.05 -2.23 0.00 0.00 178.31 178.69 1i16 h GLU 97 N 0.69 1.20 0.69 1.11 4.11 -1.94 -2.48 114.58 117.96 1i16 h GLU 97 Ca 0.12 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 1i16 h GLU 97 Cb 0.61 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1i16 h GLU 97 CO 0.04 0.80 -0.33 0.00 0.07 0.00 0.00 179.01 179.59 1i16 h ALA 98 N 1.38 -1.18 -0.32 1.06 0.00 -1.04 -2.29 119.26 116.86 1i16 h ALA 98 Ca 0.37 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1i16 h ALA 98 Cb -0.05 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i16 h ALA 98 CO -0.11 -1.12 0.64 2.35 0.00 0.00 0.00 179.25 181.02 1i16 h TRP 99 N -0.97 0.00 0.05 0.00 -0.00 -1.38 -0.76 115.95 112.89 1i16 h TRP 99 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.72 1i16 h TRP 99 Cb 0.71 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.87 1i16 h TRP 99 CO 0.06 0.00 -0.31 -0.91 -0.00 0.00 0.00 178.44 177.28 1i16 h ASN 100 N 0.00 0.19 -1.01 2.65 2.35 -0.95 -3.16 115.58 115.65 1i16 h ASN 100 Ca 0.15 -0.95 0.22 0.00 -0.55 0.00 0.00 56.30 55.17 1i16 h ASN 100 Cb 1.43 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 39.62 1i16 h ASN 100 CO -0.00 1.13 0.61 0.40 -1.65 0.00 0.00 177.43 177.91 1i16 h ILE 101 N -0.72 0.61 0.77 2.81 5.03 -0.65 -0.96 117.51 124.39 1i16 h ILE 101 Ca -0.05 -0.22 -0.04 0.00 -0.12 0.00 0.00 64.86 64.43 1i16 h ILE 101 Cb 1.22 -0.09 0.01 0.00 -3.03 0.00 0.00 36.82 34.92 1i16 h ILE 101 CO 0.06 0.12 -0.37 0.40 -0.68 0.00 0.00 178.15 177.68 1i16 h ILE 102 N 0.64 0.19 -1.74 -0.67 5.03 -1.62 -1.58 117.51 117.77 1i16 h ILE 102 Ca 0.61 -0.10 0.50 0.00 -0.12 0.00 0.00 64.86 65.76 1i16 h ILE 102 Cb 1.11 0.21 -0.07 0.00 -3.03 0.00 0.00 36.82 35.05 1i16 h ILE 102 CO -0.42 0.01 1.36 0.11 -0.68 0.00 0.00 178.15 178.53 1i16 h LYS 103 N -1.11 0.00 0.00 2.37 1.79 -1.15 2.38 116.57 120.85 1i16 h LYS 103 Ca -0.11 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.23 1i16 h LYS 103 Cb 0.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1i16 h LYS 103 CO 0.17 0.00 -0.64 0.00 -1.08 0.00 0.00 179.45 177.90 1i16 h ALA 104 N 0.91 0.61 -1.70 3.86 0.00 -0.95 -3.46 119.26 118.52 1i16 h ALA 104 Ca 0.83 -0.57 -0.32 0.00 0.00 0.00 0.00 54.91 54.85 1i16 h ALA 104 Cb 3.54 -0.08 0.18 0.00 0.00 0.00 0.00 17.79 21.43 1i16 h ALA 104 CO -0.01 0.77 -0.37 1.47 0.00 0.00 0.00 179.25 181.11 1i16 n LEU 105 N -3.24 -1.28 -4.93 0.00 -0.00 0.80 -4.98 117.00 103.37 1i16 n LEU 105 Ca 0.01 -0.47 -0.29 0.00 -0.00 0.00 0.00 56.01 55.27 1i16 n LEU 105 Cb 0.78 -0.91 0.15 0.00 -0.00 0.00 0.00 43.42 43.44 1i16 n LEU 105 CO 0.42 -3.63 0.80 -2.16 -0.00 0.00 0.00 177.39 172.82 1i16 s PRO 106 N -4.00 1.17 -0.86 1.47 0.04 -1.26 -5.00 135.00 126.56 1i16 s PRO 106 Ca 0.51 -0.36 -0.16 0.00 0.04 0.00 0.00 61.00 61.04 1i16 s PRO 106 Cb -0.11 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1i16 s PRO 106 CO 0.49 -2.03 0.89 -0.51 0.04 0.00 0.00 177.00 175.88 1i16 s ASP 107 N -4.77 6.70 0.00 6.66 1.01 -1.26 -4.77 116.67 120.24 1i16 s ASP 107 Ca 0.69 -2.42 0.00 0.00 0.71 0.00 0.00 52.55 51.54 1i16 s ASP 107 Cb -0.06 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1i16 s ASP 107 CO 0.50 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1i16 n GLY 108 N 4.57 3.92 3.56 0.21 0.00 -0.85 -4.78 105.19 111.82 1i16 n GLY 108 Ca 0.17 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 3.90 3.14 -0.27 1.61 0.04 -1.25 0.38 135.00 142.54 1i16 s PRO 109 Ca 0.00 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.87 1i16 s PRO 109 Cb 0.00 -4.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.34 1i16 s PRO 109 CO 0.00 -2.17 0.79 0.54 0.04 0.00 0.00 177.00 176.20 1i16 s VAL 110 N 6.30 4.82 -0.19 -0.36 0.11 0.85 -4.75 120.40 127.18 1i16 s VAL 110 Ca 0.44 1.35 -0.23 0.00 -2.93 0.00 0.00 61.98 60.61 1i16 s VAL 110 Cb -0.09 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 1i16 s VAL 110 CO 0.19 -0.15 0.73 -0.89 -3.33 0.00 0.00 175.10 171.65 1i16 s THR 111 N 2.88 4.94 0.17 5.04 2.01 -1.26 0.27 115.64 129.69 1i16 s THR 111 Ca 0.33 1.41 0.07 0.00 0.31 0.00 0.00 61.69 63.81 1i16 s THR 111 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1i16 s THR 111 CO 0.10 0.06 0.00 0.27 -0.69 0.00 0.00 174.62 174.36 1i16 s ILE 112 N 2.09 3.74 -0.44 1.82 -4.36 0.61 0.26 121.20 124.93 1i16 s ILE 112 Ca 0.33 -1.40 0.02 0.00 -0.26 0.00 0.00 60.65 59.34 1i16 s ILE 112 Cb -0.16 -2.88 0.14 0.00 1.25 0.00 0.00 42.46 40.81 1i16 s ILE 112 CO 0.11 -0.10 0.25 -0.69 0.24 0.00 0.00 174.94 174.74 1i16 s VAL 113 N -1.71 1.25 -0.09 8.37 1.01 -1.23 -0.90 120.40 127.09 1i16 s VAL 113 Ca 0.27 -2.51 -0.21 0.00 0.00 0.00 0.00 61.98 59.54 1i16 s VAL 113 Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1i16 s VAL 113 CO 0.19 -0.92 0.59 0.27 0.00 0.00 0.00 175.10 175.22 1i16 s ILE 114 N 0.37 5.10 -0.31 2.22 -5.25 -1.22 -2.38 121.20 119.74 1i16 s ILE 114 Ca 0.19 1.19 0.03 0.00 -0.99 0.00 0.00 60.65 61.07 1i16 s ILE 114 Cb -0.22 -3.92 0.09 0.00 2.95 0.00 0.00 42.46 41.35 1i16 s ILE 114 CO -0.01 0.30 0.02 -0.60 -1.79 0.00 0.00 174.94 172.86 1i16 s ARG 115 N 0.63 1.49 0.49 0.37 3.52 -1.26 -0.40 118.95 123.79 1i16 s ARG 115 Ca 0.32 -1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.30 1i16 s ARG 115 Cb -0.16 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1i16 s ARG 115 CO 0.14 -0.86 0.76 1.03 -0.81 0.00 0.00 175.30 175.57 1i16 s ARG 116 N 1.09 3.22 -0.07 5.12 0.52 0.14 -3.92 118.95 125.06 1i16 s ARG 116 Ca 0.06 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 1i16 s ARG 116 Cb -0.19 -2.42 0.01 0.00 0.52 0.00 0.00 34.95 32.87 1i16 s ARG 116 CO -0.10 -0.33 -0.15 0.15 0.02 0.00 0.00 175.30 174.89 1i16 s LYS 117 N -4.72 2.00 0.10 3.54 3.01 -1.26 0.06 119.74 122.46 1i16 s LYS 117 Ca 0.49 -0.52 0.03 0.00 -1.01 0.00 0.00 55.97 54.96 1i16 s LYS 117 Cb -0.10 -1.60 -0.04 0.00 -1.01 0.00 0.00 37.83 35.08 1i16 s LYS 117 CO 0.42 0.06 0.12 0.45 0.51 0.00 0.00 175.35 176.92 1i16 s SER 118 N 0.59 5.72 -1.21 2.83 0.15 -1.26 -5.00 113.70 115.51 1i16 s SER 118 Ca -0.16 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.40 1i16 s SER 118 Cb -0.16 -1.58 0.19 0.00 -1.71 0.00 0.00 66.02 62.75 1i16 s SER 118 CO 0.05 0.14 1.48 0.00 1.20 0.00 0.00 173.24 176.11 1i16 n LEU 119 N 0.21 5.52 -2.17 3.45 -0.00 -1.26 -4.48 117.00 118.27 1i16 n LEU 119 Ca -0.08 -4.58 -0.03 0.00 -0.00 0.00 0.00 56.01 51.32 1i16 n LEU 119 Cb 0.52 -1.57 0.07 0.00 -0.00 0.00 0.00 43.42 42.44 1i16 n LEU 119 CO 0.46 0.93 0.55 1.67 -0.00 0.00 0.00 177.39 181.00 1i16 n GLN 120 N 4.89 0.96 -2.90 1.47 7.27 -1.26 -4.96 117.38 122.86 1i16 n GLN 120 Ca 0.36 -1.13 -0.40 0.00 0.07 0.00 0.00 57.00 55.90 1i16 n GLN 120 Cb 0.41 0.44 -0.05 0.00 2.41 0.00 0.00 30.24 33.45 1i16 n GLN 120 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1i16 s SER 121 N -1.07 7.32 -1.28 1.69 0.01 -1.26 -4.96 113.70 114.14 1i16 s SER 121 Ca 0.06 1.58 -0.06 0.00 1.31 0.00 0.00 55.95 58.84 1i16 s SER 121 Cb 0.31 -2.51 0.15 0.00 0.21 0.00 0.00 66.02 64.19 1i16 s SER 121 CO -0.09 0.00 2.15 2.29 0.41 0.00 0.00 173.24 178.00 1i16 n LYS 122 N 2.72 4.32 -0.39 12.44 2.85 -1.26 -4.75 118.16 134.10 1i16 n LYS 122 Ca -0.01 -3.59 0.38 0.00 -1.05 0.00 0.00 58.31 54.03 1i16 n LYS 122 Cb 0.50 -2.71 0.75 0.00 -0.65 0.00 0.00 35.03 32.92 1i16 n LYS 122 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1i16 h GLU 123 N 4.99 0.01 -6.33 -1.58 3.07 -1.97 -3.41 114.58 109.37 1i16 h GLU 123 Ca 0.57 -0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.79 1i16 h GLU 123 Cb 0.42 -0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.42 1i16 h GLU 123 CO 1.51 0.01 0.16 -2.37 -1.40 0.00 0.00 179.01 176.91 1i16 n THR 124 N -4.16 1.23 -3.01 1.13 5.66 -1.26 -3.51 114.28 110.35 1i16 n THR 124 Ca 0.29 -0.31 -0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1i16 n THR 124 Cb 1.36 -0.78 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1i16 n THR 124 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1i16 n THR 125 N 1.05 -5.08 0.04 1.09 -2.24 -1.26 -4.86 114.28 103.02 1i16 n THR 125 Ca 0.14 0.92 -0.13 0.00 -2.27 0.00 0.00 64.05 62.72 1i16 n THR 125 Cb 0.26 -4.13 -0.01 0.00 -2.10 0.00 0.00 70.33 64.35 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 h ALA 126 N 3.77 0.47 0.00 6.98 0.00 -1.86 -3.43 119.26 125.19 1i16 h ALA 126 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1i16 h ALA 126 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1i16 h ALA 126 CO 0.02 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1i16 n ALA 127 N -2.54 3.00 -3.02 0.00 0.00 -1.26 -5.15 120.51 111.53 1i16 n ALA 127 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1i16 n ALA 127 Cb 0.75 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 20.29 1i16 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 128 N 2.29 3.44 0.04 0.00 0.00 -1.26 -5.11 105.19 104.58 1i16 n GLY 128 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 1i16 n GLY 128 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i16 n ASP 129 N -2.42 0.91 0.00 1.61 -0.08 -1.26 -4.80 116.55 110.50 1i16 n ASP 129 Ca 0.00 0.40 0.07 0.00 -1.51 0.00 0.00 54.79 53.74 1i16 n ASP 129 Cb 0.01 -0.67 0.40 0.00 2.34 0.00 0.00 41.12 43.20 1i16 n ASP 129 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08