#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s THR 2 N 0.00 4.55 0.05 0.00 2.01 -1.26 -4.94 115.64 116.04 3i1s s THR 2 Ca 0.00 1.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 3i1s s THR 2 Cb 0.00 -3.75 -0.17 0.00 0.01 0.00 0.00 72.50 68.59 3i1s s THR 2 CO 0.00 -0.84 1.52 -0.37 -0.69 0.00 0.00 174.62 174.24 3i1s h VAL 3 N 0.45 0.97 -0.20 3.82 -1.51 -2.03 -0.26 116.25 117.50 3i1s h VAL 3 Ca -0.46 -0.39 0.06 0.00 -1.23 0.00 0.00 66.70 64.67 3i1s h VAL 3 Cb 1.19 1.22 -0.07 0.00 -2.13 0.00 0.00 31.29 31.51 3i1s h VAL 3 CO 0.61 0.09 -0.26 -1.13 -1.23 0.00 0.00 177.57 175.66 3i1s h ASN 4 N -0.35 -0.81 -0.99 4.19 -0.73 -1.99 0.63 115.58 115.52 3i1s h ASN 4 Ca -0.02 0.14 0.27 0.00 1.87 0.00 0.00 56.30 58.56 3i1s h ASN 4 Cb 0.28 0.37 -0.19 0.00 0.27 0.00 0.00 38.32 39.06 3i1s h ASN 4 CO 0.03 -0.30 0.02 1.67 -0.37 0.00 0.00 177.43 178.48 3i1s n GLN 5 N -5.38 -0.08 0.10 6.67 -0.06 -1.08 -1.25 117.38 116.29 3i1s n GLN 5 Ca -0.02 1.49 -0.14 0.00 -2.00 0.00 0.00 57.00 56.33 3i1s n GLN 5 Cb 0.30 -2.36 -0.12 0.00 -4.06 0.00 0.00 30.24 23.99 3i1s n GLN 5 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3i1s h LEU 6 N 0.00 0.39 -1.84 1.69 3.38 0.28 -3.09 115.31 116.12 3i1s h LEU 6 Ca 0.60 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3i1s h LEU 6 Cb 1.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3i1s h LEU 6 CO -0.93 1.29 0.21 0.58 0.09 0.00 0.00 178.44 179.68 3i1s h VAL 7 N 0.08 0.95 0.00 1.22 2.07 0.48 -2.77 116.25 118.28 3i1s h VAL 7 Ca -0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3i1s h VAL 7 Cb 1.89 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3i1s h VAL 7 CO 0.19 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 176.68 3i1s n ARG 8 N -4.48 0.00 -3.89 1.57 3.00 -0.89 -4.70 116.66 107.28 3i1s n ARG 8 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.53 3i1s n ARG 8 Cb 0.24 -0.95 -0.10 0.00 0.00 0.00 0.00 32.46 31.65 3i1s n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i1s s LYS 9 N -0.91 4.00 0.66 -0.14 3.01 -1.06 -5.11 119.74 120.20 3i1s s LYS 9 Ca 0.00 -0.32 -0.11 0.00 -1.01 0.00 0.00 55.97 54.52 3i1s s LYS 9 Cb 0.00 -3.31 -0.01 0.00 -1.01 0.00 0.00 37.83 33.50 3i1s s LYS 9 CO 0.00 0.20 1.06 -1.25 0.51 0.00 0.00 175.35 175.87 3i1s s PRO 10 N 0.59 3.23 0.55 -1.68 0.04 -1.15 -4.26 135.00 132.32 3i1s s PRO 10 Ca 0.05 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 61.50 3i1s s PRO 10 Cb -0.13 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3i1s s PRO 10 CO 0.01 -0.81 1.29 0.54 0.04 0.00 0.00 177.00 178.07 3i1s n ARG 11 N -2.88 1.53 -3.94 4.56 5.12 -1.26 -4.98 116.66 114.80 3i1s n ARG 11 Ca 0.06 0.57 -0.31 0.00 -1.93 0.00 0.00 57.85 56.24 3i1s n ARG 11 Cb 0.55 -2.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.22 3i1s n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1s s ALA 12 N -1.32 3.25 -0.10 7.54 0.00 -1.26 -5.06 121.76 124.80 3i1s s ALA 12 Ca 0.73 -3.13 -0.27 0.00 0.00 0.00 0.00 51.96 49.29 3i1s s ALA 12 Cb -0.42 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 3i1s s ALA 12 CO 0.49 -1.96 0.87 0.50 0.00 0.00 0.00 175.76 175.66 3i1s s ARG 13 N -0.03 4.40 0.00 0.00 3.52 -1.26 -5.06 118.95 120.53 3i1s s ARG 13 Ca 0.16 1.15 -0.04 0.00 -0.13 0.00 0.00 55.73 56.87 3i1s s ARG 13 Cb -0.24 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3i1s s ARG 13 CO -0.02 -0.19 0.22 -1.59 -0.81 0.00 0.00 175.30 172.91 3i1s s LYS 14 N 1.63 3.49 -0.25 5.12 -2.85 -1.26 -5.07 119.74 120.55 3i1s s LYS 14 Ca 0.43 -0.23 -0.28 0.00 -1.00 0.00 0.00 55.97 54.89 3i1s s LYS 14 Cb -0.18 -3.08 0.01 0.00 -2.06 0.00 0.00 37.83 32.52 3i1s s LYS 14 CO 0.18 0.66 0.99 0.14 0.10 0.00 0.00 175.35 177.42 3i1s s VAL 15 N -1.33 4.68 0.91 1.79 -7.23 -1.26 -5.01 120.40 112.95 3i1s s VAL 15 Ca 0.28 1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 62.18 3i1s s VAL 15 Cb -0.13 -4.28 0.11 0.00 0.56 0.00 0.00 36.38 32.64 3i1s s VAL 15 CO 0.18 -0.22 0.99 0.00 -0.31 0.00 0.00 175.10 175.74 3i1s n ALA 16 N 6.35 -1.10 -2.71 1.32 0.00 -1.26 -5.00 120.51 118.12 3i1s n ALA 16 Ca 0.10 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 3i1s n ALA 16 Cb 0.47 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3i1s n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i1s s LYS 17 N -4.32 3.85 0.40 0.00 -2.85 -1.26 -5.06 119.74 110.50 3i1s s LYS 17 Ca 0.66 0.09 -0.27 0.00 -1.00 0.00 0.00 55.97 55.45 3i1s s LYS 17 Cb -0.24 -3.28 -0.10 0.00 -2.06 0.00 0.00 37.83 32.15 3i1s s LYS 17 CO 0.59 0.58 1.48 0.45 0.10 0.00 0.00 175.35 178.54 3i1s s SER 18 N -0.56 6.22 0.00 0.03 0.15 -1.26 -4.89 113.70 113.39 3i1s s SER 18 Ca 0.18 3.03 0.24 0.00 0.70 0.00 0.00 55.95 60.10 3i1s s SER 18 Cb -0.14 -2.67 0.78 0.00 -1.71 0.00 0.00 66.02 62.28 3i1s s SER 18 CO 0.07 -0.96 1.58 -0.46 1.20 0.00 0.00 173.24 174.66 3i1s n ASN 19 N 0.29 1.88 -2.71 5.45 2.04 -1.26 -4.14 115.26 116.81 3i1s n ASN 19 Ca 0.02 -1.69 -0.06 0.00 -0.44 0.00 0.00 54.58 52.41 3i1s n ASN 19 Cb 0.40 -0.08 0.04 0.00 -2.53 0.00 0.00 39.78 37.61 3i1s n ASN 19 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 3i1s n VAL 20 N 0.46 1.15 -1.78 3.53 0.24 -1.26 -4.96 118.33 115.71 3i1s n VAL 20 Ca 0.17 -3.07 -0.23 0.00 -2.04 0.00 0.00 64.34 59.18 3i1s n VAL 20 Cb 0.38 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 3i1s n VAL 20 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i1s s PRO 21 N -3.39 2.07 0.00 7.34 0.04 -1.26 -2.77 135.00 137.03 3i1s s PRO 21 Ca 0.28 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3i1s s PRO 21 Cb 0.41 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 30.12 3i1s s PRO 21 CO 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 177.00 173.23 3i1s n ALA 22 N 16.26 0.00 0.66 8.56 0.00 -1.26 -4.91 120.51 139.82 3i1s n ALA 22 Ca 0.41 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.98 3i1s n ALA 22 Cb 0.46 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.31 3i1s n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1s n LEU 23 N -0.36 0.73 -3.73 0.00 4.77 -1.11 -4.91 117.00 112.38 3i1s n LEU 23 Ca 0.00 0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 56.21 3i1s n LEU 23 Cb 0.00 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3i1s n LEU 23 CO 0.00 -0.15 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.20 3i1s n GLU 24 N -2.17 -1.08 -0.94 3.23 1.02 -1.26 -1.51 120.64 117.93 3i1s n GLU 24 Ca 0.05 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3i1s n GLU 24 Cb 0.42 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 3i1s n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1s n ALA 25 N -3.73 0.00 -2.84 0.62 0.00 -1.26 -4.97 120.51 108.34 3i1s n ALA 25 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 3i1s n ALA 25 Cb 0.60 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 3i1s n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h PRO 27 N 4.26 -0.24 -4.64 0.00 0.13 -1.93 -3.46 132.00 126.11 3i1s h PRO 27 Ca -0.51 0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.22 3i1s h PRO 27 Cb 1.20 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3i1s h PRO 27 CO 0.64 -0.16 -0.38 1.14 -0.23 0.00 0.00 178.00 179.02 3i1s s GLN 28 N -6.12 1.85 0.06 0.86 0.00 -1.26 -4.77 119.66 110.28 3i1s s GLN 28 Ca -0.15 -1.96 -0.04 0.00 -0.00 0.00 0.00 55.36 53.22 3i1s s GLN 28 Cb 0.10 0.37 -0.03 0.00 0.00 0.00 0.00 33.01 33.46 3i1s s GLN 28 CO 0.67 -0.72 0.05 0.15 0.00 0.00 0.00 175.29 175.44 3i1s s LYS 29 N -3.24 0.68 -0.10 9.60 -0.14 -0.93 -5.00 119.74 120.62 3i1s s LYS 29 Ca 0.37 -1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 53.77 3i1s s LYS 29 Cb 0.01 0.25 -0.05 0.00 -1.68 0.00 0.00 37.83 36.37 3i1s s LYS 29 CO 0.26 -0.16 0.26 0.50 -0.76 0.00 0.00 175.35 175.45 3i1s s ARG 30 N -3.79 3.84 -0.05 1.68 3.52 -1.26 0.14 118.95 123.03 3i1s s ARG 30 Ca 0.05 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 3i1s s ARG 30 Cb 0.06 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3i1s s ARG 30 CO -0.10 0.58 -0.07 0.20 -0.81 0.00 0.00 175.30 175.11 3i1s s GLY 31 N -0.57 1.70 0.09 8.12 0.00 0.76 -2.08 107.32 115.34 3i1s s GLY 31 Ca 0.18 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 44.07 3i1s s GLY 31 CO 0.06 -0.71 1.12 -2.08 0.00 0.00 0.00 173.10 171.49 3i1s h VAL 32 N 4.15 1.33 -4.09 1.40 2.07 -1.68 0.28 116.25 119.71 3i1s h VAL 32 Ca -0.49 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.01 3i1s h VAL 32 Cb 1.17 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.53 3i1s h VAL 32 CO 0.52 0.76 -0.78 0.00 0.02 0.00 0.00 177.57 178.10 3i1s n THR 34 N 0.77 0.00 -3.83 0.00 -1.04 0.23 -4.20 114.28 106.20 3i1s n THR 34 Ca -0.17 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.52 3i1s n THR 34 Cb 0.26 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.67 3i1s n THR 34 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i1s s ARG 35 N 0.00 3.50 -0.98 -2.82 1.81 -1.21 -4.65 118.95 114.60 3i1s s ARG 35 Ca 0.00 -0.27 -0.09 0.00 -1.72 0.00 0.00 55.73 53.65 3i1s s ARG 35 Cb 0.00 -3.02 0.25 0.00 -0.45 0.00 0.00 34.95 31.73 3i1s s ARG 35 CO 0.00 0.60 0.93 0.14 -0.68 0.00 0.00 175.30 176.29 3i1s s VAL 36 N -1.46 5.56 0.67 3.52 -7.23 -1.26 0.19 120.40 120.39 3i1s s VAL 36 Ca 0.33 -3.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.28 3i1s s VAL 36 Cb -0.13 -4.38 0.07 0.00 0.56 0.00 0.00 36.38 32.49 3i1s s VAL 36 CO 0.23 -1.11 0.96 -0.31 -0.31 0.00 0.00 175.10 174.56 3i1s s TYR 37 N -0.80 2.69 -0.37 2.82 4.12 -1.01 -4.96 117.35 119.84 3i1s s TYR 37 Ca 0.26 0.23 0.02 0.00 0.02 0.00 0.00 57.07 57.59 3i1s s TYR 37 Cb -0.10 -3.09 0.15 0.00 -1.52 0.00 0.00 41.96 37.40 3i1s s TYR 37 CO -0.09 -1.35 0.28 0.95 0.02 0.00 0.00 175.55 175.36 3i1s s THR 38 N -3.13 0.08 0.32 -0.71 -4.23 -1.26 -2.40 115.64 104.31 3i1s s THR 38 Ca 0.61 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3i1s s THR 38 Cb -0.10 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 3i1s s THR 38 CO 0.43 -0.97 0.59 0.42 -0.54 0.00 0.00 174.62 174.55 3i1s s THR 39 N 0.88 5.00 0.04 3.99 -4.23 -1.24 -4.71 115.64 115.37 3i1s s THR 39 Ca 0.22 0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 3i1s s THR 39 Cb -0.15 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 69.88 3i1s s THR 39 CO -0.05 -0.40 0.47 0.42 -0.54 0.00 0.00 174.62 174.53 3i1s s THR 40 N -2.17 4.92 0.93 3.99 -4.23 -1.26 -2.29 115.64 115.53 3i1s s THR 40 Ca 0.44 0.96 -0.10 0.00 -1.18 0.00 0.00 61.69 61.81 3i1s s THR 40 Cb -0.11 -3.78 0.15 0.00 1.34 0.00 0.00 72.50 70.11 3i1s s THR 40 CO 0.31 0.54 1.12 -2.16 -0.54 0.00 0.00 174.62 173.90 3i1s s PRO 41 N -1.16 0.90 0.00 3.99 0.04 -1.26 -5.00 135.00 132.51 3i1s s PRO 41 Ca 0.27 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3i1s s PRO 41 Cb -0.17 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3i1s s PRO 41 CO 0.16 -2.67 0.00 1.17 0.04 0.00 0.00 177.00 175.70 3i1s n LYS 42 N -4.24 0.28 0.00 4.56 4.81 -0.20 -4.86 118.16 118.50 3i1s n LYS 42 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3i1s n LYS 42 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3i1s n LYS 42 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1s n LYS 43 N -0.52 0.00 0.00 1.64 4.76 -1.26 -3.41 118.16 119.37 3i1s n LYS 43 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 3i1s n LYS 43 Cb 0.00 0.00 0.43 0.00 -1.84 0.00 0.00 35.03 33.62 3i1s n LYS 43 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3i1s n PRO 44 N -0.54 0.26 -2.81 1.97 -0.04 -1.26 -4.83 135.00 127.75 3i1s n PRO 44 Ca 0.00 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 3i1s n PRO 44 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3i1s n PRO 44 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i1s s ASN 45 N -2.53 7.01 -0.48 3.54 0.01 -1.22 -5.02 114.94 116.25 3i1s s ASN 45 Ca 0.17 1.25 -0.11 0.00 -0.71 0.00 0.00 52.86 53.46 3i1s s ASN 45 Cb 0.11 -2.48 0.12 0.00 0.41 0.00 0.00 41.25 39.41 3i1s s ASN 45 CO 0.25 -0.48 0.38 -0.55 -1.51 0.00 0.00 177.10 175.19 3i1s s SER 46 N 1.18 5.83 0.02 -1.22 0.15 -1.26 -4.46 113.70 113.94 3i1s s SER 46 Ca 0.40 -1.83 -0.01 0.00 0.70 0.00 0.00 55.95 55.22 3i1s s SER 46 Cb -0.16 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3i1s s SER 46 CO 0.11 -0.72 0.05 0.00 1.20 0.00 0.00 173.24 173.88 3i1s n ALA 47 N 5.00 -0.10 -3.47 5.45 0.00 -1.26 -5.07 120.51 121.06 3i1s n ALA 47 Ca -0.10 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 3i1s n ALA 47 Cb 0.41 0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 3i1s n ALA 47 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3i1s s LEU 48 N 0.00 0.65 0.92 0.00 2.34 -1.26 -3.98 118.68 117.34 3i1s s LEU 48 Ca 0.01 -1.78 -0.11 0.00 0.06 0.00 0.00 54.13 52.31 3i1s s LEU 48 Cb -0.00 -0.21 0.14 0.00 -0.56 0.00 0.00 46.19 45.57 3i1s s LEU 48 CO 0.01 -0.34 1.09 -0.13 -1.06 0.00 0.00 176.35 175.92 3i1s s ARG 49 N 1.48 1.04 -0.88 1.48 3.00 -0.97 -4.81 118.95 119.28 3i1s s ARG 49 Ca 0.15 1.01 -0.14 0.00 0.00 0.00 0.00 55.73 56.75 3i1s s ARG 49 Cb -0.20 -1.77 0.22 0.00 0.00 0.00 0.00 34.95 33.20 3i1s s ARG 49 CO -0.12 -2.44 0.86 0.15 0.00 0.00 0.00 175.30 173.75 3i1s s LYS 50 N -4.81 3.70 0.49 3.54 3.01 -1.26 -3.66 119.74 120.74 3i1s s LYS 50 Ca 0.64 -2.51 0.07 0.00 -1.01 0.00 0.00 55.97 53.17 3i1s s LYS 50 Cb -0.20 -4.50 0.02 0.00 -1.01 0.00 0.00 37.83 32.14 3i1s s LYS 50 CO 0.58 -1.34 0.48 0.08 0.51 0.00 0.00 175.35 175.66 3i1s s VAL 51 N 0.22 2.25 -0.20 3.17 1.01 -1.01 -0.84 120.40 124.99 3i1s s VAL 51 Ca 0.21 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 3i1s s VAL 51 Cb -0.09 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 33.82 3i1s s VAL 51 CO -0.09 0.00 0.76 0.00 0.00 0.00 0.00 175.10 175.77 3i1s s ARG 53 N -0.20 4.78 -0.01 0.00 6.06 0.13 -0.49 118.95 129.21 3i1s s ARG 53 Ca -0.03 1.58 -0.03 0.00 -2.50 0.00 0.00 55.73 54.75 3i1s s ARG 53 Cb -0.03 -3.26 -0.00 0.00 0.06 0.00 0.00 34.95 31.71 3i1s s ARG 53 CO 0.03 0.40 0.07 0.08 -2.50 0.00 0.00 175.30 173.38 3i1s s VAL 54 N -1.05 0.05 -0.45 7.11 1.01 -0.44 0.75 120.40 127.37 3i1s s VAL 54 Ca 0.43 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3i1s s VAL 54 Cb -0.28 -0.23 0.12 0.00 0.00 0.00 0.00 36.38 35.99 3i1s s VAL 54 CO 0.34 -0.21 0.27 -0.60 0.00 0.00 0.00 175.10 174.90 3i1s s ARG 55 N -0.65 2.17 0.45 2.72 3.52 -1.26 -2.65 118.95 123.25 3i1s s ARG 55 Ca -0.07 -1.93 -0.23 0.00 -0.13 0.00 0.00 55.73 53.37 3i1s s ARG 55 Cb -0.04 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 3i1s s ARG 55 CO 0.00 -1.11 1.16 -0.51 -0.81 0.00 0.00 175.30 174.03 3i1s s LEU 56 N 0.98 4.05 0.43 -0.88 1.43 0.09 -2.01 118.68 122.77 3i1s s LEU 56 Ca 0.09 2.29 0.31 0.00 -1.03 0.00 0.00 54.13 55.80 3i1s s LEU 56 Cb -0.23 -4.20 1.48 0.00 0.03 0.00 0.00 46.19 43.27 3i1s s LEU 56 CO -0.04 -0.85 1.56 0.35 0.23 0.00 0.00 176.35 177.61 3i1s n THR 57 N -0.37 -0.27 0.63 5.49 -2.24 -0.88 0.88 114.28 117.52 3i1s n THR 57 Ca 0.07 1.82 0.12 0.00 -2.27 0.00 0.00 64.05 63.79 3i1s n THR 57 Cb 0.48 -2.98 0.46 0.00 -2.10 0.00 0.00 70.33 66.18 3i1s n THR 57 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i1s n ASN 58 N -4.76 0.58 0.00 3.42 0.23 -1.26 -4.92 115.26 108.55 3i1s n ASN 58 Ca 0.40 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 3i1s n ASN 58 Cb 1.54 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 38.52 3i1s n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1s n GLY 59 N 0.93 0.94 3.77 4.83 0.00 0.25 -5.11 105.19 110.80 3i1s n GLY 59 Ca 0.05 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3i1s n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1s s PHE 60 N -0.73 2.99 -0.86 1.61 0.40 -1.25 -4.61 117.98 115.54 3i1s s PHE 60 Ca 0.00 1.34 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 3i1s s PHE 60 Cb 0.00 -3.74 0.31 0.00 0.51 0.00 0.00 43.02 40.10 3i1s s PHE 60 CO 0.00 -2.09 1.31 -0.85 0.70 0.00 0.00 175.22 174.29 3i1s n GLU 61 N 0.97 4.08 -3.01 0.44 0.28 -1.26 -0.74 120.64 121.40 3i1s n GLU 61 Ca 0.01 -4.69 -0.25 0.00 -0.16 0.00 0.00 57.16 52.07 3i1s n GLU 61 Cb 0.41 -2.38 -0.01 0.00 1.43 0.00 0.00 31.44 30.89 3i1s n GLU 61 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3i1s s VAL 62 N -3.57 4.98 -0.02 3.84 -7.23 -1.08 -4.78 120.40 112.54 3i1s s VAL 62 Ca 0.39 -0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.41 3i1s s VAL 62 Cb 0.16 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 3i1s s VAL 62 CO -0.04 -0.69 0.05 0.42 -0.31 0.00 0.00 175.10 174.52 3i1s s THR 63 N -2.53 4.51 0.22 5.32 -4.23 -1.26 -1.33 115.64 116.35 3i1s s THR 63 Ca 0.44 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 3i1s s THR 63 Cb -0.10 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 3i1s s THR 63 CO 0.40 0.41 -0.10 -0.55 -0.54 0.00 0.00 174.62 174.24 3i1s s SER 64 N -1.51 2.46 0.07 3.99 0.15 0.35 -4.11 113.70 115.10 3i1s s SER 64 Ca 0.20 -1.08 -0.22 0.00 0.70 0.00 0.00 55.95 55.54 3i1s s SER 64 Cb -0.12 -0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.01 3i1s s SER 64 CO 0.10 -0.27 0.67 -0.47 1.20 0.00 0.00 173.24 174.48 3i1s s TYR 65 N -3.07 3.78 -1.09 3.44 6.14 0.24 -1.28 117.35 125.52 3i1s s TYR 65 Ca 0.24 1.39 -0.03 0.00 0.64 0.00 0.00 57.07 59.31 3i1s s TYR 65 Cb 0.01 -2.66 0.29 0.00 0.42 0.00 0.00 41.96 40.02 3i1s s TYR 65 CO 0.08 0.44 1.77 -0.89 0.64 0.00 0.00 175.55 177.58 3i1s n ILE 66 N 2.19 5.64 -1.44 3.14 5.41 -0.02 0.11 119.36 134.40 3i1s n ILE 66 Ca -0.07 -5.70 -0.50 0.00 1.00 0.00 0.00 62.75 57.48 3i1s n ILE 66 Cb 0.50 -1.84 -0.08 0.00 -0.71 0.00 0.00 39.64 37.51 3i1s n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1s n GLY 67 N 0.80 0.39 0.00 7.39 0.00 -1.26 -4.83 105.19 107.68 3i1s n GLY 67 Ca 0.40 0.94 0.00 0.00 0.00 0.00 0.00 46.02 47.37 3i1s n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1s n GLY 68 N 6.58 1.02 2.98 -0.02 0.00 -1.26 -4.82 105.19 109.67 3i1s n GLY 68 Ca 0.43 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3i1s n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1s n GLU 69 N -0.29 3.98 -0.06 1.61 2.13 -1.26 -4.88 120.64 121.88 3i1s n GLU 69 Ca 0.00 -4.03 0.00 0.00 0.66 0.00 0.00 57.16 53.79 3i1s n GLU 69 Cb 0.00 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 28.98 3i1s n GLU 69 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i1s n GLY 70 N 2.22 0.13 1.30 8.31 0.00 -1.26 -4.79 105.19 111.10 3i1s n GLY 70 Ca 0.33 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3i1s n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i1s n HIS 71 N 2.05 0.24 0.00 1.61 1.44 -1.26 -4.76 115.22 114.54 3i1s n HIS 71 Ca 0.00 -0.95 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 3i1s n HIS 71 Cb 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.05 3i1s n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i1s n ASN 72 N -1.49 4.89 -3.68 4.39 0.23 -1.26 -5.09 115.26 113.25 3i1s n ASN 72 Ca -0.05 0.00 -0.50 0.00 -0.53 0.00 0.00 54.58 53.50 3i1s n ASN 72 Cb 0.23 0.80 -0.07 0.00 -2.08 0.00 0.00 39.78 38.66 3i1s n ASN 72 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3i1s n LEU 73 N -1.65 0.38 0.00 -4.53 4.77 -1.26 -4.97 117.00 109.74 3i1s n LEU 73 Ca 0.00 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3i1s n LEU 73 Cb 0.18 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3i1s n LEU 73 CO 0.00 -1.19 0.00 0.00 -1.33 0.00 0.00 177.39 174.87 3i1s n GLN 74 N 2.00 0.75 0.00 3.23 1.13 -1.26 -4.99 117.38 118.24 3i1s n GLN 74 Ca 0.20 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 3i1s n GLN 74 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.37 3i1s n GLN 74 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i1s n GLU 75 N 0.00 0.00 0.00 -1.09 -0.58 -1.26 -4.58 120.64 113.13 3i1s n GLU 75 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 3i1s n GLU 75 Cb 0.00 -0.04 0.22 0.00 -0.57 0.00 0.00 31.44 31.05 3i1s n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i1s n HIS 76 N -0.47 0.00 -1.57 -0.32 8.25 -1.26 -4.46 115.22 115.39 3i1s n HIS 76 Ca 0.00 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 56.91 3i1s n HIS 76 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 3i1s n HIS 76 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i1s n SER 77 N -0.79 2.12 -4.63 0.41 3.41 -1.26 -4.81 113.62 108.07 3i1s n SER 77 Ca 0.06 0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 59.04 3i1s n SER 77 Cb 0.03 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 3i1s n SER 77 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i1s s VAL 78 N 5.15 4.19 0.44 -3.33 -7.23 -1.26 -4.26 120.40 114.10 3i1s s VAL 78 Ca 1.05 1.33 0.06 0.00 -1.81 0.00 0.00 61.98 62.61 3i1s s VAL 78 Cb -1.05 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 31.62 3i1s s VAL 78 CO 0.60 -0.53 0.11 0.27 -0.31 0.00 0.00 175.10 175.25 3i1s s ILE 79 N 4.33 1.97 -0.16 -0.62 -4.36 0.99 -2.15 121.20 121.20 3i1s s ILE 79 Ca 0.54 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 3i1s s ILE 79 Cb -0.15 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 3i1s s ILE 79 CO 0.23 0.00 -0.12 -0.22 0.24 0.00 0.00 174.94 175.07 3i1s s LEU 80 N -3.87 2.62 -0.01 0.37 2.96 -1.26 0.27 118.68 119.77 3i1s s LEU 80 Ca 0.33 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3i1s s LEU 80 Cb 0.05 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3i1s s LEU 80 CO 0.18 0.08 0.11 -0.51 -1.32 0.00 0.00 176.35 174.89 3i1s s ILE 81 N 0.85 4.94 0.00 6.68 2.07 0.12 0.04 121.20 135.89 3i1s s ILE 81 Ca -0.04 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 3i1s s ILE 81 Cb -0.15 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 39.17 3i1s s ILE 81 CO 0.00 0.34 0.00 -1.14 -1.91 0.00 0.00 174.94 172.23 3i1s n ARG 82 N 1.12 0.00 0.00 3.50 0.63 1.09 -2.18 116.66 120.81 3i1s n ARG 82 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3i1s n ARG 82 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3i1s n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1s n GLY 83 N 3.02 -0.48 2.85 5.14 0.00 -1.26 -4.59 105.19 109.87 3i1s n GLY 83 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3i1s n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1s s GLY 84 N 0.00 0.78 1.04 -0.02 0.00 -1.07 -4.87 107.32 103.19 3i1s s GLY 84 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.99 3i1s s GLY 84 CO 0.00 1.02 0.14 -2.13 0.00 0.00 0.00 173.10 172.13 3i1s n ARG 85 N 4.98 -2.03 -3.69 2.90 0.63 -1.17 -3.04 116.66 115.24 3i1s n ARG 85 Ca -0.10 -0.59 -0.17 0.00 -0.92 0.00 0.00 57.85 56.07 3i1s n ARG 85 Cb 0.49 -1.51 -0.16 0.00 0.45 0.00 0.00 32.46 31.73 3i1s n ARG 85 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i1s s VAL 86 N -2.11 -0.19 -0.48 5.15 1.01 -1.19 -4.80 120.40 117.79 3i1s s VAL 86 Ca 0.42 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3i1s s VAL 86 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.06 3i1s s VAL 86 CO 0.44 0.14 0.66 1.17 0.00 0.00 0.00 175.10 177.51 3i1s n LYS 87 N 5.05 0.87 0.00 2.72 4.81 -1.26 -3.38 118.16 126.97 3i1s n LYS 87 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 3i1s n LYS 87 Cb 0.50 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.31 3i1s n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i1s n ASP 88 N 0.32 0.00 -4.53 3.14 10.43 -1.26 -4.97 116.55 119.68 3i1s n ASP 88 Ca 0.00 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 56.93 3i1s n ASP 88 Cb 0.33 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.23 3i1s n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i1s s LEU 89 N -2.83 4.37 0.55 0.64 2.01 -1.22 -1.03 118.68 121.17 3i1s s LEU 89 Ca 0.00 -0.18 -0.18 0.00 0.01 0.00 0.00 54.13 53.78 3i1s s LEU 89 Cb 0.00 -2.83 -0.10 0.00 0.01 0.00 0.00 46.19 43.27 3i1s s LEU 89 CO 0.00 -0.81 0.46 -0.81 1.01 0.00 0.00 176.35 176.19 3i1s n PRO 90 N 6.42 0.46 0.00 1.29 -0.04 -1.26 -4.13 135.00 137.75 3i1s n PRO 90 Ca 0.00 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3i1s n PRO 90 Cb 0.48 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3i1s n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1s n GLY 91 N 1.86 1.65 1.13 0.55 0.00 -1.26 -4.90 105.19 104.22 3i1s n GLY 91 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3i1s n GLY 91 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1s n VAL 92 N 0.00 -0.37 -0.93 1.61 0.31 -1.26 -4.68 118.33 113.00 3i1s n VAL 92 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 3i1s n VAL 92 Cb 0.00 -0.92 0.11 0.00 -0.91 0.00 0.00 33.84 32.12 3i1s n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1s n ARG 93 N 1.54 1.50 -4.02 5.55 1.74 -1.26 -3.15 116.66 118.56 3i1s n ARG 93 Ca 0.00 -2.30 -0.09 0.00 -0.77 0.00 0.00 57.85 54.69 3i1s n ARG 93 Cb 0.00 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 3i1s n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i1s s TYR 94 N -2.39 0.52 0.02 -1.55 2.02 -1.17 -2.59 117.35 112.21 3i1s s TYR 94 Ca 0.25 -0.93 0.05 0.00 -0.37 0.00 0.00 57.07 56.07 3i1s s TYR 94 Cb 0.22 -0.25 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 3i1s s TYR 94 CO 0.02 -0.56 -0.15 -1.01 -1.57 0.00 0.00 175.55 172.28 3i1s s HIS 95 N -3.96 1.34 -0.03 2.71 3.76 -1.26 0.83 115.29 118.68 3i1s s HIS 95 Ca 0.15 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.48 3i1s s HIS 95 Cb 0.06 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 3i1s s HIS 95 CO -0.03 0.02 0.89 0.95 -0.85 0.00 0.00 174.74 175.72 3i1s s THR 96 N -0.61 4.92 -0.17 1.30 -4.23 0.31 0.35 115.64 117.51 3i1s s THR 96 Ca 0.04 1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 62.12 3i1s s THR 96 Cb -0.07 -4.23 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 3i1s s THR 96 CO 0.00 0.18 1.00 0.68 -0.54 0.00 0.00 174.62 175.95 3i1s s VAL 97 N 1.00 4.74 -0.06 2.29 -7.23 0.11 -4.47 120.40 116.77 3i1s s VAL 97 Ca 0.47 1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 62.33 3i1s s VAL 97 Cb -0.20 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.42 3i1s s VAL 97 CO 0.24 -0.08 1.16 -0.13 -0.31 0.00 0.00 175.10 175.98 3i1s s ARG 98 N 2.61 4.37 0.00 4.82 1.81 -1.26 -3.50 118.95 127.79 3i1s s ARG 98 Ca 0.45 1.61 0.00 0.00 -1.72 0.00 0.00 55.73 56.07 3i1s s ARG 98 Cb -0.16 -3.55 0.00 0.00 -0.45 0.00 0.00 34.95 30.79 3i1s s ARG 98 CO 0.12 -0.41 0.00 0.41 -0.68 0.00 0.00 175.30 174.73 3i1s n GLY 99 N 3.30 1.68 3.88 -3.53 0.00 -0.53 -1.63 105.19 108.36 3i1s n GLY 99 Ca 0.10 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3i1s n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s s ALA 100 N -1.03 3.70 0.00 4.61 0.00 -1.23 -4.80 121.76 123.00 3i1s s ALA 100 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3i1s s ALA 100 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3i1s s ALA 100 CO 0.00 0.57 0.00 1.28 0.00 0.00 0.00 175.76 177.61 3i1s n LEU 101 N 0.44 0.00 -0.07 0.00 7.99 -1.26 -3.09 117.00 121.00 3i1s n LEU 101 Ca -0.04 0.00 0.26 0.00 -0.01 0.00 0.00 56.01 56.21 3i1s n LEU 101 Cb 0.52 0.00 0.69 0.00 -0.11 0.00 0.00 43.42 44.52 3i1s n LEU 101 CO 0.45 -0.63 1.23 0.44 -1.51 0.00 0.00 177.39 177.37 3i1s h ASP 102 N 0.00 0.00 -1.78 -1.43 5.19 -1.80 -3.39 116.42 113.22 3i1s h ASP 102 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 3i1s h ASP 102 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i1s h ASP 102 CO 0.00 0.00 1.54 0.00 -3.12 0.00 0.00 179.24 177.66 3i1s s SER 104 N 10.66 4.32 0.99 0.00 1.04 -1.26 -1.46 113.70 128.00 3i1s s SER 104 Ca 0.89 1.55 -0.15 0.00 0.48 0.00 0.00 55.95 58.72 3i1s s SER 104 Cb -0.17 -2.28 0.19 0.00 0.10 0.00 0.00 66.02 63.86 3i1s s SER 104 CO 0.26 -2.11 1.17 -0.83 0.98 0.00 0.00 173.24 172.71 3i1s s GLY 105 N -3.60 1.62 0.62 7.32 0.00 -1.26 -3.89 107.32 108.13 3i1s s GLY 105 Ca 0.61 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 44.42 3i1s s GLY 105 CO 0.56 -0.10 1.04 0.14 0.00 0.00 0.00 173.10 174.74 3i1s s VAL 106 N -3.35 4.29 0.18 1.40 1.01 -1.20 -4.94 120.40 117.79 3i1s s VAL 106 Ca 0.68 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.57 3i1s s VAL 106 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3i1s s VAL 106 CO 0.54 -0.85 0.22 -1.59 0.00 0.00 0.00 175.10 173.41 3i1s s LYS 107 N -4.73 3.14 0.00 2.72 0.00 -1.26 -4.51 119.74 115.10 3i1s s LYS 107 Ca 0.58 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 55.75 3i1s s LYS 107 Cb -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 37.83 34.94 3i1s s LYS 107 CO 0.47 0.48 0.00 -0.25 0.00 0.00 0.00 175.35 176.05 3i1s n ASP 108 N -0.67 -3.39 -4.76 0.03 8.00 -1.26 -4.93 116.55 109.57 3i1s n ASP 108 Ca -0.08 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3i1s n ASP 108 Cb 0.55 -2.85 -0.03 0.00 -0.02 0.00 0.00 41.12 38.77 3i1s n ASP 108 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i1s s ARG 109 N -1.47 4.41 0.16 -1.24 1.81 -1.26 -4.91 118.95 116.45 3i1s s ARG 109 Ca 0.00 2.11 0.00 0.00 -1.72 0.00 0.00 55.73 56.12 3i1s s ARG 109 Cb 0.00 -3.12 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 3i1s s ARG 109 CO 0.00 -0.15 0.00 1.63 -0.68 0.00 0.00 175.30 176.10 3i1s n LYS 110 N 1.41 0.00 -1.54 3.54 4.01 -1.26 -4.95 118.16 119.36 3i1s n LYS 110 Ca 0.02 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.41 3i1s n LYS 110 Cb 0.42 -0.32 -0.05 0.00 -0.51 0.00 0.00 35.03 34.58 3i1s n LYS 110 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3i1s n GLN 111 N -3.46 1.19 -2.65 1.97 -0.06 -1.26 -4.06 117.38 109.05 3i1s n GLN 111 Ca 0.00 0.18 -0.01 0.00 -2.00 0.00 0.00 57.00 55.17 3i1s n GLN 111 Cb 0.00 -3.06 -0.01 0.00 -4.06 0.00 0.00 30.24 23.12 3i1s n GLN 111 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i1s n ALA 112 N 13.38 -3.51 0.71 1.69 0.00 -1.26 -4.96 120.51 126.55 3i1s n ALA 112 Ca 0.39 0.76 0.07 0.00 0.00 0.00 0.00 53.44 54.66 3i1s n ALA 112 Cb 0.42 -1.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 3i1s n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1s n ARG 113 N 0.82 1.83 -0.25 0.00 1.74 -1.26 -4.45 116.66 115.10 3i1s n ARG 113 Ca -0.06 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i1s n ARG 113 Cb 0.10 -1.24 0.07 0.00 -1.02 0.00 0.00 32.46 30.37 3i1s n ARG 113 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3i1s h SER 114 N 0.00 -0.79 -3.87 0.55 0.02 -1.93 -2.55 113.55 104.99 3i1s h SER 114 Ca 0.00 0.22 -0.47 0.00 -0.84 0.00 0.00 61.79 60.70 3i1s h SER 114 Cb 0.38 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3i1s h SER 114 CO 0.00 -0.26 0.20 -0.54 -1.14 0.00 0.00 176.83 175.09 3i1s s LYS 115 N -6.19 4.05 -0.35 3.45 1.02 -1.26 -3.69 119.74 116.77 3i1s s LYS 115 Ca -0.14 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3i1s s LYS 115 Cb 0.20 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3i1s s LYS 115 CO 0.74 0.04 0.00 0.66 -0.92 0.00 0.00 175.35 175.87 3i1s n TYR 116 N -0.64 0.00 -1.35 3.18 4.01 -1.25 -4.52 117.16 116.59 3i1s n TYR 116 Ca 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.78 3i1s n TYR 116 Cb 0.54 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 3i1s n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1s n GLY 117 N -2.22 -0.00 2.93 2.72 0.00 -0.64 -3.24 105.19 104.73 3i1s n GLY 117 Ca -0.03 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3i1s n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1s s VAL 118 N -0.44 1.33 0.47 1.61 1.01 -0.99 -4.12 120.40 119.28 3i1s s VAL 118 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 3i1s s VAL 118 Cb -0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 3i1s s VAL 118 CO 0.01 0.11 1.30 -0.54 0.00 0.00 0.00 175.10 175.98 3i1s s LYS 119 N 1.53 3.59 -0.02 2.72 1.02 -1.26 -4.73 119.74 122.59 3i1s s LYS 119 Ca -0.01 2.11 -0.38 0.00 0.02 0.00 0.00 55.97 57.71 3i1s s LYS 119 Cb -0.16 -2.48 -0.17 0.00 -0.52 0.00 0.00 37.83 34.50 3i1s s LYS 119 CO -0.08 -0.79 1.41 -2.13 -0.92 0.00 0.00 175.35 172.85 3i1s n ARG 120 N -0.47 0.98 0.00 1.68 0.63 -1.26 -4.99 116.66 113.24 3i1s n ARG 120 Ca 0.07 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 3i1s n ARG 120 Cb 0.45 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.37 3i1s n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i1s n PRO 121 N 3.09 0.69 -3.89 -0.14 -0.04 -1.26 -5.12 135.00 128.33 3i1s n PRO 121 Ca 0.21 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 3i1s n PRO 121 Cb 0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.51 3i1s n PRO 121 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i1s s LYS 122 N -0.59 0.40 0.00 0.54 -2.85 -1.26 -5.28 119.74 110.70 3i1s s LYS 122 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 3i1s s LYS 122 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 3i1s s LYS 122 CO 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 175.35 175.36