#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 n PRO 2 N 0.00 0.00 -4.00 3.17 -0.04 -1.26 -5.05 135.00 127.82 1i16 n PRO 2 Ca 0.00 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1i16 n PRO 2 Cb 0.00 -0.97 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1i16 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i16 s ASP 3 N -2.56 0.51 0.00 3.54 1.01 -1.26 -5.13 116.67 112.78 1i16 s ASP 3 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.96 1i16 s ASP 3 Cb 0.00 0.71 0.00 0.00 1.01 0.00 0.00 42.92 44.64 1i16 s ASP 3 CO 0.00 -1.38 0.00 0.18 0.21 0.00 0.00 175.17 174.18 1i16 n LEU 4 N -0.53 0.00 -3.73 1.23 7.99 -1.26 -5.12 117.00 115.59 1i16 n LEU 4 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.87 1i16 n LEU 4 Cb 0.61 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.86 1i16 n LEU 4 CO 0.28 0.00 0.06 0.21 -1.51 0.00 0.00 177.39 176.43 1i16 s ASN 5 N -0.55 -0.13 0.00 -1.43 3.84 -1.26 -5.05 114.94 110.36 1i16 s ASN 5 Ca 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.76 1i16 s ASN 5 Cb 0.00 0.40 0.00 0.00 -0.55 0.00 0.00 41.25 41.10 1i16 s ASN 5 CO 0.00 -0.72 0.84 -1.54 -2.79 0.00 0.00 177.10 172.89 1i16 n SER 6 N 0.17 0.00 -0.84 -4.21 3.41 -1.26 -4.82 113.62 106.07 1i16 n SER 6 Ca -0.17 -1.70 0.09 0.00 -0.26 0.00 0.00 58.87 56.83 1i16 n SER 6 Cb 0.61 -0.14 0.14 0.00 -0.26 0.00 0.00 64.21 64.57 1i16 n SER 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i16 n SER 7 N 0.00 2.89 -0.01 4.04 3.41 -1.26 -4.43 113.62 118.25 1i16 n SER 7 Ca 0.00 -1.85 -0.17 0.00 -0.26 0.00 0.00 58.87 56.59 1i16 n SER 7 Cb 0.64 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 1i16 n SER 7 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1i16 h THR 8 N 3.42 1.33 -3.04 6.66 2.02 -2.03 -3.50 112.91 117.77 1i16 h THR 8 Ca 0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1i16 h THR 8 Cb 0.80 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1i16 h THR 8 CO 0.00 0.61 -0.58 -0.67 0.37 0.00 0.00 175.52 175.25 1i16 n ASP 9 N -4.07 -6.22 0.00 4.18 -0.08 -1.26 -4.28 116.55 104.81 1i16 n ASP 9 Ca -0.09 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1i16 n ASP 9 Cb 0.70 -3.47 0.00 0.00 2.34 0.00 0.00 41.12 40.70 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1i16 n SER 10 N 1.15 0.00 -1.39 1.67 2.88 -1.26 -4.47 113.62 112.21 1i16 n SER 10 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1i16 n SER 10 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 11 N 0.00 -0.39 -0.07 -1.46 0.00 -1.26 -4.96 120.51 112.38 1i16 n ALA 11 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1i16 n ALA 11 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 h ALA 12 N 0.23 0.28 -0.24 0.00 0.00 -1.93 -3.45 119.26 114.16 1i16 h ALA 12 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i16 h ALA 12 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1i16 h ALA 12 CO 0.13 0.19 0.00 0.45 0.00 0.00 0.00 179.25 180.02 1i16 n SER 13 N -4.47 0.00 -3.02 0.00 2.88 -1.26 -4.65 113.62 103.09 1i16 n SER 13 Ca -0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 1i16 n SER 13 Cb 0.39 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 14 N 0.24 -2.02 -1.70 -1.46 0.00 -1.26 -1.77 120.51 112.54 1i16 n ALA 14 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1i16 n ALA 14 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 19.45 15.47 1i16 n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 15 N -2.92 -4.37 0.00 0.00 3.41 -1.26 -3.33 113.62 105.16 1i16 n SER 15 Ca -0.13 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1i16 n SER 15 Cb 0.62 -3.89 0.00 0.00 -0.26 0.00 0.00 64.21 60.67 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 16 N 0.11 0.00 -2.95 7.33 0.00 -0.73 -4.47 120.51 119.81 1i16 n ALA 16 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.83 1i16 n ALA 16 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 17 N -0.80 3.61 0.00 0.00 0.00 -1.25 -4.93 121.76 118.38 1i16 s ALA 17 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 48.97 1i16 s ALA 17 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1i16 s ALA 17 CO 0.00 -2.89 0.00 -1.13 0.00 0.00 0.00 175.76 171.74 1i16 n SER 18 N 6.15 0.00 -4.10 0.00 3.41 -1.21 -4.99 113.62 112.88 1i16 n SER 18 Ca 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.79 1i16 n SER 18 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 1i16 n SER 18 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1i16 s ASP 19 N -1.97 0.17 0.27 4.04 -4.77 -1.26 -5.09 116.67 108.07 1i16 s ASP 19 Ca 0.00 -1.15 -0.29 0.00 -3.30 0.00 0.00 52.55 47.81 1i16 s ASP 19 Cb 0.00 0.37 -0.09 0.00 -1.09 0.00 0.00 42.92 42.11 1i16 s ASP 19 CO 0.00 -0.83 1.03 0.68 0.70 0.00 0.00 175.17 176.75 1i16 s VAL 20 N -4.05 3.74 0.27 2.11 -7.23 -1.26 -4.77 120.40 109.21 1i16 s VAL 20 Ca 0.26 1.71 0.00 0.00 -1.81 0.00 0.00 61.98 62.14 1i16 s VAL 20 Cb 0.06 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1i16 s VAL 20 CO 0.04 0.38 0.00 -1.20 -0.31 0.00 0.00 175.10 174.01 1i16 n SER 21 N 1.19 -5.03 -3.95 4.85 7.64 -1.26 -4.95 113.62 112.11 1i16 n SER 21 Ca -0.01 0.65 -0.30 0.00 1.01 0.00 0.00 58.87 60.22 1i16 n SER 21 Cb 0.46 -2.02 -0.15 0.00 -1.01 0.00 0.00 64.21 61.48 1i16 n SER 21 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1i16 s VAL 22 N -2.64 1.61 0.30 0.44 -7.23 -1.26 -5.10 120.40 106.50 1i16 s VAL 22 Ca 0.00 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1i16 s VAL 22 Cb 0.00 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1i16 s VAL 22 CO 0.00 -0.10 0.30 -0.62 -0.31 0.00 0.00 175.10 174.36 1i16 n GLU 23 N 4.64 0.43 -2.88 4.82 -0.58 -1.26 -5.00 120.64 120.80 1i16 n GLU 23 Ca -0.12 -2.83 -0.03 0.00 -0.42 0.00 0.00 57.16 53.76 1i16 n GLU 23 Cb 0.44 2.41 0.00 0.00 -0.57 0.00 0.00 31.44 33.72 1i16 n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1i16 n SER 24 N -1.80 -7.59 -0.04 1.62 3.41 -1.26 -4.99 113.62 102.97 1i16 n SER 24 Ca 0.05 1.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.63 1i16 n SER 24 Cb 0.53 -4.34 -0.01 0.00 -0.26 0.00 0.00 64.21 60.12 1i16 n SER 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1i16 n THR 25 N 0.64 0.70 0.00 6.66 -1.04 -1.26 -5.05 114.28 114.94 1i16 n THR 25 Ca 0.01 0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1i16 n THR 25 Cb 0.21 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 n ALA 26 N -3.16 0.00 -2.43 2.41 0.00 -1.26 -5.08 120.51 110.98 1i16 n ALA 26 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1i16 n ALA 26 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 1i16 n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i16 n GLU 27 N 0.00 -3.45 -1.75 0.00 1.02 -1.26 -4.92 120.64 110.29 1i16 n GLU 27 Ca 0.00 2.73 -0.30 0.00 -0.02 0.00 0.00 57.16 59.57 1i16 n GLU 27 Cb 0.00 -4.46 0.21 0.00 -0.02 0.00 0.00 31.44 27.18 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 s ALA 28 N -0.86 1.82 -0.07 0.62 0.00 -1.26 -4.69 121.76 117.32 1i16 s ALA 28 Ca -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 1i16 s ALA 28 Cb 0.01 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.40 1i16 s ALA 28 CO 0.65 -2.82 0.14 0.95 0.00 0.00 0.00 175.76 174.69 1i16 s THR 29 N -3.74 -0.08 0.04 0.00 -4.23 -0.09 -4.99 115.64 102.55 1i16 s THR 29 Ca 0.75 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.46 1i16 s THR 29 Cb -0.04 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 1i16 s THR 29 CO 0.54 0.09 0.22 -0.69 -0.54 0.00 0.00 174.62 174.23 1i16 s VAL 30 N 1.35 5.38 -0.39 2.29 1.01 -1.26 -1.00 120.40 127.78 1i16 s VAL 30 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1i16 s VAL 30 Cb -0.12 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1i16 s VAL 30 CO -0.06 0.20 0.26 0.00 0.00 0.00 0.00 175.10 175.50 1i16 s THR 32 N 0.61 3.15 0.06 0.00 2.01 -1.26 -3.39 115.64 116.82 1i16 s THR 32 Ca 0.22 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 62.94 1i16 s THR 32 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1i16 s THR 32 CO -0.05 0.03 0.01 0.68 -0.69 0.00 0.00 174.62 174.60 1i16 s VAL 33 N 1.71 0.21 -0.10 3.82 -7.23 0.85 -4.93 120.40 114.73 1i16 s VAL 33 Ca 0.68 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1i16 s VAL 33 Cb -0.38 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 1i16 s VAL 33 CO 0.30 -0.93 -0.08 0.42 -0.31 0.00 0.00 175.10 174.50 1i16 s THR 34 N -3.86 3.58 -0.59 5.32 -4.23 -1.26 0.32 115.64 114.93 1i16 s THR 34 Ca 0.06 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 60.13 1i16 s THR 34 Cb 0.07 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.68 1i16 s THR 34 CO -0.10 0.56 0.72 0.18 -0.54 0.00 0.00 174.62 175.44 1i16 n LEU 35 N 2.76 3.14 0.00 4.79 4.77 0.26 -4.87 117.00 127.85 1i16 n LEU 35 Ca -0.18 -5.32 0.00 0.00 -0.03 0.00 0.00 56.01 50.48 1i16 n LEU 35 Cb 0.53 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1i16 n LEU 35 CO 0.29 2.09 0.00 -0.62 -1.33 0.00 0.00 177.39 177.82 1i16 n GLU 36 N 0.85 0.00 -2.42 3.23 -0.58 -1.26 -4.42 120.64 116.04 1i16 n GLU 36 Ca 0.28 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.64 1i16 n GLU 36 Cb 0.43 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.27 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1i16 s LYS 37 N 0.00 3.21 0.00 3.49 1.02 0.21 -4.48 119.74 123.20 1i16 s LYS 37 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1i16 s LYS 37 Cb 0.00 -4.87 0.00 0.00 -0.52 0.00 0.00 37.83 32.44 1i16 s LYS 37 CO 0.00 -2.43 0.00 0.00 -0.92 0.00 0.00 175.35 172.00 1i16 n MET 38 N 9.06 0.00 0.00 1.68 0.00 -1.26 -3.95 117.12 122.64 1i16 n MET 38 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.94 1i16 n MET 38 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 1i16 n MET 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1i16 n SER 39 N 0.00 0.00 0.00 3.17 3.41 -1.26 -2.46 113.62 116.48 1i16 n SER 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i16 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 8.87 0.96 0.00 7.33 0.00 -1.26 -5.00 120.51 131.41 1i16 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.58 -1.81 1.89 0.00 0.00 -1.03 -4.91 105.19 99.91 1i16 n GLY 41 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 0.00 -0.82 0.99 4.77 -1.24 0.84 117.00 121.53 1i16 n LEU 42 Ca 0.00 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1i16 n LEU 42 Cb 0.00 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1i16 n LEU 42 CO 0.00 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.59 1i16 n GLY 43 N -0.31 0.76 3.26 -0.72 0.00 -1.26 -4.86 105.19 102.07 1i16 n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.53 -0.34 0.05 1.61 -0.12 0.25 0.29 117.98 118.17 1i16 s PHE 44 Ca 0.00 0.77 0.08 0.00 -0.05 0.00 0.00 56.93 57.73 1i16 s PHE 44 Cb 0.00 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 1i16 s PHE 44 CO 0.00 -0.27 -0.23 -1.54 -0.05 0.00 0.00 175.22 173.12 1i16 s SER 45 N -0.34 2.81 0.09 1.98 1.04 -0.97 -4.87 113.70 113.43 1i16 s SER 45 Ca -0.05 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.70 1i16 s SER 45 Cb -0.03 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.78 1i16 s SER 45 CO 0.02 0.20 0.46 -0.76 0.98 0.00 0.00 173.24 174.14 1i16 s LEU 46 N -1.25 4.36 0.12 2.42 1.02 -1.26 -2.33 118.68 121.76 1i16 s LEU 46 Ca 0.10 0.93 0.05 0.00 0.02 0.00 0.00 54.13 55.23 1i16 s LEU 46 Cb -0.09 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 1i16 s LEU 46 CO 0.02 0.17 -0.12 -1.61 0.02 0.00 0.00 176.35 174.82 1i16 s GLU 47 N -1.81 0.99 0.00 1.70 8.01 0.60 -4.79 118.70 123.41 1i16 s GLU 47 Ca 0.34 -1.26 0.00 0.00 0.01 0.00 0.00 54.97 54.05 1i16 s GLU 47 Cb -0.15 -0.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.90 1i16 s GLU 47 CO 0.18 0.13 0.00 0.41 0.01 0.00 0.00 175.26 175.99 1i16 n GLY 48 N 0.40 0.07 0.00 -1.39 0.00 -1.26 0.26 105.19 103.27 1i16 n GLY 48 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 3.62 3.67 -0.02 0.00 -1.26 -4.80 105.19 106.40 1i16 n GLY 49 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 0.26 1.14 0.00 1.61 2.85 -1.26 -4.45 118.16 118.31 1i16 n LYS 50 Ca 0.00 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1i16 n LYS 50 Cb 0.00 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.06 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i16 n GLY 51 N 1.09 0.46 0.00 2.58 0.00 -1.26 -4.97 105.19 103.09 1i16 n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.40 1.51 -1.78 1.61 7.64 -1.26 -5.03 113.62 115.90 1i16 n SER 52 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1i16 n SER 52 Cb 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 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 5.64 0.00 -3.43 7.94 -1.26 -4.36 117.00 121.53 1i16 n LEU 53 Ca 0.00 -3.90 0.00 0.00 -1.11 0.00 0.00 56.01 51.00 1i16 n LEU 53 Cb 0.00 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1i16 n LEU 53 CO 0.00 1.31 0.17 0.00 -1.11 0.00 0.00 177.39 177.76 1i16 n HIS 54 N -1.07 0.00 0.00 1.96 1.44 -1.26 -5.03 115.22 111.26 1i16 n HIS 54 Ca 0.48 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.19 1i16 n HIS 54 Cb 1.19 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.30 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i16 n GLY 55 N 0.17 0.55 0.00 -1.39 0.00 -1.26 -5.19 105.19 98.06 1i16 n GLY 55 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1i16 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 56 N 0.00 0.00 -3.94 1.61 9.92 -1.26 -5.01 116.55 117.86 1i16 n ASP 56 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1i16 n ASP 56 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1i16 s LYS 57 N -2.00 2.36 -1.39 -1.24 0.00 -1.26 -4.44 119.74 111.77 1i16 s LYS 57 Ca 0.00 -3.04 -0.14 0.00 0.00 0.00 0.00 55.97 52.79 1i16 s LYS 57 Cb 0.00 -3.44 0.08 0.00 0.00 0.00 0.00 37.83 34.46 1i16 s LYS 57 CO 0.00 -1.22 2.04 -0.35 0.00 0.00 0.00 175.35 175.82 1i16 n PRO 58 N 2.48 3.09 -1.44 1.78 -0.04 -1.26 -4.71 135.00 134.90 1i16 n PRO 58 Ca 0.14 -2.96 -0.59 0.00 -0.04 0.00 0.00 63.50 60.05 1i16 n PRO 58 Cb 0.34 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.47 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 6.01 1.40 -4.47 1.53 4.32 -1.25 -4.70 117.00 119.83 1i16 n LEU 59 Ca 0.48 0.75 -0.27 0.00 -0.02 0.00 0.00 56.01 56.96 1i16 n LEU 59 Cb 0.40 -1.02 -0.11 0.00 -1.62 0.00 0.00 43.42 41.07 1i16 n LEU 59 CO 0.85 -0.72 -0.50 0.42 -1.22 0.00 0.00 177.39 176.22 1i16 s THR 60 N 5.50 2.61 -0.30 -5.08 -4.23 0.74 -2.40 115.64 112.47 1i16 s THR 60 Ca 1.12 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1i16 s THR 60 Cb -1.28 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1i16 s THR 60 CO 0.64 -0.11 1.26 -0.63 -0.54 0.00 0.00 174.62 175.25 1i16 s ILE 61 N -1.67 4.20 -0.16 2.99 1.01 -1.17 0.22 121.20 126.63 1i16 s ILE 61 Ca 0.22 1.37 -0.04 0.00 0.00 0.00 0.00 60.65 62.19 1i16 s ILE 61 Cb -0.08 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 1i16 s ILE 61 CO 0.11 -0.47 -0.18 0.59 0.00 0.00 0.00 174.94 175.00 1i16 n ASN 62 N 7.46 1.86 -4.31 3.58 4.13 -0.98 -0.53 115.26 126.46 1i16 n ASN 62 Ca 0.14 0.08 -0.46 0.00 1.68 0.00 0.00 54.58 56.02 1i16 n ASN 62 Cb 0.47 -0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1i16 s ARG 63 N -2.30 3.52 0.02 3.52 0.52 -1.25 -4.90 118.95 118.08 1i16 s ARG 63 Ca -0.22 -2.46 -0.10 0.00 -0.52 0.00 0.00 55.73 52.43 1i16 s ARG 63 Cb 0.07 -4.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 1i16 s ARG 63 CO 0.32 -1.28 0.35 0.42 0.02 0.00 0.00 175.30 175.12 1i16 s ILE 64 N 0.17 5.16 -0.18 1.52 1.01 -1.26 -2.30 121.20 125.32 1i16 s ILE 64 Ca 0.18 0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.39 1i16 s ILE 64 Cb -0.11 -3.62 -0.17 0.00 0.01 0.00 0.00 42.46 38.57 1i16 s ILE 64 CO -0.08 0.42 -0.05 0.49 0.00 0.00 0.00 174.94 175.72 1i16 n PHE 65 N 1.32 0.00 -4.72 3.97 3.72 0.82 -4.94 117.46 117.63 1i16 n PHE 65 Ca -0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.03 1i16 n PHE 65 Cb 0.53 -0.78 -0.16 0.00 -0.94 0.00 0.00 39.48 38.12 1i16 n PHE 65 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1i16 s LYS 66 N -2.39 1.87 -0.58 -1.08 2.20 -1.21 -5.01 119.74 113.53 1i16 s LYS 66 Ca -0.16 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1i16 s LYS 66 Cb 0.06 -1.54 0.40 0.00 -1.51 0.00 0.00 37.83 35.24 1i16 s LYS 66 CO 0.57 0.10 2.03 0.41 -0.36 0.00 0.00 175.35 178.10 1i16 n GLY 67 N 3.61 5.42 3.30 5.54 0.00 -1.26 -4.82 105.19 116.98 1i16 n GLY 67 Ca -0.21 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 43.85 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 s ALA 68 N -3.34 -2.97 -0.17 4.61 0.00 -1.26 -4.73 121.76 113.90 1i16 s ALA 68 Ca 0.57 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 54.14 1i16 s ALA 68 Cb 0.45 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1i16 s ALA 68 CO -0.01 -1.00 1.75 0.00 0.00 0.00 0.00 175.76 176.50 1i16 s ALA 69 N 2.35 3.28 0.00 0.00 0.00 -1.24 -4.69 121.76 121.47 1i16 s ALA 69 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1i16 s ALA 69 Cb -0.05 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1i16 s ALA 69 CO -0.16 -1.94 0.00 0.43 0.00 0.00 0.00 175.76 174.08 1i16 n SER 70 N 8.60 0.00 -0.37 0.00 7.64 -1.26 -0.43 113.62 127.80 1i16 n SER 70 Ca 0.20 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.09 1i16 n SER 70 Cb 0.44 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.00 0.21 -2.89 1.43 0.00 -1.26 -5.09 120.64 113.04 1i16 n GLU 71 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 57.16 55.86 1i16 n GLU 71 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 31.44 30.84 1i16 n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1i16 n GLN 72 N -0.18 0.80 -1.20 3.44 10.64 0.43 -5.05 117.38 126.25 1i16 n GLN 72 Ca 0.02 -2.47 -0.38 0.00 -1.83 0.00 0.00 57.00 52.34 1i16 n GLN 72 Cb 0.66 0.06 0.03 0.00 -0.86 0.00 0.00 30.24 30.13 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1i16 n SER 73 N -2.17 -3.49 -4.64 2.61 3.41 -1.26 -4.09 113.62 104.00 1i16 n SER 73 Ca 0.05 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 1i16 n SER 73 Cb 0.46 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1i16 n SER 73 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i16 s GLU 74 N -1.71 3.85 -0.41 4.33 1.03 -1.26 -3.73 118.70 120.80 1i16 s GLU 74 Ca 0.56 1.92 0.06 0.00 0.03 0.00 0.00 54.97 57.53 1i16 s GLU 74 Cb -0.39 -4.07 0.65 0.00 -0.80 0.00 0.00 34.13 29.52 1i16 s GLU 74 CO 0.67 -1.24 1.83 0.25 -1.33 0.00 0.00 175.26 175.44 1i16 n THR 75 N 6.25 3.06 -4.31 1.83 -2.24 -1.26 -4.87 114.28 112.74 1i16 n THR 75 Ca 0.20 -2.03 -0.19 0.00 -2.27 0.00 0.00 64.05 59.76 1i16 n THR 75 Cb 0.44 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i16 s VAL 76 N -3.25 1.59 -0.02 2.28 -7.23 -1.26 -4.86 120.40 107.65 1i16 s VAL 76 Ca 0.55 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1i16 s VAL 76 Cb 0.46 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1i16 s VAL 76 CO 0.09 -0.49 0.10 0.00 -0.31 0.00 0.00 175.10 174.49 1i16 s GLN 77 N -3.18 0.25 -0.45 4.82 0.00 -1.26 -5.02 119.66 114.82 1i16 s GLN 77 Ca 0.17 -0.10 -0.28 0.00 -0.00 0.00 0.00 55.36 55.15 1i16 s GLN 77 Cb -0.03 0.11 0.03 0.00 0.00 0.00 0.00 33.01 33.11 1i16 s GLN 77 CO 0.05 -0.05 1.08 -1.25 0.00 0.00 0.00 175.29 175.12 1i16 s PRO 78 N -0.53 3.73 -1.05 9.60 0.04 -1.26 -3.77 135.00 141.77 1i16 s PRO 78 Ca -0.06 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1i16 s PRO 78 Cb -0.04 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1i16 s PRO 78 CO 0.00 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1i16 n GLY 79 N 4.73 0.62 3.80 0.56 0.00 0.31 -4.80 105.19 110.41 1i16 n GLY 79 Ca 0.11 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1i16 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 80 N -2.71 5.87 -0.91 1.61 -1.08 -1.25 -4.72 116.67 113.48 1i16 s ASP 80 Ca 0.00 1.85 -0.20 0.00 -0.52 0.00 0.00 52.55 53.69 1i16 s ASP 80 Cb 0.00 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 39.03 1i16 s ASP 80 CO 0.00 -1.11 1.15 -0.70 0.52 0.00 0.00 175.17 175.03 1i16 s GLU 81 N -3.90 3.54 -0.24 4.34 2.12 -1.26 -3.03 118.70 120.27 1i16 s GLU 81 Ca 0.65 -1.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.11 1i16 s GLU 81 Cb -0.16 -4.89 0.01 0.00 0.26 0.00 0.00 34.13 29.34 1i16 s GLU 81 CO 0.34 -1.83 1.12 0.42 -0.54 0.00 0.00 175.26 174.76 1i16 s ILE 82 N 3.13 4.51 -0.08 -3.70 -1.09 -1.01 -2.40 121.20 120.57 1i16 s ILE 82 Ca 0.33 1.80 -0.17 0.00 -2.23 0.00 0.00 60.65 60.38 1i16 s ILE 82 Cb -0.06 -4.26 -0.29 0.00 -1.58 0.00 0.00 42.46 36.28 1i16 s ILE 82 CO -0.07 -0.26 0.68 -0.07 -1.23 0.00 0.00 174.94 173.99 1i16 h LEU 83 N 9.76 0.45 -8.98 2.97 -0.00 -1.73 -3.42 115.31 114.36 1i16 h LEU 83 Ca -0.21 -0.89 -0.51 0.00 -0.00 0.00 0.00 57.88 56.27 1i16 h LEU 83 Cb 1.07 -0.15 -0.15 0.00 -0.00 0.00 0.00 40.66 41.44 1i16 h LEU 83 CO 0.99 1.57 -0.75 -1.10 -0.00 0.00 0.00 178.44 179.16 1i16 s GLN 84 N -2.48 1.43 -0.47 1.13 1.11 -1.26 0.28 119.66 119.41 1i16 s GLN 84 Ca -0.17 -1.62 0.04 0.00 0.01 0.00 0.00 55.36 53.61 1i16 s GLN 84 Cb 0.03 -1.35 0.16 0.00 -1.01 0.00 0.00 33.01 30.85 1i16 s GLN 84 CO 0.80 0.24 0.35 -1.17 0.01 0.00 0.00 175.29 175.52 1i16 s LEU 85 N -3.30 2.12 -0.31 2.90 0.20 0.20 -3.16 118.68 117.33 1i16 s LEU 85 Ca 0.24 -3.12 -0.02 0.00 0.69 0.00 0.00 54.13 51.92 1i16 s LEU 85 Cb -0.03 -0.71 0.02 0.00 -0.43 0.00 0.00 46.19 45.05 1i16 s LEU 85 CO 0.09 -0.17 0.06 0.61 -0.29 0.00 0.00 176.35 176.65 1i16 n GLY 86 N 2.82 -0.05 0.00 7.98 0.00 0.79 -2.61 105.19 114.13 1i16 n GLY 86 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.91 -0.25 3.53 -0.02 0.00 -1.26 -4.47 105.19 101.82 1i16 n GLY 87 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -0.25 2.61 -1.32 -1.07 -4.30 115.64 111.31 1i16 s THR 88 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1i16 s THR 88 Cb 0.00 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 1i16 s THR 88 CO 0.00 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.33 1i16 s ALA 89 N -2.16 2.27 0.56 11.08 0.00 -1.26 0.62 121.76 132.86 1i16 s ALA 89 Ca 0.01 -1.56 0.28 0.00 0.00 0.00 0.00 51.96 50.69 1i16 s ALA 89 Cb -0.01 -1.51 1.47 0.00 0.00 0.00 0.00 23.12 23.07 1i16 s ALA 89 CO -0.03 -1.18 1.96 0.52 0.00 0.00 0.00 175.76 177.02 1i16 h MET 90 N 7.86 0.00 -7.24 0.00 2.86 0.39 -3.37 114.93 115.43 1i16 h MET 90 Ca -0.19 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 56.94 1i16 h MET 90 Cb 1.06 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.82 1i16 h MET 90 CO 0.44 0.00 0.36 -0.65 1.06 0.00 0.00 176.91 178.12 1i16 s GLN 91 N -4.84 2.73 -1.50 1.72 -0.21 -1.23 -2.84 119.66 113.49 1i16 s GLN 91 Ca -0.05 1.28 -0.17 0.00 0.02 0.00 0.00 55.36 56.44 1i16 s GLN 91 Cb 0.18 -1.95 0.16 0.00 1.00 0.00 0.00 33.01 32.40 1i16 s GLN 91 CO 0.66 -1.29 0.57 0.41 -2.12 0.00 0.00 175.29 173.52 1i16 n GLY 92 N -0.86 -0.44 3.50 3.09 0.00 -1.26 -4.87 105.19 104.34 1i16 n GLY 92 Ca 0.10 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.85 -0.36 0.00 0.99 1.43 -1.13 -5.04 118.68 107.72 1i16 s LEU 93 Ca 0.64 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1i16 s LEU 93 Cb -0.36 2.02 0.06 0.00 0.03 0.00 0.00 46.19 47.94 1i16 s LEU 93 CO 0.78 -0.21 0.19 0.41 0.23 0.00 0.00 176.35 177.75 1i16 n THR 94 N 3.17 0.00 -0.01 5.49 -1.04 -1.26 -4.77 114.28 115.85 1i16 n THR 94 Ca -0.16 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1i16 n THR 94 Cb 0.56 -0.83 -0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 0.00 -0.68 -2.82 1.12 -1.90 -2.96 114.38 107.14 1i16 h ARG 95 Ca -0.07 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.85 1i16 h ARG 95 Cb 0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.13 1i16 h ARG 95 CO 0.05 0.00 0.39 0.27 -3.11 0.00 0.00 179.97 177.56 1i16 h PHE 96 N -0.29 0.71 -0.64 2.20 -5.15 -1.93 -2.21 116.94 109.63 1i16 h PHE 96 Ca 0.00 0.02 0.09 0.00 -0.20 0.00 0.00 57.97 57.89 1i16 h PHE 96 Cb 0.00 -0.22 -0.11 0.00 0.22 0.00 0.00 35.95 35.84 1i16 h PHE 96 CO -0.00 0.35 -0.45 1.49 -2.00 0.00 0.00 178.31 177.69 1i16 h GLU 97 N 0.71 -0.19 0.70 6.09 4.81 -1.94 0.30 114.58 125.07 1i16 h GLU 97 Ca 0.30 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1i16 h GLU 97 Cb 0.17 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1i16 h GLU 97 CO -0.18 -0.13 -0.38 0.00 -0.73 0.00 0.00 179.01 177.59 1i16 h ALA 98 N 0.63 -1.24 -0.67 2.92 0.00 -1.23 -2.06 119.26 117.62 1i16 h ALA 98 Ca 0.18 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1i16 h ALA 98 Cb 0.55 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1i16 h ALA 98 CO -0.73 -1.18 0.71 2.35 0.00 0.00 0.00 179.25 180.40 1i16 h TRP 99 N -1.00 0.00 0.02 0.00 -0.00 -0.94 -1.22 115.95 112.81 1i16 h TRP 99 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.79 1i16 h TRP 99 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.94 1i16 h TRP 99 CO -0.01 0.00 -0.01 -0.91 -0.00 0.00 0.00 178.44 177.51 1i16 h ASN 100 N 0.00 -0.03 -1.00 2.65 2.35 0.27 -3.02 115.58 116.80 1i16 h ASN 100 Ca 0.32 -0.72 0.23 0.00 -0.55 0.00 0.00 56.30 55.58 1i16 h ASN 100 Cb 1.73 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 39.99 1i16 h ASN 100 CO -0.00 0.75 0.60 0.40 -1.65 0.00 0.00 177.43 177.52 1i16 h ILE 101 N -0.84 0.58 0.31 2.81 5.03 -0.72 -0.73 117.51 123.95 1i16 h ILE 101 Ca -0.00 -0.22 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 1i16 h ILE 101 Cb 0.74 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 1i16 h ILE 101 CO 0.00 0.12 -0.15 0.40 -0.68 0.00 0.00 178.15 177.84 1i16 h ILE 102 N 0.63 0.00 -1.70 -0.67 5.03 -1.56 -1.52 117.51 117.72 1i16 h ILE 102 Ca 0.63 -0.02 0.49 0.00 -0.12 0.00 0.00 64.86 65.84 1i16 h ILE 102 Cb 1.13 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.85 1i16 h ILE 102 CO -0.45 0.00 1.23 0.11 -0.68 0.00 0.00 178.15 178.36 1i16 h LYS 103 N -0.43 0.00 -0.13 2.37 1.79 -1.24 0.69 116.57 119.61 1i16 h LYS 103 Ca -0.04 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 1i16 h LYS 103 Cb 0.32 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1i16 h LYS 103 CO 0.07 0.00 -0.60 0.00 -1.08 0.00 0.00 179.45 177.84 1i16 h ALA 104 N 1.14 0.24 -1.63 3.86 0.00 -0.56 -3.45 119.26 118.86 1i16 h ALA 104 Ca 0.81 -0.54 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 1i16 h ALA 104 Cb 3.26 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 21.21 1i16 h ALA 104 CO -0.01 0.49 -0.37 1.28 0.00 0.00 0.00 179.25 180.64 1i16 n LEU 105 N -4.13 -1.30 -4.93 0.00 4.32 0.24 -4.99 117.00 106.21 1i16 n LEU 105 Ca -0.08 -0.44 -0.30 0.00 -0.02 0.00 0.00 56.01 55.17 1i16 n LEU 105 Cb 0.65 -0.86 0.21 0.00 -1.62 0.00 0.00 43.42 41.80 1i16 n LEU 105 CO 0.49 -3.52 0.90 -2.16 -1.22 0.00 0.00 177.39 171.87 1i16 s PRO 106 N -3.83 0.29 -0.83 3.23 0.04 -1.26 -5.00 135.00 127.63 1i16 s PRO 106 Ca 0.47 -0.53 -0.16 0.00 0.04 0.00 0.00 61.00 60.82 1i16 s PRO 106 Cb -0.09 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.82 1i16 s PRO 106 CO 0.45 -2.64 0.85 -0.51 0.04 0.00 0.00 177.00 175.19 1i16 s ASP 107 N -4.95 6.68 0.00 6.66 1.11 -1.26 -4.82 116.67 120.09 1i16 s ASP 107 Ca 0.77 -2.42 0.00 0.00 0.18 0.00 0.00 52.55 51.08 1i16 s ASP 107 Cb -0.02 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1i16 s ASP 107 CO 0.54 -0.75 0.00 0.61 1.18 0.00 0.00 175.17 176.75 1i16 n GLY 108 N 4.50 5.28 3.55 0.21 0.00 -1.25 -4.75 105.19 112.73 1i16 n GLY 108 Ca 0.14 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 1.97 3.01 -0.45 1.61 0.04 -1.26 0.66 135.00 140.58 1i16 s PRO 109 Ca 0.00 -0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.78 1i16 s PRO 109 Cb 0.00 -4.36 0.02 0.00 0.04 0.00 0.00 34.50 30.21 1i16 s PRO 109 CO 0.00 -2.39 0.81 0.54 0.04 0.00 0.00 177.00 176.00 1i16 s VAL 110 N 6.93 4.63 -0.22 -0.36 0.11 -1.26 -4.89 120.40 125.34 1i16 s VAL 110 Ca 0.47 0.51 -0.21 0.00 -2.93 0.00 0.00 61.98 59.82 1i16 s VAL 110 Cb -0.09 -4.33 -0.02 0.00 -1.53 0.00 0.00 36.38 30.41 1i16 s VAL 110 CO 0.15 -0.72 0.65 -0.89 -3.33 0.00 0.00 175.10 170.95 1i16 s THR 111 N 3.35 4.99 0.16 5.04 2.01 -1.26 0.92 115.64 130.86 1i16 s THR 111 Ca 0.31 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.55 1i16 s THR 111 Cb -0.12 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1i16 s THR 111 CO 0.23 0.07 0.21 0.27 -0.69 0.00 0.00 174.62 174.71 1i16 s ILE 112 N 2.19 4.87 -0.41 1.82 -4.36 0.95 0.28 121.20 126.55 1i16 s ILE 112 Ca 0.28 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1i16 s ILE 112 Cb -0.16 -3.51 0.13 0.00 1.25 0.00 0.00 42.46 40.17 1i16 s ILE 112 CO 0.09 -0.12 0.21 -0.69 0.24 0.00 0.00 174.94 174.67 1i16 s VAL 113 N -1.77 1.24 -0.06 8.37 1.01 -1.19 -0.11 120.40 127.89 1i16 s VAL 113 Ca 0.33 -2.28 -0.19 0.00 0.00 0.00 0.00 61.98 59.83 1i16 s VAL 113 Cb -0.10 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1i16 s VAL 113 CO 0.26 -0.85 0.54 0.27 0.00 0.00 0.00 175.10 175.32 1i16 s ILE 114 N 0.65 5.06 -0.37 2.22 -5.25 -1.22 -2.14 121.20 120.15 1i16 s ILE 114 Ca 0.16 1.12 0.04 0.00 -0.99 0.00 0.00 60.65 60.98 1i16 s ILE 114 Cb -0.23 -3.88 0.11 0.00 2.95 0.00 0.00 42.46 41.40 1i16 s ILE 114 CO -0.04 0.37 0.09 -0.60 -1.79 0.00 0.00 174.94 172.96 1i16 s ARG 115 N 0.24 1.57 0.05 0.37 3.52 -1.01 0.22 118.95 123.91 1i16 s ARG 115 Ca 0.29 -2.01 -0.13 0.00 -0.13 0.00 0.00 55.73 53.75 1i16 s ARG 115 Cb -0.17 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 29.93 1i16 s ARG 115 CO 0.14 -0.97 0.43 -0.98 -0.81 0.00 0.00 175.30 173.11 1i16 s ARG 116 N 0.70 3.87 -0.96 5.12 1.70 -0.17 -4.03 118.95 125.18 1i16 s ARG 116 Ca 0.12 0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 55.71 1i16 s ARG 116 Cb -0.20 -3.11 0.30 0.00 -0.57 0.00 0.00 34.95 31.37 1i16 s ARG 116 CO -0.07 0.62 1.33 1.63 -1.08 0.00 0.00 175.30 177.73 1i16 n LYS 117 N 1.37 4.09 -4.13 3.89 4.01 -1.26 -0.91 118.16 125.22 1i16 n LYS 117 Ca -0.11 -4.60 -0.30 0.00 -0.51 0.00 0.00 58.31 52.79 1i16 n LYS 117 Cb 0.52 -2.44 -0.04 0.00 -0.51 0.00 0.00 35.03 32.56 1i16 n LYS 117 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1i16 n SER 118 N 1.05 -0.92 -3.47 4.39 2.88 -1.26 -4.08 113.62 112.20 1i16 n SER 118 Ca 0.29 -1.07 -0.05 0.00 -1.33 0.00 0.00 58.87 56.71 1i16 n SER 118 Cb 0.34 -2.61 0.00 0.00 -0.75 0.00 0.00 64.21 61.20 1i16 n SER 118 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1i16 s LEU 119 N -7.15 -0.08 -0.82 2.46 1.02 -1.26 -4.92 118.68 107.92 1i16 s LEU 119 Ca 0.24 -0.66 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 1i16 s LEU 119 Cb -0.13 2.31 0.00 0.00 0.02 0.00 0.00 46.19 48.39 1i16 s LEU 119 CO 0.93 -1.12 0.70 0.00 0.02 0.00 0.00 176.35 176.88 1i16 n GLN 120 N -0.56 -4.66 0.00 1.70 1.13 -1.26 -4.95 117.38 108.77 1i16 n GLN 120 Ca -0.05 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 1i16 n GLN 120 Cb 0.60 -4.73 0.00 0.00 0.11 0.00 0.00 30.24 26.22 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1i16 n SER 121 N -2.11 0.00 0.00 1.08 7.64 -1.26 -4.70 113.62 114.27 1i16 n SER 121 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1i16 n SER 121 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1i16 n SER 121 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1i16 n LYS 122 N 0.00 0.00 -4.01 1.43 0.00 -1.26 -5.14 118.16 109.17 1i16 n LYS 122 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1i16 n LYS 122 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1i16 n LYS 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1i16 s GLU 123 N 0.00 3.31 0.00 -1.58 -6.30 -1.26 -4.92 118.70 107.95 1i16 s GLU 123 Ca 0.00 -0.21 0.00 0.00 -2.50 0.00 0.00 54.97 52.26 1i16 s GLU 123 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 34.13 31.05 1i16 s GLU 123 CO 0.00 0.76 0.00 2.41 0.02 0.00 0.00 175.26 178.45 1i16 n THR 124 N 2.00 0.00 0.00 -1.70 -1.04 -1.26 -4.97 114.28 107.31 1i16 n THR 124 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1i16 n THR 124 Cb 0.55 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1i16 n THR 124 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1i16 n THR 125 N -1.92 0.00 -1.45 12.58 -2.24 -1.26 -4.50 114.28 115.49 1i16 n THR 125 Ca 0.00 1.42 -0.39 0.00 -2.27 0.00 0.00 64.05 62.81 1i16 n THR 125 Cb 0.00 -2.08 0.03 0.00 -2.10 0.00 0.00 70.33 66.18 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 126 N -2.41 -1.34 -2.71 6.98 0.00 -1.26 -4.95 120.51 114.81 1i16 n ALA 126 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1i16 n ALA 126 Cb 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 19.45 17.71 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 127 N -1.47 -2.57 0.00 0.00 0.00 -1.26 -5.06 120.51 110.16 1i16 n ALA 127 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1i16 n ALA 127 Cb 0.46 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.04 -1.85 5.05 0.00 0.00 -1.26 -5.03 105.19 104.13 1i16 n GLY 128 Ca 0.09 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1i16 n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 129 N 0.00 0.00 -0.42 1.61 8.00 -1.26 -5.33 116.55 119.15 1i16 n ASP 129 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1i16 n ASP 129 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27