#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 1.84 -0.30 3.15 0.11 -1.26 0.19 120.40 124.14 1ivm s VAL 2 Ca 0.00 -1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 57.91 1ivm s VAL 2 Cb 0.00 -1.53 0.14 0.00 -1.53 0.00 0.00 36.38 33.46 1ivm s VAL 2 CO 0.00 0.52 0.86 -0.31 -3.33 0.00 0.00 175.10 172.84 1ivm s TYR 3 N -0.54 -0.88 0.37 1.54 2.02 0.57 -4.92 117.35 115.51 1ivm s TYR 3 Ca 0.09 1.59 0.07 0.00 -0.37 0.00 0.00 57.07 58.45 1ivm s TYR 3 Cb -0.09 0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 41.98 1ivm s TYR 3 CO -0.01 -0.44 0.41 -1.83 -1.57 0.00 0.00 175.55 172.11 1ivm s GLU 4 N 2.26 2.77 0.17 -0.62 -1.05 -1.26 0.26 118.70 121.23 1ivm s GLU 4 Ca -0.06 -1.29 -0.25 0.00 -0.15 0.00 0.00 54.97 53.22 1ivm s GLU 4 Cb -0.07 -2.57 0.02 0.00 -0.44 0.00 0.00 34.13 31.07 1ivm s GLU 4 CO -0.18 -0.06 1.45 2.89 0.95 0.00 0.00 175.26 180.32 1ivm n ARG 5 N -1.57 -0.36 0.00 -4.83 1.85 -1.26 0.14 116.66 110.63 1ivm n ARG 5 Ca 0.02 1.43 0.00 0.00 -1.00 0.00 0.00 57.85 58.30 1ivm n ARG 5 Cb 0.60 -2.11 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ivm n GLU 7 N -1.26 -0.18 -0.38 0.00 4.71 -0.81 0.23 120.64 122.95 1ivm n GLU 7 Ca 0.00 0.99 -0.04 0.00 -0.01 0.00 0.00 57.16 58.09 1ivm n GLU 7 Cb 0.00 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 28.96 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ivm h PHE 8 N 0.00 -1.34 0.09 -0.32 3.57 0.13 0.50 116.94 119.57 1ivm h PHE 8 Ca 0.07 0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1ivm h PHE 8 Cb 0.17 0.72 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1ivm h PHE 8 CO -0.77 -0.40 -0.27 0.00 -2.23 0.00 0.00 178.31 174.64 1ivm h ALA 9 N 1.08 -0.44 -0.19 2.41 0.00 0.27 0.40 119.26 122.79 1ivm h ALA 9 Ca 0.28 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ivm h ALA 9 Cb 0.54 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1ivm h ALA 9 CO -0.96 -0.80 -0.54 -0.09 0.00 0.00 0.00 179.25 176.86 1ivm h ARG 10 N -0.47 -0.53 0.10 0.00 9.65 0.29 0.33 114.38 123.76 1ivm h ARG 10 Ca 0.04 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1ivm h ARG 10 Cb 0.51 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.16 1ivm h ARG 10 CO -0.17 -0.35 -0.39 1.15 2.80 0.00 0.00 179.97 183.01 1ivm h THR 11 N -0.55 0.21 -0.76 0.20 2.02 0.10 0.73 112.91 114.86 1ivm h THR 11 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.38 1ivm h THR 11 Cb 0.67 0.21 -0.14 0.00 -1.74 0.00 0.00 68.15 67.14 1ivm h THR 11 CO -0.47 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 175.53 1ivm h LEU 12 N -0.61 -0.62 -1.18 2.58 5.85 0.40 1.94 115.31 123.68 1ivm h LEU 12 Ca 0.03 0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1ivm h LEU 12 Cb 0.64 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1ivm h LEU 12 CO -0.24 -0.24 -0.27 0.50 -0.34 0.00 0.00 178.44 177.85 1ivm h LYS 13 N 0.02 0.23 0.00 1.25 3.11 0.62 1.09 116.57 122.90 1ivm h LYS 13 Ca 0.38 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 58.06 1ivm h LYS 13 Cb 0.61 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1ivm h LYS 13 CO -0.76 0.49 -0.41 -0.09 -2.81 0.00 0.00 179.45 175.87 1ivm h ARG 14 N 0.21 0.00 0.13 1.90 2.43 0.83 -3.20 114.38 116.68 1ivm h ARG 14 Ca 0.03 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.84 1ivm h ARG 14 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1ivm h ARG 14 CO 0.04 0.41 -1.96 -0.97 -1.51 0.00 0.00 179.97 175.99 1ivm h ASN 15 N 0.00 0.44 0.00 -3.80 -0.73 0.32 -3.49 115.58 108.32 1ivm h ASN 15 Ca -0.00 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.21 1ivm h ASN 15 Cb 1.03 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1ivm h ASN 15 CO 0.05 1.85 0.00 0.61 -0.37 0.00 0.00 177.43 179.57 1ivm n GLY 16 N 1.97 0.78 0.00 1.57 0.00 0.35 -5.06 105.19 104.81 1ivm n GLY 16 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ivm n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N 0.00 0.30 -1.45 1.61 2.81 0.33 -4.86 117.12 115.85 1ivm n MET 17 Ca 0.00 0.00 -0.49 0.00 -1.81 0.00 0.00 57.70 55.40 1ivm n MET 17 Cb 0.00 -0.89 -0.07 0.00 -0.71 0.00 0.00 33.22 31.54 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm n ALA 18 N -2.23 1.00 -2.13 3.04 0.00 -1.22 0.96 120.51 119.93 1ivm n ALA 18 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ivm n ALA 18 Cb 0.39 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.54 0.70 3.02 0.00 0.00 -1.22 -4.70 105.19 109.54 1ivm n GLY 19 Ca 0.43 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -3.13 -1.95 -0.28 1.61 9.36 0.27 -4.69 117.16 118.37 1ivm n TYR 20 Ca 0.00 0.18 0.11 0.00 3.32 0.00 0.00 57.90 61.51 1ivm n TYR 20 Cb 0.47 -1.41 0.22 0.00 -0.63 0.00 0.00 39.34 37.99 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.12 0.48 0.05 2.98 4.02 -1.26 -3.83 117.16 115.47 1ivm n TYR 21 Ca 0.03 0.96 0.00 0.00 -0.01 0.00 0.00 57.90 58.88 1ivm n TYR 21 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ivm n GLY 22 N -1.41 -0.07 3.66 2.72 0.00 -1.26 -5.03 105.19 103.80 1ivm n GLY 22 Ca 0.18 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.67 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.31 0.22 -3.37 1.61 0.31 -1.25 -4.93 118.33 107.61 1ivm n VAL 23 Ca 0.00 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 63.95 1ivm n VAL 23 Cb 0.12 -1.25 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ivm s SER 24 N 2.35 6.76 0.25 4.52 0.01 -1.26 0.44 113.70 126.78 1ivm s SER 24 Ca 0.91 1.03 -0.03 0.00 1.31 0.00 0.00 55.95 59.16 1ivm s SER 24 Cb -0.92 -2.27 0.52 0.00 0.21 0.00 0.00 66.02 63.56 1ivm s SER 24 CO 0.54 0.04 1.69 0.25 0.41 0.00 0.00 173.24 176.17 1ivm h LEU 25 N 3.19 0.09 -0.47 2.44 5.85 -1.84 0.56 115.31 125.13 1ivm h LEU 25 Ca -0.48 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1ivm h LEU 25 Cb 1.18 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1ivm h LEU 25 CO 0.67 -0.02 0.25 0.00 -0.34 0.00 0.00 178.44 179.00 1ivm h ALA 26 N 1.63 0.60 -0.34 1.25 0.00 -1.93 0.23 119.26 120.70 1ivm h ALA 26 Ca 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1ivm h ALA 26 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ivm h ALA 26 CO -0.51 -0.09 0.03 0.22 0.00 0.00 0.00 179.25 178.89 1ivm h ASP 27 N 0.49 0.47 0.61 0.00 3.58 -0.76 0.57 116.42 121.39 1ivm h ASP 27 Ca 0.20 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1ivm h ASP 27 Cb 0.09 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1ivm h ASP 27 CO -0.13 0.52 -0.29 -0.50 -2.88 0.00 0.00 179.24 175.96 1ivm h TRP 28 N 0.49 -0.76 0.42 0.28 -0.00 0.16 0.26 115.95 116.80 1ivm h TRP 28 Ca 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.97 1ivm h TRP 28 Cb 0.28 0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.67 1ivm h TRP 28 CO 0.01 -0.48 -0.50 0.28 -0.00 0.00 0.00 178.44 177.76 1ivm h VAL 29 N -0.98 0.04 -0.70 1.49 2.07 -0.47 0.24 116.25 117.93 1ivm h VAL 29 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1ivm h VAL 29 Cb 0.63 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1ivm h VAL 29 CO 0.14 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.24 1ivm h LEU 31 N -0.17 -0.26 -1.94 0.00 6.46 0.01 1.38 115.31 120.79 1ivm h LEU 31 Ca 0.18 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1ivm h LEU 31 Cb 0.54 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1ivm h LEU 31 CO -0.77 -0.11 -0.10 0.00 -0.62 0.00 0.00 178.44 176.84 1ivm h ALA 32 N 1.56 1.21 0.16 1.25 0.00 0.37 -0.62 119.26 123.19 1ivm h ALA 32 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ivm h ALA 32 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ivm h ALA 32 CO -0.52 0.12 -0.07 0.37 0.00 0.00 0.00 179.25 179.14 1ivm h GLN 33 N 0.00 -0.20 -0.14 0.00 5.75 1.15 0.13 115.11 121.80 1ivm h GLN 33 Ca -0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1ivm h GLN 33 Cb 0.34 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1ivm h GLN 33 CO 0.01 0.05 0.14 1.25 -2.65 0.00 0.00 178.83 177.64 1ivm h HIS 34 N -1.01 0.00 0.24 3.99 2.76 0.12 -2.57 115.15 118.68 1ivm h HIS 34 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1ivm h HIS 34 CO 0.05 0.00 -0.11 0.93 -1.30 0.00 0.00 177.93 177.49 1ivm h GLU 35 N 0.00 -0.31 0.00 5.26 4.39 -1.14 -3.49 114.58 119.29 1ivm h GLU 35 Ca 0.07 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ivm h GLU 35 Cb 0.35 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1ivm h GLU 35 CO -0.00 -0.21 0.00 0.45 -1.16 0.00 0.00 179.01 178.09 1ivm n SER 36 N -4.99 -0.77 -0.91 1.42 2.88 -0.41 -4.91 113.62 105.94 1ivm n SER 36 Ca -0.04 0.40 0.08 0.00 -1.33 0.00 0.00 58.87 57.98 1ivm n SER 36 Cb 0.13 0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 64.56 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.64 -5.41 0.00 -3.46 5.15 0.32 -4.71 115.26 104.51 1ivm n ASN 37 Ca 0.00 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1ivm n ASN 37 Cb 0.00 -1.83 0.00 0.00 -0.53 0.00 0.00 39.78 37.42 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ivm n TYR 38 N -2.54 0.00 -4.04 1.20 4.01 0.73 -4.55 117.16 111.97 1ivm n TYR 38 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1ivm n TYR 38 Cb 0.28 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.20 1ivm n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ivm s ASN 39 N 0.00 0.39 -0.83 7.72 3.84 -1.26 0.21 114.94 125.02 1ivm s ASN 39 Ca 0.00 -0.73 -0.01 0.00 0.21 0.00 0.00 52.86 52.33 1ivm s ASN 39 Cb 0.00 0.14 0.35 0.00 -0.55 0.00 0.00 41.25 41.19 1ivm s ASN 39 CO 0.00 -0.43 1.91 0.35 -2.79 0.00 0.00 177.10 176.14 1ivm n THR 40 N 0.91 3.75 0.20 -5.21 -2.24 0.13 -4.55 114.28 107.27 1ivm n THR 40 Ca -0.19 -4.55 0.12 0.00 -2.27 0.00 0.00 64.05 57.15 1ivm n THR 40 Cb 0.58 -1.28 0.13 0.00 -2.10 0.00 0.00 70.33 67.66 1ivm n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ivm h ARG 41 N 3.09 0.00 -5.15 -0.78 2.43 -1.91 -3.42 114.38 108.64 1ivm h ARG 41 Ca 0.54 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 59.29 1ivm h ARG 41 Cb 0.14 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1ivm h ARG 41 CO 1.35 0.00 1.63 0.00 -1.51 0.00 0.00 179.97 181.44 1ivm n ALA 42 N -2.11 0.58 -3.71 2.80 0.00 -1.26 -4.83 120.51 111.97 1ivm n ALA 42 Ca 0.03 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 1ivm n ALA 42 Cb 0.53 -2.59 -0.18 0.00 0.00 0.00 0.00 19.45 17.22 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 8.19 0.10 -0.35 0.00 -4.23 -1.26 0.25 115.64 118.34 1ivm s THR 43 Ca 1.23 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1ivm s THR 43 Cb -0.84 -0.31 0.14 0.00 1.34 0.00 0.00 72.50 72.84 1ivm s THR 43 CO 0.42 0.21 0.23 0.21 -0.54 0.00 0.00 174.62 175.15 1ivm s ASN 44 N 1.97 2.74 0.34 3.99 2.47 0.37 -4.94 114.94 121.88 1ivm s ASN 44 Ca 0.03 -2.17 -0.08 0.00 0.42 0.00 0.00 52.86 51.06 1ivm s ASN 44 Cb -0.12 -0.31 -0.06 0.00 -1.45 0.00 0.00 41.25 39.31 1ivm s ASN 44 CO -0.04 -0.30 0.66 -0.72 -3.72 0.00 0.00 177.10 172.99 1ivm s TYR 45 N 1.07 3.46 -0.29 0.43 -0.85 -1.26 0.19 117.35 120.10 1ivm s TYR 45 Ca 0.19 0.87 0.02 0.00 -0.52 0.00 0.00 57.07 57.63 1ivm s TYR 45 Cb -0.21 -2.29 0.19 0.00 0.38 0.00 0.00 41.96 40.03 1ivm s TYR 45 CO -0.00 0.04 0.65 -0.80 -1.52 0.00 0.00 175.55 173.92 1ivm s ASN 46 N -3.06 -1.42 0.18 -0.18 -0.87 0.16 -4.92 114.94 104.82 1ivm s ASN 46 Ca 0.48 0.39 0.04 0.00 -1.57 0.00 0.00 52.86 52.20 1ivm s ASN 46 Cb -0.11 1.99 0.02 0.00 -0.02 0.00 0.00 41.25 43.14 1ivm s ASN 46 CO 0.29 -0.26 1.40 -0.09 -2.57 0.00 0.00 177.10 175.87 1ivm h ARG 47 N 7.94 0.14 -1.29 -0.60 2.43 -1.94 0.47 114.38 121.52 1ivm h ARG 47 Ca -0.09 -0.15 0.41 0.00 -0.81 0.00 0.00 59.98 59.34 1ivm h ARG 47 Cb 1.18 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.68 1ivm h ARG 47 CO 0.15 0.91 0.88 0.41 -1.51 0.00 0.00 179.97 180.81 1ivm n GLY 48 N 0.84 -0.71 1.83 2.80 0.00 -1.26 0.18 105.19 108.87 1ivm n GLY 48 Ca -0.03 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.58 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -3.92 1.44 -3.98 1.61 -0.08 -1.23 -4.99 116.55 105.40 1ivm n ASP 49 Ca 0.33 -2.28 -0.29 0.00 -1.51 0.00 0.00 54.79 51.03 1ivm n ASP 49 Cb 1.39 -0.38 -0.05 0.00 2.34 0.00 0.00 41.12 44.42 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N -0.05 -0.75 -3.99 -0.67 -0.06 0.47 -4.91 117.38 107.43 1ivm n GLN 50 Ca 0.10 0.02 -0.13 0.00 -2.00 0.00 0.00 57.00 54.99 1ivm n GLN 50 Cb 0.99 -2.47 -0.14 0.00 -4.06 0.00 0.00 30.24 24.56 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -4.01 0.27 -0.05 1.69 1.04 0.16 -4.42 113.70 108.38 1ivm s SER 51 Ca 0.14 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1ivm s SER 51 Cb -0.08 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.06 1ivm s SER 51 CO 0.79 0.01 0.10 -0.89 0.98 0.00 0.00 173.24 174.23 1ivm s THR 52 N -0.13 -0.05 -0.36 2.02 2.01 -1.26 0.38 115.64 118.24 1ivm s THR 52 Ca -0.00 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 1ivm s THR 52 Cb -0.01 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.39 1ivm s THR 52 CO -0.00 0.08 0.11 -1.81 -0.69 0.00 0.00 174.62 172.31 1ivm s ASP 53 N 1.15 5.16 0.20 3.53 1.11 0.51 0.28 116.67 128.61 1ivm s ASP 53 Ca -0.09 -1.54 -0.15 0.00 0.18 0.00 0.00 52.55 50.94 1ivm s ASP 53 Cb -0.12 -1.80 0.01 0.00 1.07 0.00 0.00 42.92 42.08 1ivm s ASP 53 CO -0.05 -0.40 0.48 -0.72 1.18 0.00 0.00 175.17 175.67 1ivm s TYR 54 N 1.25 0.06 0.00 4.23 1.13 0.96 0.14 117.35 125.12 1ivm s TYR 54 Ca 0.01 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1ivm s TYR 54 Cb -0.21 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 1ivm s TYR 54 CO -0.01 -0.92 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 1ivm n GLY 55 N -0.33 3.24 0.46 5.49 0.00 0.14 -0.14 105.19 114.04 1ivm n GLY 55 Ca -0.08 -1.81 0.28 0.00 0.00 0.00 0.00 46.02 44.41 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.50 -0.50 -0.61 2.10 -1.83 1.56 117.51 118.72 1ivm h ILE 56 Ca 0.00 -0.07 -0.07 0.00 1.08 0.00 0.00 64.86 65.81 1ivm h ILE 56 Cb 0.00 0.28 -0.04 0.00 -1.09 0.00 0.00 36.82 35.97 1ivm h ILE 56 CO 0.00 0.04 0.07 0.49 -1.08 0.00 0.00 178.15 177.66 1ivm n PHE 57 N -4.41 1.77 -3.25 2.19 3.72 -1.26 -4.04 117.46 112.18 1ivm n PHE 57 Ca 0.24 -0.95 -0.28 0.00 -0.05 0.00 0.00 57.45 56.41 1ivm n PHE 57 Cb 1.00 -0.50 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N -0.04 -1.41 -4.21 -1.08 7.27 0.53 -4.95 117.38 113.50 1ivm n GLN 58 Ca 0.30 1.17 -0.31 0.00 0.07 0.00 0.00 57.00 58.22 1ivm n GLN 58 Cb 1.15 -1.61 -0.08 0.00 2.41 0.00 0.00 30.24 32.10 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -1.24 4.12 0.02 1.69 1.01 0.80 -4.77 121.20 122.82 1ivm s ILE 59 Ca 0.27 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1ivm s ILE 59 Cb -0.03 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.49 1ivm s ILE 59 CO 0.62 0.26 0.51 0.20 0.00 0.00 0.00 174.94 176.52 1ivm s ASN 60 N -1.92 6.93 0.00 3.58 -0.87 -1.25 -0.03 114.94 121.38 1ivm s ASN 60 Ca 0.23 1.10 0.24 0.00 -1.57 0.00 0.00 52.86 52.86 1ivm s ASN 60 Cb -0.12 -2.32 0.84 0.00 -0.02 0.00 0.00 41.25 39.63 1ivm s ASN 60 CO 0.14 0.24 1.61 -0.24 -2.57 0.00 0.00 177.10 176.29 1ivm n SER 61 N 2.09 1.77 -0.62 -1.22 2.88 0.79 -2.39 113.62 116.93 1ivm n SER 61 Ca -0.11 -1.65 0.07 0.00 -1.33 0.00 0.00 58.87 55.85 1ivm n SER 61 Cb 0.51 -0.06 0.21 0.00 -0.75 0.00 0.00 64.21 64.12 1ivm n SER 61 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ivm n ARG 62 N 0.38 1.78 0.00 -1.46 1.85 -1.26 -4.42 116.66 113.53 1ivm n ARG 62 Ca 0.18 -1.20 0.00 0.00 -1.00 0.00 0.00 57.85 55.82 1ivm n ARG 62 Cb 0.37 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 1ivm n ARG 62 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ivm n TYR 63 N 0.46 -1.07 -4.03 2.89 4.01 -1.24 -4.32 117.16 113.85 1ivm n TYR 63 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.64 1ivm n TYR 63 Cb 0.30 0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.69 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1ivm s TRP 64 N -1.83 2.83 0.53 -0.72 0.51 -1.00 0.14 118.94 119.40 1ivm s TRP 64 Ca 0.00 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.69 1ivm s TRP 64 Cb 0.00 -1.60 0.00 0.00 -0.81 0.00 0.00 33.47 31.06 1ivm s TRP 64 CO 0.00 0.35 0.00 0.00 -0.51 0.00 0.00 176.95 176.79 1ivm n ASN 66 N -1.02 3.18 0.00 0.00 0.23 -0.26 -4.32 115.26 113.08 1ivm n ASN 66 Ca 0.00 -3.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 1ivm n ASN 66 Cb 0.04 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1ivm n ASP 67 N -1.30 0.39 0.00 0.53 -0.08 -1.26 -0.98 116.55 113.86 1ivm n ASP 67 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1ivm n ASP 67 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 2.08 0.45 0.11 0.27 0.00 -1.26 -4.88 105.19 101.96 1ivm n GLY 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N -1.89 2.89 -3.72 1.61 5.02 -1.26 -4.84 118.16 115.98 1ivm n LYS 69 Ca 0.00 -0.38 -0.30 0.00 -2.02 0.00 0.00 58.31 55.62 1ivm n LYS 69 Cb 0.00 -0.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ivm s THR 70 N -1.11 1.37 -0.61 -0.18 2.01 -1.26 -5.00 115.64 110.86 1ivm s THR 70 Ca 0.04 -2.46 -0.06 0.00 0.31 0.00 0.00 61.69 59.52 1ivm s THR 70 Cb 0.05 -1.96 -0.13 0.00 0.01 0.00 0.00 72.50 70.46 1ivm s THR 70 CO 0.17 -0.88 2.66 -0.81 -0.69 0.00 0.00 174.62 175.07 1ivm n PRO 71 N 3.65 2.14 0.09 4.92 -0.04 -1.26 -3.47 135.00 141.04 1ivm n PRO 71 Ca 0.08 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1ivm n PRO 71 Cb 0.35 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 3.28 0.00 -0.98 0.54 3.00 -1.26 -5.10 116.66 116.15 1ivm n ARG 72 Ca 0.46 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.94 1ivm n ARG 72 Cb 0.43 -0.13 0.05 0.00 0.00 0.00 0.00 32.46 32.81 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 73 N -3.23 -5.20 -2.58 7.54 0.00 -1.23 -4.90 120.51 110.92 1ivm n ALA 73 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 1ivm n ALA 73 Cb 0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -2.67 2.45 -1.36 0.00 3.14 -1.26 -5.03 118.33 113.61 1ivm n VAL 74 Ca -0.01 -5.01 -0.34 0.00 -2.96 0.00 0.00 64.34 56.02 1ivm n VAL 74 Cb 0.56 -1.23 -0.15 0.00 -1.06 0.00 0.00 33.84 31.97 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N -0.41 -0.06 0.04 6.55 6.94 -0.64 -4.46 115.26 123.22 1ivm n ASN 75 Ca 0.36 0.03 0.13 0.00 -0.02 0.00 0.00 54.58 55.08 1ivm n ASN 75 Cb 0.61 -0.76 0.38 0.00 -2.36 0.00 0.00 39.78 37.65 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm n ALA 76 N 8.59 2.74 0.00 -2.53 0.00 0.37 -3.47 120.51 126.20 1ivm n ALA 76 Ca 0.60 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 1ivm n ALA 76 Cb 0.05 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1ivm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivm n GLY 78 N 1.91 -0.21 3.13 0.00 0.00 -1.23 -4.91 105.19 103.88 1ivm n GLY 78 Ca -0.29 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.22 0.07 0.06 -0.61 -0.00 -1.26 -4.99 121.20 111.25 1ivm s ILE 79 Ca 0.17 -0.62 -0.33 0.00 -0.00 0.00 0.00 60.65 59.88 1ivm s ILE 79 Cb -0.02 -0.46 -0.12 0.00 -0.00 0.00 0.00 42.46 41.86 1ivm s ILE 79 CO 0.44 -0.34 1.80 0.59 -0.00 0.00 0.00 174.94 177.42 1ivm n ASN 80 N 1.49 3.64 -0.26 4.36 3.02 -1.26 -1.10 115.26 125.15 1ivm n ASN 80 Ca -0.22 1.00 0.21 0.00 -0.03 0.00 0.00 54.58 55.54 1ivm n ASN 80 Cb 0.56 -1.46 0.53 0.00 -0.61 0.00 0.00 39.78 38.80 1ivm n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ivm h SER 82 N 0.37 0.00 0.17 0.00 0.87 -1.87 0.22 113.55 113.30 1ivm h SER 82 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1ivm h SER 82 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1ivm h SER 82 CO -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.12 1ivm h ALA 83 N 1.98 1.00 -0.21 6.23 0.00 0.17 0.90 119.26 129.34 1ivm h ALA 83 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ivm h ALA 83 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ivm h ALA 83 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ivm n LEU 84 N -2.31 3.06 -0.08 0.00 4.77 0.76 -4.01 117.00 119.19 1ivm n LEU 84 Ca -0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1ivm n LEU 84 Cb 0.08 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ivm n LEU 84 CO 0.13 0.59 0.28 0.18 -1.33 0.00 0.00 177.39 177.24 1ivm n LEU 85 N 1.29 0.23 0.00 2.23 4.77 0.22 -4.12 117.00 121.62 1ivm n LEU 85 Ca 0.17 -0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 1ivm n LEU 85 Cb 0.57 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1ivm n LEU 85 CO 0.15 0.10 0.15 0.00 -1.33 0.00 0.00 177.39 176.46 1ivm n GLN 86 N -0.07 0.32 0.00 3.23 1.13 0.25 -4.79 117.38 117.45 1ivm n GLN 86 Ca 0.00 -0.63 0.00 0.00 -1.94 0.00 0.00 57.00 54.44 1ivm n GLN 86 Cb 0.51 -0.19 0.00 0.00 0.11 0.00 0.00 30.24 30.67 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ivm n ASP 87 N -3.02 0.00 -4.66 1.08 2.03 -1.26 -3.16 116.55 107.56 1ivm n ASP 87 Ca 0.04 0.38 -0.49 0.00 0.52 0.00 0.00 54.79 55.24 1ivm n ASP 87 Cb 0.14 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.06 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ivm n ASP 88 N -1.88 2.86 -0.33 1.67 9.92 -1.26 -4.42 116.55 123.10 1ivm n ASP 88 Ca 0.00 1.06 0.13 0.00 -0.53 0.00 0.00 54.79 55.45 1ivm n ASP 88 Cb 0.00 -1.34 0.57 0.00 -0.64 0.00 0.00 41.12 39.71 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ivm n ILE 89 N 3.82 0.06 -0.41 0.53 -5.35 -1.26 -4.10 119.36 112.65 1ivm n ILE 89 Ca 0.20 -0.19 0.34 0.00 -0.27 0.00 0.00 62.75 62.82 1ivm n ILE 89 Cb 0.26 0.15 0.62 0.00 -1.74 0.00 0.00 39.64 38.92 1ivm n ILE 89 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ivm h THR 90 N 1.49 0.22 -0.03 7.28 2.02 -1.92 1.59 112.91 123.57 1ivm h THR 90 Ca 0.00 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.87 1ivm h THR 90 Cb 0.32 0.05 0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1ivm h THR 90 CO 0.00 0.03 -0.97 0.00 0.37 0.00 0.00 175.52 174.95 1ivm h ALA 91 N 1.60 0.16 -0.95 6.16 0.00 -1.83 0.18 119.26 124.58 1ivm h ALA 91 Ca 0.76 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ivm h ALA 91 Cb 2.32 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 20.11 1ivm h ALA 91 CO -0.38 0.66 0.62 0.00 0.00 0.00 0.00 179.25 180.15 1ivm h ALA 92 N 0.42 1.21 0.07 0.00 0.00 0.19 1.43 119.26 122.58 1ivm h ALA 92 Ca -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ivm h ALA 92 Cb 1.62 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ivm h ALA 92 CO 0.19 0.57 -0.03 0.82 0.00 0.00 0.00 179.25 180.80 1ivm h ILE 93 N 1.26 1.18 -0.73 0.00 2.04 -0.41 0.31 117.51 121.16 1ivm h ILE 93 Ca 0.35 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.79 1ivm h ILE 93 Cb -0.11 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1ivm h ILE 93 CO -0.09 0.34 0.41 -0.61 0.00 0.00 0.00 178.15 178.20 1ivm h GLN 94 N -0.84 0.72 0.19 2.37 5.75 -0.44 0.16 115.11 123.03 1ivm h GLN 94 Ca -0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1ivm h GLN 94 Cb 0.62 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1ivm h GLN 94 CO 0.02 0.48 -0.09 0.00 -2.65 0.00 0.00 178.83 176.58 1ivm h ALA 96 N -0.12 0.78 -0.24 0.00 0.00 0.05 1.83 119.26 121.56 1ivm h ALA 96 Ca -0.03 0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1ivm h ALA 96 Cb 0.51 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ivm h ALA 96 CO 0.04 -0.44 -0.62 1.57 0.00 0.00 0.00 179.25 179.80 1ivm h LYS 97 N 0.04 0.85 0.00 0.00 2.10 -0.65 0.12 116.57 119.03 1ivm h LYS 97 Ca 0.45 -0.59 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1ivm h LYS 97 Cb 0.79 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1ivm h LYS 97 CO -0.81 1.21 -0.05 -0.09 -2.00 0.00 0.00 179.45 177.71 1ivm h ARG 98 N 0.62 0.00 0.00 0.07 9.65 0.52 0.59 114.38 125.83 1ivm h ARG 98 Ca -0.01 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1ivm h ARG 98 Cb 1.24 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1ivm h ARG 98 CO 0.13 0.05 -0.64 0.28 2.80 0.00 0.00 179.97 182.60 1ivm h VAL 99 N 0.00 0.30 -0.22 0.20 2.07 0.27 -3.36 116.25 115.51 1ivm h VAL 99 Ca -0.00 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1ivm h VAL 99 Cb 0.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1ivm h VAL 99 CO 0.01 0.10 0.20 0.58 0.02 0.00 0.00 177.57 178.48 1ivm h VAL 100 N -1.00 0.63 0.00 2.57 2.07 -0.64 0.13 116.25 120.00 1ivm h VAL 100 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ivm h VAL 100 Cb 0.68 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ivm h VAL 100 CO -0.06 0.00 0.31 0.03 0.02 0.00 0.00 177.57 177.87 1ivm h ARG 101 N 0.00 0.00 -7.64 1.57 3.08 0.06 -3.33 114.38 108.12 1ivm h ARG 101 Ca 0.11 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.72 1ivm h ARG 101 Cb 0.50 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.73 1ivm h ARG 101 CO -0.00 0.00 0.30 -0.51 -1.07 0.00 0.00 179.97 178.69 1ivm s ASP 102 N -4.34 2.15 0.00 7.04 1.11 0.46 -4.90 116.67 118.18 1ivm s ASP 102 Ca -0.03 0.43 0.20 0.00 0.18 0.00 0.00 52.55 53.32 1ivm s ASP 102 Cb 0.08 -0.55 1.17 0.00 1.07 0.00 0.00 42.92 44.69 1ivm s ASP 102 CO 0.26 -3.35 1.61 -0.81 1.18 0.00 0.00 175.17 174.06 1ivm n PRO 103 N -4.21 0.75 0.21 8.23 -0.04 -1.26 -3.59 135.00 135.09 1ivm n PRO 103 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1ivm n PRO 103 Cb 0.59 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.56 0.00 0.54 1.08 -1.86 -3.50 115.11 110.81 1ivm h GLN 104 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ivm h GLN 104 Cb 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ivm h GLN 104 CO 0.00 -0.37 0.00 0.41 -0.95 0.00 0.00 178.83 177.92 1ivm n GLY 105 N 0.10 -1.82 0.59 3.46 0.00 -1.24 -4.28 105.19 102.00 1ivm n GLY 105 Ca -0.07 -1.50 0.37 0.00 0.00 0.00 0.00 46.02 44.82 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N 0.00 0.05 -1.18 -0.61 1.08 -1.94 0.13 117.51 115.04 1ivm h ILE 106 Ca 0.00 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.86 1ivm h ILE 106 Cb 0.00 0.07 -0.10 0.00 -3.07 0.00 0.00 36.82 33.72 1ivm h ILE 106 CO 0.00 0.00 0.79 -1.14 -0.69 0.00 0.00 178.15 177.11 1ivm n ARG 107 N -3.58 -0.02 -0.40 2.37 0.63 -1.26 0.26 116.66 114.66 1ivm n ARG 107 Ca 0.30 0.93 0.32 0.00 -0.92 0.00 0.00 57.85 58.49 1ivm n ARG 107 Cb 1.64 -1.91 0.61 0.00 0.45 0.00 0.00 32.46 33.24 1ivm n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm h ALA 108 N 1.11 2.60 -1.13 5.13 0.00 -0.96 1.23 119.26 127.24 1ivm h ALA 108 Ca 0.69 0.09 -0.73 0.00 0.00 0.00 0.00 54.91 54.96 1ivm h ALA 108 Cb 2.37 0.14 -0.30 0.00 0.00 0.00 0.00 17.79 20.00 1ivm h ALA 108 CO -0.27 -1.13 0.65 0.91 0.00 0.00 0.00 179.25 179.41 1ivm n TRP 109 N -4.63 3.08 -0.07 0.00 8.01 0.73 -4.75 117.44 119.81 1ivm n TRP 109 Ca 0.33 -2.52 0.23 0.00 -1.31 0.00 0.00 57.50 54.22 1ivm n TRP 109 Cb 1.24 -0.94 0.44 0.00 -2.01 0.00 0.00 31.31 30.05 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 2.14 0.06 -0.80 -0.99 3.04 0.14 0.38 116.25 120.22 1ivm h VAL 110 Ca 0.51 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 66.37 1ivm h VAL 110 Cb 0.23 0.14 -0.15 0.00 -2.01 0.00 0.00 31.29 29.50 1ivm h VAL 110 CO 1.30 0.00 -0.12 0.00 -1.01 0.00 0.00 177.57 177.73 1ivm h ALA 111 N 0.65 0.65 -0.58 3.17 0.00 -1.85 2.35 119.26 123.64 1ivm h ALA 111 Ca 0.36 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.59 1ivm h ALA 111 Cb 2.42 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 20.73 1ivm h ALA 111 CO -0.00 -0.42 0.38 2.35 0.00 0.00 0.00 179.25 181.55 1ivm h TRP 112 N 0.03 0.67 0.00 0.00 2.91 -0.61 0.62 115.95 119.57 1ivm h TRP 112 Ca 0.41 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.44 1ivm h TRP 112 Cb 0.67 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1ivm h TRP 112 CO -0.56 0.40 0.00 -2.13 -1.03 0.00 0.00 178.44 175.12 1ivm n ARG 113 N -4.46 0.06 -0.92 2.65 0.63 0.75 0.30 116.66 115.66 1ivm n ARG 113 Ca 0.06 0.09 0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1ivm n ARG 113 Cb 0.11 -1.50 0.13 0.00 0.45 0.00 0.00 32.46 31.65 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 114 N -1.46 3.09 0.00 5.13 0.00 0.17 -4.39 120.51 123.05 1ivm n ALA 114 Ca 0.07 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1ivm n ALA 114 Cb 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.49 -1.08 -0.10 0.00 -0.00 0.11 -4.94 115.22 108.71 1ivm n HIS 115 Ca 0.14 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.11 1ivm n HIS 115 Cb 0.86 0.34 -0.11 0.00 -0.12 0.00 0.00 29.99 30.96 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.45 0.64 0.00 0.00 6.02 -0.36 -1.76 117.38 117.47 1ivm n GLN 117 Ca -0.30 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 1ivm n GLN 117 Cb 0.66 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ivm n ASN 118 N 4.71 0.00 -1.84 1.08 5.15 -1.26 -4.79 115.26 118.31 1ivm n ASN 118 Ca 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.11 1ivm n ASN 118 Cb 0.04 0.21 -0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1ivm n ASN 118 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ivm n ARG 119 N -2.00 1.53 -3.16 1.20 3.00 -0.72 -5.09 116.66 111.41 1ivm n ARG 119 Ca 0.00 -0.09 -0.45 0.00 -0.00 0.00 0.00 57.85 57.31 1ivm n ARG 119 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 32.46 32.45 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ivm s ASP 120 N -1.06 6.22 -0.18 6.15 2.15 -1.26 -4.85 116.67 123.83 1ivm s ASP 120 Ca 0.00 -1.59 0.16 0.00 0.43 0.00 0.00 52.55 51.56 1ivm s ASP 120 Cb 0.00 -2.28 0.78 0.00 -0.30 0.00 0.00 42.92 41.12 1ivm s ASP 120 CO 0.00 -1.03 1.70 -0.11 -0.17 0.00 0.00 175.17 175.56 1ivm n LEU 121 N 5.98 5.30 0.20 -1.34 0.00 -1.26 -4.22 117.00 121.67 1ivm n LEU 121 Ca -0.09 -2.73 0.09 0.00 0.00 0.00 0.00 56.01 53.28 1ivm n LEU 121 Cb 0.42 -0.64 0.29 0.00 0.00 0.00 0.00 43.42 43.50 1ivm n LEU 121 CO 0.56 0.71 0.73 0.28 0.00 0.00 0.00 177.39 179.68 1ivm h SER 122 N 4.00 0.00 0.85 1.96 0.02 -1.96 -2.76 113.55 115.65 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 1.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1ivm h SER 122 CO 0.38 0.23 0.00 1.67 -1.14 0.00 0.00 176.83 177.96 1ivm n GLN 123 N -3.24 0.17 0.09 3.45 -0.06 -1.26 -0.28 117.38 116.24 1ivm n GLN 123 Ca 0.02 0.34 -0.06 0.00 -2.00 0.00 0.00 57.00 55.29 1ivm n GLN 123 Cb 0.53 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1ivm h TYR 124 N 0.00 0.10 0.00 3.69 3.20 -1.80 -3.32 116.97 118.85 1ivm h TYR 124 Ca 0.00 -0.06 -0.38 0.00 3.14 0.00 0.00 58.73 61.43 1ivm h TYR 124 Cb 0.43 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1ivm h TYR 124 CO 0.00 0.88 -2.40 0.44 -1.64 0.00 0.00 178.16 175.44 1ivm n ILE 125 N -3.59 1.45 -2.70 1.81 -5.35 -1.02 -4.67 119.36 105.28 1ivm n ILE 125 Ca -0.02 -0.73 -0.43 0.00 -0.27 0.00 0.00 62.75 61.30 1ivm n ILE 125 Cb 0.80 -0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.51 3.65 0.00 6.28 6.06 0.61 -3.78 118.95 129.26 1ivm s ARG 126 Ca -0.20 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.43 1ivm s ARG 126 Cb 0.07 -3.91 0.00 0.00 0.06 0.00 0.00 34.95 31.17 1ivm s ARG 126 CO 0.73 -1.29 0.00 0.09 -2.50 0.00 0.00 175.30 172.34 1ivm n ASN 127 N 7.49 0.00 0.20 -2.12 4.13 -1.26 -4.63 115.26 119.07 1ivm n ASN 127 Ca 0.09 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.43 1ivm n ASN 127 Cb 0.49 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 39.05 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ivm n GLY 129 N 0.47 1.69 0.47 0.00 0.00 -1.26 -5.15 105.19 101.42 1ivm n GLY 129 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70